USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1005 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: B 66 GLN : amide:sc= -0.192 K(o=0.53,f=-2.3!) USER MOD Set 1.2: B 67 SER OG : rot 14:sc= 0.72 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.02) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.501 K(o=0.5,f=-0.04) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 35 MET CE :methyl 162:sc= -0.19 (180deg=-0.738) USER MOD Single : A 36 CYS SG : rot 77:sc= 1.15 USER MOD Single : A 39 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0056) USER MOD Single : A 42 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 47 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.59) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot -4:sc= 0.826 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0098) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 0.881 (180deg=0.374) USER MOD Single : A 66 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.0061) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 26:sc= 0.128 USER MOD Single : B 9 ASN : amide:sc= -0.068 K(o=-0.068,f=-2) USER MOD Single : B 14 LYS NZ :NH3+ -174:sc= 1.86 (180deg=1.72) USER MOD Single : B 17 GLN : amide:sc= 0.445 K(o=0.45,f=-0.063) USER MOD Single : B 25 LYS NZ :NH3+ 177:sc= 2.46 (180deg=2.38) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.166 USER MOD Single : B 35 MET CE :methyl 158:sc= -0.0799 (180deg=-1.04) USER MOD Single : B 36 CYS SG : rot 77:sc= 1.19 USER MOD Single : B 39 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 42 THR OG1 : rot 68:sc= 0.94 USER MOD Single : B 43 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 47 GLN : amide:sc= 0.00132 X(o=0.0013,f=-0.41) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= 1.23 K(o=1.2,f=-0.048) USER MOD Single : B 61 THR OG1 : rot 1:sc= 1.16 USER MOD Single : B 62 LYS NZ :NH3+ -152:sc= 0.608 (180deg=-0.256!) USER MOD Single : B 65 LYS NZ :NH3+ -130:sc= 1.25 (180deg=0.854) USER MOD ----------------------------------------------------------------- ATOM 123 N SER A 8 -15.649 -10.744 0.233 1.00 0.00 N ATOM 124 CA SER A 8 -16.800 -9.947 0.606 1.00 0.00 C ATOM 125 C SER A 8 -16.511 -8.473 0.360 1.00 0.00 C ATOM 126 O SER A 8 -15.620 -7.900 0.990 1.00 0.00 O ATOM 127 CB SER A 8 -17.146 -10.186 2.080 1.00 0.00 C ATOM 128 OG SER A 8 -18.199 -9.339 2.506 1.00 0.00 O ATOM 0 HA SER A 8 -17.653 -10.242 -0.004 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.433 -11.228 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.264 -10.011 2.696 1.00 0.00 H new ATOM 0 HG SER A 8 -18.399 -9.515 3.449 1.00 0.00 H new ATOM 134 N ASN A 9 -17.262 -7.871 -0.556 1.00 0.00 N ATOM 135 CA ASN A 9 -17.080 -6.463 -0.909 1.00 0.00 C ATOM 136 C ASN A 9 -17.195 -5.582 0.328 1.00 0.00 C ATOM 137 O ASN A 9 -16.394 -4.666 0.530 1.00 0.00 O ATOM 138 CB ASN A 9 -18.116 -6.031 -1.952 1.00 0.00 C ATOM 139 CG ASN A 9 -18.045 -6.843 -3.233 1.00 0.00 C ATOM 140 OD1 ASN A 9 -17.284 -6.524 -4.145 1.00 0.00 O ATOM 141 ND2 ASN A 9 -18.855 -7.888 -3.320 1.00 0.00 N ATOM 0 H ASN A 9 -18.008 -8.338 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.083 -6.347 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.114 -6.124 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.968 -4.977 -2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.861 -8.459 -4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.472 -8.121 -2.542 1.00 0.00 H new ATOM 148 N GLU A 10 -18.187 -5.883 1.158 1.00 0.00 N ATOM 149 CA GLU A 10 -18.403 -5.159 2.404 1.00 0.00 C ATOM 150 C GLU A 10 -17.172 -5.254 3.297 1.00 0.00 C ATOM 151 O GLU A 10 -16.721 -4.257 3.861 1.00 0.00 O ATOM 152 CB GLU A 10 -19.621 -5.712 3.158 1.00 0.00 C ATOM 153 CG GLU A 10 -20.879 -5.854 2.309 1.00 0.00 C ATOM 154 CD GLU A 10 -20.913 -7.153 1.524 1.00 0.00 C ATOM 155 OE1 GLU A 10 -20.403 -7.182 0.387 1.00 0.00 O ATOM 156 OE2 GLU A 10 -21.446 -8.156 2.048 1.00 0.00 O ATOM 0 H GLU A 10 -18.860 -6.631 0.988 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.588 -4.115 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.365 -6.688 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.839 -5.056 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.756 -5.801 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.942 -5.014 1.617 1.00 0.00 H new ATOM 163 N ARG A 11 -16.620 -6.459 3.407 1.00 0.00 N ATOM 164 CA ARG A 11 -15.448 -6.684 4.239 1.00 0.00 C ATOM 165 C ARG A 11 -14.238 -5.952 3.675 1.00 0.00 C ATOM 166 O ARG A 11 -13.485 -5.333 4.417 1.00 0.00 O ATOM 167 CB ARG A 11 -15.141 -8.180 4.369 1.00 0.00 C ATOM 168 CG ARG A 11 -13.965 -8.464 5.283 1.00 0.00 C ATOM 169 CD ARG A 11 -13.740 -9.951 5.477 1.00 0.00 C ATOM 170 NE ARG A 11 -12.754 -10.209 6.524 1.00 0.00 N ATOM 171 CZ ARG A 11 -12.372 -11.423 6.916 1.00 0.00 C ATOM 172 NH1 ARG A 11 -12.875 -12.511 6.343 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.487 -11.543 7.894 1.00 0.00 N ATOM 0 H ARG A 11 -16.967 -7.292 2.930 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.667 -6.290 5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.023 -8.695 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.934 -8.590 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.065 -8.013 4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.137 -7.994 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.683 -10.432 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.403 -10.395 4.540 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.330 -9.405 6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.562 -12.422 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.574 -13.435 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.104 -10.710 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.189 -12.469 8.201 1.00 0.00 H new ATOM 187 N VAL A 12 -14.067 -6.018 2.358 1.00 0.00 N ATOM 188 CA VAL A 12 -12.949 -5.352 1.696 1.00 0.00 C ATOM 189 C VAL A 12 -12.954 -3.856 2.002 1.00 0.00 C ATOM 190 O VAL A 12 -11.931 -3.292 2.395 1.00 0.00 O ATOM 191 CB VAL A 12 -12.980 -5.560 0.163 1.00 0.00 C ATOM 192 CG1 VAL A 12 -11.865 -4.775 -0.513 1.00 0.00 C ATOM 193 CG2 VAL A 12 -12.870 -7.038 -0.181 1.00 0.00 C ATOM 0 H VAL A 12 -14.688 -6.526 1.728 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.036 -5.802 2.086 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.935 -5.188 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.907 -4.937 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.987 -3.713 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.901 -5.112 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.894 -7.162 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.932 -7.434 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.705 -7.578 0.265 1.00 0.00 H new ATOM 203 N GLU A 13 -14.115 -3.227 1.846 1.00 0.00 N ATOM 204 CA GLU A 13 -14.253 -1.805 2.131 1.00 0.00 C ATOM 205 C GLU A 13 -13.993 -1.517 3.606 1.00 0.00 C ATOM 206 O GLU A 13 -13.378 -0.505 3.950 1.00 0.00 O ATOM 207 CB GLU A 13 -15.639 -1.298 1.735 1.00 0.00 C ATOM 208 CG GLU A 13 -15.874 -1.272 0.234 1.00 0.00 C ATOM 209 CD GLU A 13 -17.228 -0.702 -0.126 1.00 0.00 C ATOM 210 OE1 GLU A 13 -17.442 0.508 0.088 1.00 0.00 O ATOM 211 OE2 GLU A 13 -18.086 -1.456 -0.624 1.00 0.00 O ATOM 0 H GLU A 13 -14.971 -3.679 1.525 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.508 -1.276 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.394 -1.931 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.776 -0.292 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.094 -0.679 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.792 -2.284 -0.162 1.00 0.00 H new ATOM 218 N LYS A 14 -14.457 -2.415 4.474 1.00 0.00 N ATOM 219 CA LYS A 14 -14.227 -2.281 5.906 1.00 0.00 C ATOM 220 C LYS A 14 -12.735 -2.351 6.220 1.00 0.00 C ATOM 221 O LYS A 14 -12.234 -1.581 7.031 1.00 0.00 O ATOM 222 CB LYS A 14 -14.970 -3.367 6.693 1.00 0.00 C ATOM 223 CG LYS A 14 -14.736 -3.274 8.194 1.00 0.00 C ATOM 224 CD LYS A 14 -15.356 -4.435 8.951 1.00 0.00 C ATOM 225 CE LYS A 14 -15.025 -4.353 10.435 1.00 0.00 C ATOM 226 NZ LYS A 14 -15.496 -5.546 11.185 1.00 0.00 N ATOM 0 H LYS A 14 -14.993 -3.241 4.208 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.612 -1.308 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.038 -3.289 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.650 -4.348 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.664 -3.247 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.152 -2.338 8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.437 -4.428 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.990 -5.377 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.947 -4.251 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.481 -3.458 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.248 -5.444 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.528 -5.631 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.042 -6.399 10.801 1.00 0.00 H new ATOM 240 N ILE A 15 -12.034 -3.276 5.571 1.00 0.00 N ATOM 241 CA ILE A 15 -10.594 -3.424 5.763 1.00 0.00 C ATOM 242 C ILE A 15 -9.863 -2.154 5.331 1.00 0.00 C ATOM 243 O ILE A 15 -9.000 -1.650 6.049 1.00 0.00 O ATOM 244 CB ILE A 15 -10.032 -4.634 4.981 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.689 -5.929 5.466 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.518 -4.714 5.140 1.00 0.00 C ATOM 247 CD1 ILE A 15 -10.268 -7.157 4.685 1.00 0.00 C ATOM 0 H ILE A 15 -12.440 -3.935 4.907 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.427 -3.598 6.826 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.261 -4.502 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.445 -6.077 6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.772 -5.822 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.138 -5.571 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.063 -3.801 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.268 -4.827 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.774 -8.035 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.537 -7.031 3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.189 -7.290 4.770 1.00 0.00 H new ATOM 259 N ILE A 16 -10.231 -1.635 4.165 1.00 0.00 N ATOM 260 CA ILE A 16 -9.653 -0.393 3.663 1.00 0.00 C ATOM 261 C ILE A 16 -9.900 0.744 4.653 1.00 0.00 C ATOM 262 O ILE A 16 -8.987 1.499 4.987 1.00 0.00 O ATOM 263 CB ILE A 16 -10.237 -0.014 2.282 1.00 0.00 C ATOM 264 CG1 ILE A 16 -9.972 -1.131 1.270 1.00 0.00 C ATOM 265 CG2 ILE A 16 -9.643 1.304 1.793 1.00 0.00 C ATOM 266 CD1 ILE A 16 -10.609 -0.895 -0.083 1.00 0.00 C ATOM 0 H ILE A 16 -10.927 -2.055 3.549 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.581 -0.551 3.549 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.315 0.114 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.896 -1.242 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.343 -2.072 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.065 1.555 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.877 2.095 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.561 1.205 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.376 -1.729 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.690 -0.814 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.220 0.028 -0.512 1.00 0.00 H new ATOM 278 N GLN A 17 -11.132 0.839 5.138 1.00 0.00 N ATOM 279 CA GLN A 17 -11.503 1.869 6.099 1.00 0.00 C ATOM 280 C GLN A 17 -10.759 1.668 7.420 1.00 0.00 C ATOM 281 O GLN A 17 -10.328 2.633 8.047 1.00 0.00 O ATOM 282 CB GLN A 17 -13.018 1.856 6.331 1.00 0.00 C ATOM 283 CG GLN A 17 -13.505 2.897 7.331 1.00 0.00 C ATOM 284 CD GLN A 17 -13.190 4.318 6.909 1.00 0.00 C ATOM 285 OE1 GLN A 17 -13.973 4.956 6.207 1.00 0.00 O ATOM 286 NE2 GLN A 17 -12.049 4.824 7.341 1.00 0.00 N ATOM 0 H GLN A 17 -11.894 0.212 4.880 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.220 2.840 5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.522 2.020 5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.312 0.867 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.582 2.793 7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.048 2.702 8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.428 4.260 7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.789 5.779 7.094 1.00 0.00 H new ATOM 295 N ASP A 18 -10.602 0.413 7.820 1.00 0.00 N ATOM 296 CA ASP A 18 -9.901 0.069 9.057 1.00 0.00 C ATOM 297 C ASP A 18 -8.443 0.518 8.969 1.00 0.00 C ATOM 298 O ASP A 18 -7.879 1.057 9.928 1.00 0.00 O ATOM 299 CB ASP A 18 -9.985 -1.447 9.298 1.00 0.00 C ATOM 300 CG ASP A 18 -9.786 -1.844 10.752 1.00 0.00 C ATOM 301 OD1 ASP A 18 -9.762 -0.952 11.626 1.00 0.00 O ATOM 302 OD2 ASP A 18 -9.688 -3.062 11.031 1.00 0.00 O ATOM 0 H ASP A 18 -10.953 -0.393 7.302 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.373 0.582 9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.957 -1.807 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.232 -1.946 8.688 1.00 0.00 H new ATOM 307 N LEU A 19 -7.847 0.318 7.796 1.00 0.00 N ATOM 308 CA LEU A 19 -6.494 0.790 7.524 1.00 0.00 C ATOM 309 C LEU A 19 -6.446 2.315 7.531 1.00 0.00 C ATOM 310 O LEU A 19 -5.528 2.917 8.091 1.00 0.00 O ATOM 311 CB LEU A 19 -6.003 0.261 6.172 1.00 0.00 C ATOM 312 CG LEU A 19 -5.845 -1.257 6.085 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.548 -1.677 4.655 1.00 0.00 C ATOM 314 CD2 LEU A 19 -4.738 -1.728 7.015 1.00 0.00 C ATOM 0 H LEU A 19 -8.284 -0.171 7.015 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.839 0.414 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.701 0.582 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.042 0.724 5.946 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.781 -1.721 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.438 -2.760 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.368 -1.368 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.624 -1.204 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.638 -2.811 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.798 -1.256 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.984 -1.455 8.041 1.00 0.00 H new ATOM 326 N LEU A 20 -7.444 2.932 6.907 1.00 0.00 N ATOM 327 CA LEU A 20 -7.554 4.387 6.885 1.00 0.00 C ATOM 328 C LEU A 20 -7.710 4.935 8.298 1.00 0.00 C ATOM 329 O LEU A 20 -7.202 6.010 8.615 1.00 0.00 O ATOM 330 CB LEU A 20 -8.736 4.830 6.018 1.00 0.00 C ATOM 331 CG LEU A 20 -8.608 4.516 4.525 1.00 0.00 C ATOM 332 CD1 LEU A 20 -9.874 4.925 3.788 1.00 0.00 C ATOM 333 CD2 LEU A 20 -7.395 5.219 3.932 1.00 0.00 C ATOM 0 H LEU A 20 -8.190 2.446 6.409 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.637 4.787 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.641 4.354 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.869 5.905 6.136 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.471 3.441 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.768 4.696 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.725 4.378 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.038 5.995 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.321 4.984 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.501 6.296 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.493 4.881 4.442 1.00 0.00 H new ATOM 345 N ASP A 21 -8.413 4.187 9.142 1.00 0.00 N ATOM 346 CA ASP A 21 -8.570 4.551 10.545 1.00 0.00 C ATOM 347 C ASP A 21 -7.212 4.644 11.220 1.00 0.00 C ATOM 348 O ASP A 21 -6.952 5.575 11.974 1.00 0.00 O ATOM 349 CB ASP A 21 -9.446 3.543 11.293 1.00 0.00 C ATOM 350 CG ASP A 21 -10.926 3.748 11.050 1.00 0.00 C ATOM 351 OD1 ASP A 21 -11.401 4.894 11.193 1.00 0.00 O ATOM 352 OD2 ASP A 21 -11.627 2.762 10.732 1.00 0.00 O ATOM 0 H ASP A 21 -8.884 3.322 8.877 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.062 5.523 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.170 2.534 10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.245 3.619 12.362 1.00 0.00 H new ATOM 357 N VAL A 22 -6.346 3.678 10.935 1.00 0.00 N ATOM 358 CA VAL A 22 -4.991 3.680 11.480 1.00 0.00 C ATOM 359 C VAL A 22 -4.227 4.923 11.024 1.00 0.00 C ATOM 360 O VAL A 22 -3.550 5.579 11.816 1.00 0.00 O ATOM 361 CB VAL A 22 -4.206 2.421 11.052 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.792 2.442 11.613 1.00 0.00 C ATOM 363 CG2 VAL A 22 -4.935 1.158 11.486 1.00 0.00 C ATOM 0 H VAL A 22 -6.557 2.884 10.331 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.083 3.684 12.566 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.138 2.422 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.262 1.544 11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.267 3.323 11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.833 2.474 12.702 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.364 0.283 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.042 1.154 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.922 1.131 11.024 1.00 0.00 H new ATOM 373 N LEU A 23 -4.365 5.249 9.746 1.00 0.00 N ATOM 374 CA LEU A 23 -3.679 6.398 9.164 1.00 0.00 C ATOM 375 C LEU A 23 -4.120 7.705 9.827 1.00 0.00 C ATOM 376 O LEU A 23 -3.296 8.577 10.112 1.00 0.00 O ATOM 377 CB LEU A 23 -3.936 6.451 7.656 1.00 0.00 C ATOM 378 CG LEU A 23 -3.450 5.227 6.873 1.00 0.00 C ATOM 379 CD1 LEU A 23 -3.784 5.371 5.399 1.00 0.00 C ATOM 380 CD2 LEU A 23 -1.952 5.028 7.063 1.00 0.00 C ATOM 0 H LEU A 23 -4.949 4.732 9.088 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.610 6.281 9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.007 6.569 7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.451 7.339 7.251 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.965 4.347 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.431 4.493 4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.863 5.463 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.297 6.261 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.627 4.154 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.420 5.909 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.736 4.878 8.121 1.00 0.00 H new ATOM 392 N VAL A 24 -5.416 7.833 10.080 1.00 0.00 N ATOM 393 CA VAL A 24 -5.954 9.019 10.742 1.00 0.00 C ATOM 394 C VAL A 24 -5.630 8.992 12.237 1.00 0.00 C ATOM 395 O VAL A 24 -5.397 10.031 12.856 1.00 0.00 O ATOM 396 CB VAL A 24 -7.483 9.130 10.544 1.00 0.00 C ATOM 397 CG1 VAL A 24 -8.036 10.357 11.249 1.00 0.00 C ATOM 398 CG2 VAL A 24 -7.829 9.168 9.063 1.00 0.00 C ATOM 0 H VAL A 24 -6.116 7.132 9.838 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.483 9.890 10.287 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.945 8.247 10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.114 10.411 11.094 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.826 10.289 12.316 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.566 11.253 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.910 9.246 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.349 10.030 8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.476 8.255 8.583 1.00 0.00 H new ATOM 408 N LYS A 25 -5.595 7.787 12.791 1.00 0.00 N ATOM 409 CA LYS A 25 -5.290 7.573 14.203 1.00 0.00 C ATOM 410 C LYS A 25 -3.895 8.102 14.537 1.00 0.00 C ATOM 411 O LYS A 25 -3.681 8.710 15.587 1.00 0.00 O ATOM 412 CB LYS A 25 -5.378 6.076 14.510 1.00 0.00 C ATOM 413 CG LYS A 25 -5.476 5.728 15.987 1.00 0.00 C ATOM 414 CD LYS A 25 -5.600 4.222 16.187 1.00 0.00 C ATOM 415 CE LYS A 25 -6.773 3.646 15.402 1.00 0.00 C ATOM 416 NZ LYS A 25 -6.868 2.165 15.540 1.00 0.00 N ATOM 0 H LYS A 25 -5.778 6.927 12.274 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.011 8.115 14.815 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.248 5.666 13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.500 5.583 14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.594 6.096 16.510 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.339 6.229 16.426 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.677 3.735 15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.729 4.005 17.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.700 4.102 15.750 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.666 3.905 14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.679 1.816 14.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.995 1.726 15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.997 1.917 16.542 1.00 0.00 H new ATOM 430 N GLU A 26 -2.957 7.875 13.624 1.00 0.00 N ATOM 431 CA GLU A 26 -1.585 8.340 13.794 1.00 0.00 C ATOM 432 C GLU A 26 -1.415 9.753 13.233 1.00 0.00 C ATOM 433 O GLU A 26 -0.366 10.376 13.406 1.00 0.00 O ATOM 434 CB GLU A 26 -0.609 7.396 13.083 1.00 0.00 C ATOM 435 CG GLU A 26 -0.610 5.971 13.613 1.00 0.00 C ATOM 436 CD GLU A 26 -0.108 5.866 15.039 1.00 0.00 C ATOM 437 OE1 GLU A 26 1.024 6.310 15.313 1.00 0.00 O ATOM 438 OE2 GLU A 26 -0.843 5.339 15.895 1.00 0.00 O ATOM 0 H GLU A 26 -3.123 7.369 12.754 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.368 8.352 14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.852 7.375 12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.399 7.802 13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.623 5.571 13.560 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.012 5.350 12.969 1.00 0.00 H new ATOM 445 N GLU A 27 -2.458 10.245 12.567 1.00 0.00 N ATOM 446 CA GLU A 27 -2.413 11.528 11.860 1.00 0.00 C ATOM 447 C GLU A 27 -1.221 11.581 10.912 1.00 0.00 C ATOM 448 O GLU A 27 -0.407 12.507 10.960 1.00 0.00 O ATOM 449 CB GLU A 27 -2.363 12.709 12.833 1.00 0.00 C ATOM 450 CG GLU A 27 -3.574 12.806 13.740 1.00 0.00 C ATOM 451 CD GLU A 27 -3.775 14.205 14.278 1.00 0.00 C ATOM 452 OE1 GLU A 27 -2.875 14.722 14.975 1.00 0.00 O ATOM 453 OE2 GLU A 27 -4.829 14.807 13.985 1.00 0.00 O ATOM 0 H GLU A 27 -3.357 9.768 12.501 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.332 11.609 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.467 12.624 13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.272 13.634 12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.463 12.499 13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.459 12.112 14.572 1.00 0.00 H new ATOM 460 N VAL A 28 -1.120 10.576 10.057 1.00 0.00 N ATOM 461 CA VAL A 28 -0.001 10.476 9.134 1.00 0.00 C ATOM 462 C VAL A 28 -0.063 11.553 8.056 1.00 0.00 C ATOM 463 O VAL A 28 -1.130 11.873 7.527 1.00 0.00 O ATOM 464 CB VAL A 28 0.073 9.085 8.465 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.261 8.001 9.512 1.00 0.00 C ATOM 466 CG2 VAL A 28 -1.170 8.812 7.629 1.00 0.00 C ATOM 0 H VAL A 28 -1.799 9.818 9.983 1.00 0.00 H new ATOM 0 HA VAL A 28 0.899 10.624 9.730 1.00 0.00 H new ATOM 0 HB VAL A 28 0.935 9.077 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.311 7.028 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.186 8.180 10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.579 8.016 10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.091 7.827 7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.053 8.845 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.258 9.569 6.850 1.00 0.00 H new ATOM 476 N THR A 29 1.087 12.129 7.764 1.00 0.00 N ATOM 477 CA THR A 29 1.225 13.084 6.684 1.00 0.00 C ATOM 478 C THR A 29 1.416 12.323 5.368 1.00 0.00 C ATOM 479 O THR A 29 1.916 11.201 5.391 1.00 0.00 O ATOM 480 CB THR A 29 2.440 13.993 6.953 1.00 0.00 C ATOM 481 OG1 THR A 29 2.933 13.742 8.277 1.00 0.00 O ATOM 482 CG2 THR A 29 2.074 15.466 6.833 1.00 0.00 C ATOM 0 H THR A 29 1.953 11.947 8.271 1.00 0.00 H new ATOM 0 HA THR A 29 0.331 13.703 6.617 1.00 0.00 H new ATOM 0 HB THR A 29 3.203 13.767 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.707 14.317 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.955 16.077 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.708 15.669 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.296 15.708 7.557 1.00 0.00 H new ATOM 490 N PRO A 30 0.988 12.894 4.220 1.00 0.00 N ATOM 491 CA PRO A 30 1.157 12.290 2.891 1.00 0.00 C ATOM 492 C PRO A 30 2.482 11.534 2.725 1.00 0.00 C ATOM 493 O PRO A 30 2.485 10.333 2.443 1.00 0.00 O ATOM 494 CB PRO A 30 1.106 13.501 1.941 1.00 0.00 C ATOM 495 CG PRO A 30 0.768 14.692 2.792 1.00 0.00 C ATOM 496 CD PRO A 30 0.270 14.161 4.106 1.00 0.00 C ATOM 0 HA PRO A 30 0.393 11.537 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.063 13.641 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.356 13.354 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.644 15.324 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.008 15.307 2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.501 14.835 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.811 14.018 4.104 1.00 0.00 H new ATOM 504 N ASP A 31 3.592 12.245 2.915 1.00 0.00 N ATOM 505 CA ASP A 31 4.930 11.656 2.820 1.00 0.00 C ATOM 506 C ASP A 31 5.065 10.438 3.731 1.00 0.00 C ATOM 507 O ASP A 31 5.457 9.355 3.287 1.00 0.00 O ATOM 508 CB ASP A 31 5.996 12.693 3.200 1.00 0.00 C ATOM 509 CG ASP A 31 6.133 13.809 2.181 1.00 0.00 C ATOM 510 OD1 ASP A 31 5.164 14.571 1.989 1.00 0.00 O ATOM 511 OD2 ASP A 31 7.223 13.936 1.579 1.00 0.00 O ATOM 0 H ASP A 31 3.592 13.240 3.138 1.00 0.00 H new ATOM 0 HA ASP A 31 5.078 11.338 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.746 13.124 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.958 12.192 3.312 1.00 0.00 H new ATOM 516 N LEU A 32 4.729 10.631 5.004 1.00 0.00 N ATOM 517 CA LEU A 32 4.822 9.577 6.011 1.00 0.00 C ATOM 518 C LEU A 32 3.951 8.379 5.641 1.00 0.00 C ATOM 519 O LEU A 32 4.387 7.230 5.741 1.00 0.00 O ATOM 520 CB LEU A 32 4.398 10.128 7.378 1.00 0.00 C ATOM 521 CG LEU A 32 4.413 9.125 8.537 1.00 0.00 C ATOM 522 CD1 LEU A 32 5.817 8.595 8.782 1.00 0.00 C ATOM 523 CD2 LEU A 32 3.865 9.776 9.795 1.00 0.00 C ATOM 0 H LEU A 32 4.385 11.520 5.366 1.00 0.00 H new ATOM 0 HA LEU A 32 5.858 9.240 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.056 10.959 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.391 10.535 7.288 1.00 0.00 H new ATOM 0 HG LEU A 32 3.778 8.281 8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.799 7.886 9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.179 8.095 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.481 9.424 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.879 9.056 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.481 10.636 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.841 10.104 9.618 1.00 0.00 H new ATOM 535 N ALA A 33 2.727 8.659 5.208 1.00 0.00 N ATOM 536 CA ALA A 33 1.768 7.617 4.858 1.00 0.00 C ATOM 537 C ALA A 33 2.299 6.736 3.735 1.00 0.00 C ATOM 538 O ALA A 33 2.292 5.511 3.847 1.00 0.00 O ATOM 539 CB ALA A 33 0.436 8.233 4.457 1.00 0.00 C ATOM 0 H ALA A 33 2.373 9.608 5.090 1.00 0.00 H new ATOM 0 HA ALA A 33 1.617 6.992 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.268 7.442 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.039 8.815 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.581 8.885 3.595 1.00 0.00 H new ATOM 545 N LEU A 34 2.774 7.365 2.665 1.00 0.00 N ATOM 546 CA LEU A 34 3.292 6.636 1.511 1.00 0.00 C ATOM 547 C LEU A 34 4.459 5.739 1.914 1.00 0.00 C ATOM 548 O LEU A 34 4.537 4.584 1.499 1.00 0.00 O ATOM 549 CB LEU A 34 3.731 7.611 0.413 1.00 0.00 C ATOM 550 CG LEU A 34 2.614 8.477 -0.174 1.00 0.00 C ATOM 551 CD1 LEU A 34 3.178 9.443 -1.202 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.534 7.606 -0.800 1.00 0.00 C ATOM 0 H LEU A 34 2.811 8.380 2.572 1.00 0.00 H new ATOM 0 HA LEU A 34 2.492 6.006 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.502 8.266 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.190 7.041 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 34 2.165 9.053 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.371 10.052 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.916 10.090 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.652 8.882 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.749 8.240 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.969 7.003 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.110 6.950 -0.040 1.00 0.00 H new ATOM 564 N MET A 35 5.348 6.273 2.746 1.00 0.00 N ATOM 565 CA MET A 35 6.513 5.523 3.207 1.00 0.00 C ATOM 566 C MET A 35 6.091 4.284 3.998 1.00 0.00 C ATOM 567 O MET A 35 6.628 3.192 3.798 1.00 0.00 O ATOM 568 CB MET A 35 7.413 6.417 4.068 1.00 0.00 C ATOM 569 CG MET A 35 8.620 5.691 4.649 1.00 0.00 C ATOM 570 SD MET A 35 9.746 6.790 5.537 1.00 0.00 S ATOM 571 CE MET A 35 8.651 7.473 6.776 1.00 0.00 C ATOM 0 H MET A 35 5.285 7.222 3.115 1.00 0.00 H new ATOM 0 HA MET A 35 7.072 5.194 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.760 7.256 3.465 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.823 6.833 4.884 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.275 4.909 5.326 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.163 5.198 3.843 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.241 7.908 7.583 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.028 8.245 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.016 6.682 7.176 1.00 0.00 H new ATOM 581 N CYS A 36 5.119 4.454 4.886 1.00 0.00 N ATOM 582 CA CYS A 36 4.645 3.354 5.718 1.00 0.00 C ATOM 583 C CYS A 36 3.905 2.316 4.876 1.00 0.00 C ATOM 584 O CYS A 36 4.176 1.117 4.976 1.00 0.00 O ATOM 585 CB CYS A 36 3.733 3.885 6.823 1.00 0.00 C ATOM 586 SG CYS A 36 4.498 5.156 7.855 1.00 0.00 S ATOM 0 H CYS A 36 4.644 5.342 5.049 1.00 0.00 H new ATOM 0 HA CYS A 36 5.510 2.871 6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.830 4.294 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.424 3.054 7.457 1.00 0.00 H new ATOM 0 HG CYS A 36 4.506 6.288 7.215 1.00 0.00 H new ATOM 592 N LEU A 37 2.987 2.786 4.035 1.00 0.00 N ATOM 593 CA LEU A 37 2.207 1.901 3.176 1.00 0.00 C ATOM 594 C LEU A 37 3.116 1.124 2.228 1.00 0.00 C ATOM 595 O LEU A 37 2.938 -0.078 2.036 1.00 0.00 O ATOM 596 CB LEU A 37 1.175 2.703 2.375 1.00 0.00 C ATOM 597 CG LEU A 37 0.068 3.359 3.209 1.00 0.00 C ATOM 598 CD1 LEU A 37 -0.785 4.274 2.345 1.00 0.00 C ATOM 599 CD2 LEU A 37 -0.799 2.300 3.873 1.00 0.00 C ATOM 0 H LEU A 37 2.765 3.776 3.931 1.00 0.00 H new ATOM 0 HA LEU A 37 1.683 1.189 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.696 3.481 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.712 2.041 1.643 1.00 0.00 H new ATOM 0 HG LEU A 37 0.539 3.960 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.564 4.729 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.159 5.055 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.244 3.694 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.579 2.784 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.257 1.673 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.183 1.683 4.527 1.00 0.00 H new ATOM 611 N GLY A 38 4.104 1.816 1.664 1.00 0.00 N ATOM 612 CA GLY A 38 5.025 1.190 0.734 1.00 0.00 C ATOM 613 C GLY A 38 5.769 0.016 1.340 1.00 0.00 C ATOM 614 O GLY A 38 5.893 -1.036 0.712 1.00 0.00 O ATOM 0 H GLY A 38 4.282 2.805 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.473 0.851 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.746 1.932 0.390 1.00 0.00 H new ATOM 618 N ASN A 39 6.246 0.182 2.569 1.00 0.00 N ATOM 619 CA ASN A 39 6.993 -0.879 3.240 1.00 0.00 C ATOM 620 C ASN A 39 6.099 -2.074 3.538 1.00 0.00 C ATOM 621 O ASN A 39 6.535 -3.223 3.441 1.00 0.00 O ATOM 622 CB ASN A 39 7.642 -0.376 4.530 1.00 0.00 C ATOM 623 CG ASN A 39 8.960 0.333 4.284 1.00 0.00 C ATOM 624 OD1 ASN A 39 10.018 -0.298 4.241 1.00 0.00 O ATOM 625 ND2 ASN A 39 8.912 1.646 4.122 1.00 0.00 N ATOM 0 H ASN A 39 6.131 1.034 3.118 1.00 0.00 H new ATOM 0 HA ASN A 39 7.784 -1.196 2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.957 0.305 5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.807 -1.219 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.770 2.171 3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.017 2.133 4.164 1.00 0.00 H new ATOM 632 N ALA A 40 4.847 -1.802 3.883 1.00 0.00 N ATOM 633 CA ALA A 40 3.883 -2.860 4.161 1.00 0.00 C ATOM 634 C ALA A 40 3.625 -3.693 2.908 1.00 0.00 C ATOM 635 O ALA A 40 3.652 -4.926 2.952 1.00 0.00 O ATOM 636 CB ALA A 40 2.584 -2.271 4.692 1.00 0.00 C ATOM 0 H ALA A 40 4.475 -0.857 3.977 1.00 0.00 H new ATOM 0 HA ALA A 40 4.300 -3.515 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.876 -3.075 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.783 -1.722 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.162 -1.593 3.950 1.00 0.00 H new ATOM 642 N VAL A 41 3.390 -3.009 1.792 1.00 0.00 N ATOM 643 CA VAL A 41 3.170 -3.677 0.515 1.00 0.00 C ATOM 644 C VAL A 41 4.395 -4.499 0.123 1.00 0.00 C ATOM 645 O VAL A 41 4.290 -5.689 -0.177 1.00 0.00 O ATOM 646 CB VAL A 41 2.873 -2.664 -0.614 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.580 -3.383 -1.919 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.716 -1.752 -0.246 1.00 0.00 C ATOM 0 H VAL A 41 3.347 -1.991 1.747 1.00 0.00 H new ATOM 0 HA VAL A 41 2.306 -4.330 0.641 1.00 0.00 H new ATOM 0 HB VAL A 41 3.762 -2.048 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.374 -2.651 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.443 -3.985 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.713 -4.031 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.532 -1.051 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.822 -2.351 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.963 -1.199 0.660 1.00 0.00 H new ATOM 658 N THR A 42 5.557 -3.856 0.164 1.00 0.00 N ATOM 659 CA THR A 42 6.811 -4.485 -0.236 1.00 0.00 C ATOM 660 C THR A 42 7.094 -5.754 0.574 1.00 0.00 C ATOM 661 O THR A 42 7.720 -6.694 0.079 1.00 0.00 O ATOM 662 CB THR A 42 7.984 -3.493 -0.082 1.00 0.00 C ATOM 663 OG1 THR A 42 7.696 -2.290 -0.804 1.00 0.00 O ATOM 664 CG2 THR A 42 9.287 -4.088 -0.597 1.00 0.00 C ATOM 0 H THR A 42 5.656 -2.889 0.474 1.00 0.00 H new ATOM 0 HA THR A 42 6.712 -4.770 -1.284 1.00 0.00 H new ATOM 0 HB THR A 42 8.102 -3.275 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.228 -1.660 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.092 -3.363 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.522 -4.991 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.181 -4.336 -1.653 1.00 0.00 H new ATOM 672 N ASN A 43 6.621 -5.791 1.810 1.00 0.00 N ATOM 673 CA ASN A 43 6.866 -6.930 2.683 1.00 0.00 C ATOM 674 C ASN A 43 5.986 -8.120 2.302 1.00 0.00 C ATOM 675 O ASN A 43 6.474 -9.245 2.180 1.00 0.00 O ATOM 676 CB ASN A 43 6.621 -6.543 4.143 1.00 0.00 C ATOM 677 CG ASN A 43 6.983 -7.653 5.114 1.00 0.00 C ATOM 678 OD1 ASN A 43 7.892 -8.449 4.862 1.00 0.00 O ATOM 679 ND2 ASN A 43 6.278 -7.709 6.233 1.00 0.00 N ATOM 0 H ASN A 43 6.066 -5.046 2.232 1.00 0.00 H new ATOM 0 HA ASN A 43 7.908 -7.226 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.204 -5.653 4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.571 -6.280 4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.478 -8.430 6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.535 -7.031 6.402 1.00 0.00 H new ATOM 686 N ILE A 44 4.694 -7.875 2.087 1.00 0.00 N ATOM 687 CA ILE A 44 3.757 -8.968 1.834 1.00 0.00 C ATOM 688 C ILE A 44 3.922 -9.533 0.419 1.00 0.00 C ATOM 689 O ILE A 44 3.643 -10.708 0.177 1.00 0.00 O ATOM 690 CB ILE A 44 2.280 -8.559 2.086 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.390 -9.805 2.106 1.00 0.00 C ATOM 692 CG2 ILE A 44 1.786 -7.571 1.037 1.00 0.00 C ATOM 693 CD1 ILE A 44 -0.037 -9.534 2.526 1.00 0.00 C ATOM 0 H ILE A 44 4.277 -6.944 2.083 1.00 0.00 H new ATOM 0 HA ILE A 44 4.004 -9.751 2.551 1.00 0.00 H new ATOM 0 HB ILE A 44 2.227 -8.063 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.387 -10.253 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.825 -10.539 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.749 -7.307 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.402 -6.672 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.853 -8.026 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.603 -10.466 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.047 -9.116 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.492 -8.825 1.834 1.00 0.00 H new ATOM 705 N ILE A 45 4.406 -8.712 -0.510 1.00 0.00 N ATOM 706 CA ILE A 45 4.668 -9.180 -1.870 1.00 0.00 C ATOM 707 C ILE A 45 5.791 -10.218 -1.867 1.00 0.00 C ATOM 708 O ILE A 45 5.815 -11.128 -2.693 1.00 0.00 O ATOM 709 CB ILE A 45 5.033 -8.017 -2.822 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.872 -7.027 -2.926 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.391 -8.542 -4.207 1.00 0.00 C ATOM 712 CD1 ILE A 45 4.164 -5.841 -3.821 1.00 0.00 C ATOM 0 H ILE A 45 4.623 -7.728 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 45 3.749 -9.637 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 45 5.902 -7.504 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.993 -7.549 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.623 -6.666 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.644 -7.706 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.245 -9.215 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.540 -9.082 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.296 -5.182 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.023 -5.294 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.383 -6.192 -4.830 1.00 0.00 H new ATOM 724 N ALA A 46 6.701 -10.094 -0.906 1.00 0.00 N ATOM 725 CA ALA A 46 7.814 -11.030 -0.776 1.00 0.00 C ATOM 726 C ALA A 46 7.325 -12.396 -0.310 1.00 0.00 C ATOM 727 O ALA A 46 8.000 -13.406 -0.492 1.00 0.00 O ATOM 728 CB ALA A 46 8.851 -10.489 0.192 1.00 0.00 C ATOM 0 H ALA A 46 6.690 -9.354 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 46 8.274 -11.146 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.674 -11.199 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.230 -9.536 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.394 -10.343 1.171 1.00 0.00 H new ATOM 734 N GLN A 47 6.149 -12.412 0.298 1.00 0.00 N ATOM 735 CA GLN A 47 5.546 -13.649 0.772 1.00 0.00 C ATOM 736 C GLN A 47 4.913 -14.399 -0.394 1.00 0.00 C ATOM 737 O GLN A 47 4.750 -15.621 -0.358 1.00 0.00 O ATOM 738 CB GLN A 47 4.500 -13.340 1.841 1.00 0.00 C ATOM 739 CG GLN A 47 5.057 -12.545 3.011 1.00 0.00 C ATOM 740 CD GLN A 47 3.990 -12.130 4.004 1.00 0.00 C ATOM 741 OE1 GLN A 47 2.992 -12.822 4.189 1.00 0.00 O ATOM 742 NE2 GLN A 47 4.191 -10.989 4.646 1.00 0.00 N ATOM 0 H GLN A 47 5.590 -11.577 0.476 1.00 0.00 H new ATOM 0 HA GLN A 47 6.318 -14.280 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.681 -12.782 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.082 -14.276 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.811 -13.143 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.560 -11.655 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.033 -10.443 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.504 -10.656 5.322 1.00 0.00 H new ATOM 751 N VAL A 48 4.571 -13.648 -1.432 1.00 0.00 N ATOM 752 CA VAL A 48 4.007 -14.213 -2.646 1.00 0.00 C ATOM 753 C VAL A 48 5.094 -14.960 -3.415 1.00 0.00 C ATOM 754 O VAL A 48 6.220 -14.473 -3.526 1.00 0.00 O ATOM 755 CB VAL A 48 3.418 -13.107 -3.552 1.00 0.00 C ATOM 756 CG1 VAL A 48 2.634 -13.695 -4.713 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.550 -12.154 -2.747 1.00 0.00 C ATOM 0 H VAL A 48 4.677 -12.634 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 48 3.207 -14.897 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 48 4.254 -12.545 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.235 -12.888 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.292 -14.320 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.812 -14.299 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.147 -11.385 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.729 -12.707 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.150 -11.686 -1.967 1.00 0.00 H new ATOM 767 N PRO A 49 4.779 -16.163 -3.924 1.00 0.00 N ATOM 768 CA PRO A 49 5.717 -16.959 -4.719 1.00 0.00 C ATOM 769 C PRO A 49 6.256 -16.174 -5.910 1.00 0.00 C ATOM 770 O PRO A 49 5.510 -15.455 -6.576 1.00 0.00 O ATOM 771 CB PRO A 49 4.885 -18.158 -5.197 1.00 0.00 C ATOM 772 CG PRO A 49 3.464 -17.828 -4.882 1.00 0.00 C ATOM 773 CD PRO A 49 3.493 -16.844 -3.749 1.00 0.00 C ATOM 0 HA PRO A 49 6.592 -17.252 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.019 -18.324 -6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.194 -19.073 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.963 -17.403 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.911 -18.725 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.658 -16.146 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.431 -17.343 -2.782 1.00 0.00 H new ATOM 781 N GLU A 50 7.554 -16.331 -6.172 1.00 0.00 N ATOM 782 CA GLU A 50 8.261 -15.564 -7.202 1.00 0.00 C ATOM 783 C GLU A 50 7.568 -15.638 -8.557 1.00 0.00 C ATOM 784 O GLU A 50 7.548 -14.658 -9.301 1.00 0.00 O ATOM 785 CB GLU A 50 9.696 -16.072 -7.337 1.00 0.00 C ATOM 786 CG GLU A 50 10.481 -16.007 -6.042 1.00 0.00 C ATOM 787 CD GLU A 50 11.896 -16.512 -6.196 1.00 0.00 C ATOM 788 OE1 GLU A 50 12.107 -17.738 -6.117 1.00 0.00 O ATOM 789 OE2 GLU A 50 12.807 -15.682 -6.397 1.00 0.00 O ATOM 0 H GLU A 50 8.148 -16.995 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 50 8.259 -14.521 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.677 -17.103 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.212 -15.484 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.503 -14.977 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.969 -16.596 -5.281 1.00 0.00 H new ATOM 796 N SER A 51 6.987 -16.793 -8.855 1.00 0.00 N ATOM 797 CA SER A 51 6.312 -17.022 -10.128 1.00 0.00 C ATOM 798 C SER A 51 5.238 -15.961 -10.393 1.00 0.00 C ATOM 799 O SER A 51 4.967 -15.614 -11.542 1.00 0.00 O ATOM 800 CB SER A 51 5.689 -18.420 -10.130 1.00 0.00 C ATOM 801 OG SER A 51 5.208 -18.787 -11.414 1.00 0.00 O ATOM 0 H SER A 51 6.970 -17.595 -8.225 1.00 0.00 H new ATOM 0 HA SER A 51 7.050 -16.949 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.430 -19.147 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.869 -18.452 -9.413 1.00 0.00 H new ATOM 0 HG SER A 51 4.820 -19.686 -11.373 1.00 0.00 H new ATOM 807 N LYS A 52 4.646 -15.436 -9.328 1.00 0.00 N ATOM 808 CA LYS A 52 3.594 -14.436 -9.456 1.00 0.00 C ATOM 809 C LYS A 52 3.934 -13.176 -8.661 1.00 0.00 C ATOM 810 O LYS A 52 3.158 -12.223 -8.628 1.00 0.00 O ATOM 811 CB LYS A 52 2.259 -15.032 -8.992 1.00 0.00 C ATOM 812 CG LYS A 52 2.321 -15.645 -7.600 1.00 0.00 C ATOM 813 CD LYS A 52 1.055 -16.411 -7.248 1.00 0.00 C ATOM 814 CE LYS A 52 -0.160 -15.502 -7.145 1.00 0.00 C ATOM 815 NZ LYS A 52 -1.331 -16.216 -6.571 1.00 0.00 N ATOM 0 H LYS A 52 4.876 -15.686 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 52 3.509 -14.148 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.498 -14.252 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.944 -15.795 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.178 -16.316 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.482 -14.856 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.872 -17.174 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.199 -16.930 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.082 -14.640 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.415 -15.121 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.141 -15.566 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.577 -17.024 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.096 -16.558 -5.617 1.00 0.00 H new ATOM 829 N ARG A 53 5.111 -13.169 -8.040 1.00 0.00 N ATOM 830 CA ARG A 53 5.538 -12.050 -7.207 1.00 0.00 C ATOM 831 C ARG A 53 5.808 -10.814 -8.053 1.00 0.00 C ATOM 832 O ARG A 53 5.562 -9.687 -7.626 1.00 0.00 O ATOM 833 CB ARG A 53 6.798 -12.424 -6.425 1.00 0.00 C ATOM 834 CG ARG A 53 7.307 -11.319 -5.516 1.00 0.00 C ATOM 835 CD ARG A 53 8.596 -11.717 -4.820 1.00 0.00 C ATOM 836 NE ARG A 53 8.426 -12.913 -3.998 1.00 0.00 N ATOM 837 CZ ARG A 53 9.429 -13.693 -3.601 1.00 0.00 C ATOM 838 NH1 ARG A 53 10.679 -13.381 -3.920 1.00 0.00 N ATOM 839 NH2 ARG A 53 9.179 -14.779 -2.882 1.00 0.00 N ATOM 0 H ARG A 53 5.788 -13.930 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 53 4.733 -11.823 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.592 -13.310 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.585 -12.693 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.473 -10.414 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.548 -11.082 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.370 -11.896 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.940 -10.893 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 53 7.481 -13.166 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.871 -12.543 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.447 -13.979 -3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.219 -15.016 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.947 -15.377 -2.578 1.00 0.00 H new ATOM 853 N VAL A 54 6.311 -11.028 -9.254 1.00 0.00 N ATOM 854 CA VAL A 54 6.606 -9.923 -10.147 1.00 0.00 C ATOM 855 C VAL A 54 5.310 -9.387 -10.746 1.00 0.00 C ATOM 856 O VAL A 54 5.111 -8.179 -10.850 1.00 0.00 O ATOM 857 CB VAL A 54 7.568 -10.347 -11.276 1.00 0.00 C ATOM 858 CG1 VAL A 54 8.037 -9.138 -12.065 1.00 0.00 C ATOM 859 CG2 VAL A 54 8.756 -11.113 -10.716 1.00 0.00 C ATOM 0 H VAL A 54 6.523 -11.951 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 54 7.096 -9.142 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 54 7.025 -11.008 -11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.714 -9.460 -12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.176 -8.635 -12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.558 -8.449 -11.400 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.420 -11.401 -11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.298 -10.481 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.403 -12.007 -10.202 1.00 0.00 H new ATOM 869 N ALA A 55 4.421 -10.304 -11.103 1.00 0.00 N ATOM 870 CA ALA A 55 3.135 -9.949 -11.689 1.00 0.00 C ATOM 871 C ALA A 55 2.303 -9.082 -10.746 1.00 0.00 C ATOM 872 O ALA A 55 1.725 -8.079 -11.165 1.00 0.00 O ATOM 873 CB ALA A 55 2.363 -11.205 -12.056 1.00 0.00 C ATOM 0 H ALA A 55 4.569 -11.308 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 55 3.332 -9.367 -12.589 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.404 -10.928 -12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.936 -11.786 -12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.194 -11.803 -11.161 1.00 0.00 H new ATOM 879 N VAL A 56 2.244 -9.465 -9.472 1.00 0.00 N ATOM 880 CA VAL A 56 1.414 -8.749 -8.508 1.00 0.00 C ATOM 881 C VAL A 56 1.924 -7.329 -8.260 1.00 0.00 C ATOM 882 O VAL A 56 1.127 -6.408 -8.090 1.00 0.00 O ATOM 883 CB VAL A 56 1.280 -9.500 -7.158 1.00 0.00 C ATOM 884 CG1 VAL A 56 0.539 -10.815 -7.344 1.00 0.00 C ATOM 885 CG2 VAL A 56 2.637 -9.739 -6.514 1.00 0.00 C ATOM 0 H VAL A 56 2.756 -10.259 -9.087 1.00 0.00 H new ATOM 0 HA VAL A 56 0.424 -8.693 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 56 0.701 -8.866 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.457 -11.325 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.458 -10.618 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.087 -11.446 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.504 -10.267 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.256 -10.339 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.125 -8.782 -6.328 1.00 0.00 H new ATOM 895 N VAL A 57 3.241 -7.137 -8.263 1.00 0.00 N ATOM 896 CA VAL A 57 3.796 -5.811 -8.027 1.00 0.00 C ATOM 897 C VAL A 57 3.708 -4.950 -9.292 1.00 0.00 C ATOM 898 O VAL A 57 3.458 -3.743 -9.210 1.00 0.00 O ATOM 899 CB VAL A 57 5.252 -5.862 -7.496 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.206 -6.452 -8.522 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.712 -4.477 -7.066 1.00 0.00 C ATOM 0 H VAL A 57 3.932 -7.870 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 57 3.190 -5.350 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 57 5.263 -6.519 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.216 -6.470 -8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.895 -7.468 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.192 -5.842 -9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.736 -4.532 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.670 -3.799 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.060 -4.106 -6.275 1.00 0.00 H new ATOM 911 N ASP A 58 3.880 -5.569 -10.459 1.00 0.00 N ATOM 912 CA ASP A 58 3.723 -4.857 -11.727 1.00 0.00 C ATOM 913 C ASP A 58 2.301 -4.338 -11.864 1.00 0.00 C ATOM 914 O ASP A 58 2.080 -3.154 -12.124 1.00 0.00 O ATOM 915 CB ASP A 58 4.064 -5.753 -12.925 1.00 0.00 C ATOM 916 CG ASP A 58 5.549 -5.788 -13.239 1.00 0.00 C ATOM 917 OD1 ASP A 58 6.153 -4.706 -13.408 1.00 0.00 O ATOM 918 OD2 ASP A 58 6.118 -6.890 -13.351 1.00 0.00 O ATOM 0 H ASP A 58 4.126 -6.554 -10.553 1.00 0.00 H new ATOM 0 HA ASP A 58 4.420 -4.019 -11.722 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.717 -6.767 -12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.522 -5.399 -13.802 1.00 0.00 H new ATOM 923 N ASN A 59 1.338 -5.226 -11.650 1.00 0.00 N ATOM 924 CA ASN A 59 -0.073 -4.867 -11.740 1.00 0.00 C ATOM 925 C ASN A 59 -0.468 -3.906 -10.628 1.00 0.00 C ATOM 926 O ASN A 59 -1.376 -3.094 -10.798 1.00 0.00 O ATOM 927 CB ASN A 59 -0.948 -6.120 -11.694 1.00 0.00 C ATOM 928 CG ASN A 59 -0.911 -6.894 -12.997 1.00 0.00 C ATOM 929 OD1 ASN A 59 -0.786 -6.311 -14.074 1.00 0.00 O ATOM 930 ND2 ASN A 59 -1.013 -8.209 -12.906 1.00 0.00 N ATOM 0 H ASN A 59 1.509 -6.203 -11.412 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.230 -4.363 -12.694 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.614 -6.765 -10.881 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.976 -5.835 -11.472 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.989 -8.782 -13.750 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.115 -8.651 -11.992 1.00 0.00 H new ATOM 937 N PHE A 60 0.221 -3.997 -9.496 1.00 0.00 N ATOM 938 CA PHE A 60 -0.009 -3.077 -8.389 1.00 0.00 C ATOM 939 C PHE A 60 0.327 -1.657 -8.818 1.00 0.00 C ATOM 940 O PHE A 60 -0.488 -0.744 -8.685 1.00 0.00 O ATOM 941 CB PHE A 60 0.848 -3.461 -7.180 1.00 0.00 C ATOM 942 CG PHE A 60 0.466 -2.753 -5.910 1.00 0.00 C ATOM 943 CD1 PHE A 60 -0.657 -3.141 -5.197 1.00 0.00 C ATOM 944 CD2 PHE A 60 1.233 -1.706 -5.426 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.007 -2.497 -4.026 1.00 0.00 C ATOM 946 CE2 PHE A 60 0.887 -1.060 -4.253 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.234 -1.457 -3.554 1.00 0.00 C ATOM 0 H PHE A 60 0.942 -4.697 -9.321 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.060 -3.135 -8.107 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.772 -4.537 -7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.892 -3.245 -7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.265 -3.956 -5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.111 -1.391 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.886 -2.808 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.494 -0.246 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.506 -0.954 -2.638 1.00 0.00 H new ATOM 957 N THR A 61 1.529 -1.487 -9.350 1.00 0.00 N ATOM 958 CA THR A 61 1.990 -0.181 -9.802 1.00 0.00 C ATOM 959 C THR A 61 1.188 0.289 -11.015 1.00 0.00 C ATOM 960 O THR A 61 0.965 1.489 -11.201 1.00 0.00 O ATOM 961 CB THR A 61 3.500 -0.204 -10.128 1.00 0.00 C ATOM 962 OG1 THR A 61 3.805 -1.228 -11.088 1.00 0.00 O ATOM 963 CG2 THR A 61 4.312 -0.437 -8.862 1.00 0.00 C ATOM 0 H THR A 61 2.205 -2.240 -9.480 1.00 0.00 H new ATOM 0 HA THR A 61 1.830 0.526 -8.988 1.00 0.00 H new ATOM 0 HB THR A 61 3.763 0.764 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.994 -1.741 -11.288 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.374 -0.451 -9.108 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.115 0.365 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.030 -1.392 -8.419 1.00 0.00 H new ATOM 971 N LYS A 62 0.751 -0.674 -11.820 1.00 0.00 N ATOM 972 CA LYS A 62 -0.125 -0.412 -12.956 1.00 0.00 C ATOM 973 C LYS A 62 -1.435 0.208 -12.480 1.00 0.00 C ATOM 974 O LYS A 62 -1.829 1.282 -12.934 1.00 0.00 O ATOM 975 CB LYS A 62 -0.403 -1.723 -13.702 1.00 0.00 C ATOM 976 CG LYS A 62 -1.404 -1.604 -14.841 1.00 0.00 C ATOM 977 CD LYS A 62 -1.777 -2.980 -15.374 1.00 0.00 C ATOM 978 CE LYS A 62 -2.852 -2.908 -16.448 1.00 0.00 C ATOM 979 NZ LYS A 62 -2.369 -2.239 -17.683 1.00 0.00 N ATOM 0 H LYS A 62 0.994 -1.658 -11.703 1.00 0.00 H new ATOM 0 HA LYS A 62 0.365 0.289 -13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.537 -2.105 -14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.770 -2.461 -12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.299 -1.088 -14.493 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.980 -1.000 -15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.889 -3.462 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.128 -3.603 -14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.188 -3.916 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.716 -2.369 -16.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.124 -2.243 -18.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.104 -1.257 -17.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.540 -2.748 -18.052 1.00 0.00 H new ATOM 993 N ALA A 63 -2.094 -0.475 -11.548 1.00 0.00 N ATOM 994 CA ALA A 63 -3.362 -0.011 -11.008 1.00 0.00 C ATOM 995 C ALA A 63 -3.200 1.343 -10.328 1.00 0.00 C ATOM 996 O ALA A 63 -4.019 2.235 -10.518 1.00 0.00 O ATOM 997 CB ALA A 63 -3.925 -1.031 -10.030 1.00 0.00 C ATOM 0 H ALA A 63 -1.766 -1.356 -11.151 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.063 0.105 -11.835 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.874 -0.670 -9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.083 -1.979 -10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.221 -1.176 -9.210 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.125 1.488 -9.557 1.00 0.00 N ATOM 1004 CA LEU A 64 -1.850 2.729 -8.833 1.00 0.00 C ATOM 1005 C LEU A 64 -1.864 3.949 -9.748 1.00 0.00 C ATOM 1006 O LEU A 64 -2.768 4.779 -9.666 1.00 0.00 O ATOM 1007 CB LEU A 64 -0.500 2.649 -8.119 1.00 0.00 C ATOM 1008 CG LEU A 64 -0.531 2.004 -6.737 1.00 0.00 C ATOM 1009 CD1 LEU A 64 0.882 1.835 -6.207 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -1.362 2.851 -5.783 1.00 0.00 C ATOM 0 H LEU A 64 -1.426 0.758 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.649 2.846 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.192 2.089 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.098 3.658 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.991 1.019 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.848 1.374 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.451 1.199 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.363 2.811 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.378 2.382 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.923 3.846 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.381 2.933 -6.162 1.00 0.00 H new ATOM 1022 N LYS A 65 -0.877 4.045 -10.631 1.00 0.00 N ATOM 1023 CA LYS A 65 -0.703 5.246 -11.440 1.00 0.00 C ATOM 1024 C LYS A 65 -1.891 5.489 -12.362 1.00 0.00 C ATOM 1025 O LYS A 65 -2.312 6.632 -12.544 1.00 0.00 O ATOM 1026 CB LYS A 65 0.595 5.176 -12.240 1.00 0.00 C ATOM 1027 CG LYS A 65 1.834 5.390 -11.384 1.00 0.00 C ATOM 1028 CD LYS A 65 3.092 5.503 -12.226 1.00 0.00 C ATOM 1029 CE LYS A 65 3.489 4.167 -12.827 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.644 4.309 -13.747 1.00 0.00 N ATOM 0 H LYS A 65 -0.189 3.312 -10.805 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.645 6.092 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.662 4.204 -12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.570 5.929 -13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.713 6.296 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.939 4.561 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.931 6.227 -13.024 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.908 5.882 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.741 3.468 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.642 3.743 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.201 3.431 -13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.300 4.496 -14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.242 5.100 -13.434 1.00 0.00 H new ATOM 1044 N GLN A 66 -2.445 4.423 -12.923 1.00 0.00 N ATOM 1045 CA GLN A 66 -3.602 4.553 -13.798 1.00 0.00 C ATOM 1046 C GLN A 66 -4.807 5.074 -13.024 1.00 0.00 C ATOM 1047 O GLN A 66 -5.533 5.945 -13.507 1.00 0.00 O ATOM 1048 CB GLN A 66 -3.938 3.219 -14.471 1.00 0.00 C ATOM 1049 CG GLN A 66 -3.297 3.044 -15.841 1.00 0.00 C ATOM 1050 CD GLN A 66 -1.785 3.156 -15.813 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -1.224 4.244 -15.968 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -1.117 2.033 -15.624 1.00 0.00 N ATOM 0 H GLN A 66 -2.116 3.467 -12.790 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.351 5.273 -14.577 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.616 2.404 -13.823 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.020 3.136 -14.573 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.575 2.070 -16.243 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.698 3.796 -16.521 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.621 1.155 -15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.097 2.044 -15.602 1.00 0.00 H new ATOM 1061 N SER A 67 -4.998 4.560 -11.816 1.00 0.00 N ATOM 1062 CA SER A 67 -6.119 4.960 -10.982 1.00 0.00 C ATOM 1063 C SER A 67 -5.933 6.390 -10.475 1.00 0.00 C ATOM 1064 O SER A 67 -6.895 7.146 -10.377 1.00 0.00 O ATOM 1065 CB SER A 67 -6.279 3.994 -9.805 1.00 0.00 C ATOM 1066 OG SER A 67 -7.512 4.197 -9.130 1.00 0.00 O ATOM 0 H SER A 67 -4.387 3.862 -11.392 1.00 0.00 H new ATOM 0 HA SER A 67 -7.025 4.926 -11.587 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.225 2.967 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.454 4.130 -9.106 1.00 0.00 H new ATOM 0 HG SER A 67 -7.585 3.565 -8.385 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.694 6.761 -10.168 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.395 8.112 -9.693 1.00 0.00 C ATOM 1074 C VAL A 68 -4.637 9.149 -10.791 1.00 0.00 C ATOM 1075 O VAL A 68 -5.023 10.284 -10.510 1.00 0.00 O ATOM 1076 CB VAL A 68 -2.942 8.221 -9.168 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.588 9.659 -8.811 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.751 7.323 -7.958 1.00 0.00 C ATOM 0 H VAL A 68 -3.881 6.149 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.073 8.318 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.274 7.896 -9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.562 9.701 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.684 10.288 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.264 10.018 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.725 7.409 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.438 7.626 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.952 6.289 -8.237 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.423 8.761 -12.043 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.695 9.653 -13.164 1.00 0.00 C ATOM 1090 C LEU A 69 -6.200 9.837 -13.351 1.00 0.00 C ATOM 1091 O LEU A 69 -6.666 10.920 -13.716 1.00 0.00 O ATOM 1092 CB LEU A 69 -4.061 9.116 -14.449 1.00 0.00 C ATOM 1093 CG LEU A 69 -2.530 9.071 -14.452 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -2.014 8.503 -15.765 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -1.954 10.460 -14.209 1.00 0.00 C ATOM 0 H LEU A 69 -4.065 7.843 -12.306 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.252 10.624 -12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.438 8.109 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.392 9.734 -15.284 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.205 8.417 -13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.924 8.479 -15.748 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.397 7.491 -15.899 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.350 9.131 -16.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.865 10.408 -14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.289 11.136 -14.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.295 10.831 -13.242 1.00 0.00 H new ATOM 1354 N SER B 8 9.650 10.081 13.663 1.00 0.00 N ATOM 1355 CA SER B 8 10.174 9.106 14.597 1.00 0.00 C ATOM 1356 C SER B 8 10.058 7.723 13.971 1.00 0.00 C ATOM 1357 O SER B 8 8.948 7.242 13.738 1.00 0.00 O ATOM 1358 CB SER B 8 9.400 9.169 15.918 1.00 0.00 C ATOM 1359 OG SER B 8 9.402 10.487 16.446 1.00 0.00 O ATOM 0 HA SER B 8 11.221 9.321 14.812 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.374 8.839 15.758 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.847 8.484 16.639 1.00 0.00 H new ATOM 0 HG SER B 8 9.515 11.132 15.716 1.00 0.00 H new ATOM 1365 N ASN B 9 11.194 7.094 13.679 1.00 0.00 N ATOM 1366 CA ASN B 9 11.188 5.797 13.002 1.00 0.00 C ATOM 1367 C ASN B 9 10.516 4.744 13.874 1.00 0.00 C ATOM 1368 O ASN B 9 10.002 3.749 13.371 1.00 0.00 O ATOM 1369 CB ASN B 9 12.604 5.344 12.616 1.00 0.00 C ATOM 1370 CG ASN B 9 13.443 4.891 13.797 1.00 0.00 C ATOM 1371 OD1 ASN B 9 13.342 5.429 14.898 1.00 0.00 O ATOM 1372 ND2 ASN B 9 14.270 3.885 13.573 1.00 0.00 N ATOM 0 H ASN B 9 12.122 7.456 13.897 1.00 0.00 H new ATOM 0 HA ASN B 9 10.618 5.914 12.080 1.00 0.00 H new ATOM 0 HB2 ASN B 9 12.531 4.527 11.898 1.00 0.00 H new ATOM 0 HB3 ASN B 9 13.114 6.165 12.113 1.00 0.00 H new ATOM 0 HD21 ASN B 9 14.854 3.527 14.329 1.00 0.00 H new ATOM 0 HD22 ASN B 9 14.324 3.466 12.645 1.00 0.00 H new ATOM 1379 N GLU B 10 10.521 4.976 15.182 1.00 0.00 N ATOM 1380 CA GLU B 10 9.786 4.135 16.112 1.00 0.00 C ATOM 1381 C GLU B 10 8.298 4.164 15.782 1.00 0.00 C ATOM 1382 O GLU B 10 7.639 3.125 15.739 1.00 0.00 O ATOM 1383 CB GLU B 10 10.010 4.615 17.542 1.00 0.00 C ATOM 1384 CG GLU B 10 11.439 4.458 18.027 1.00 0.00 C ATOM 1385 CD GLU B 10 11.698 5.244 19.290 1.00 0.00 C ATOM 1386 OE1 GLU B 10 11.342 4.760 20.383 1.00 0.00 O ATOM 1387 OE2 GLU B 10 12.244 6.361 19.191 1.00 0.00 O ATOM 0 H GLU B 10 11.029 5.744 15.621 1.00 0.00 H new ATOM 0 HA GLU B 10 10.149 3.111 16.021 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.727 5.665 17.611 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.348 4.062 18.208 1.00 0.00 H new ATOM 0 HG2 GLU B 10 11.647 3.403 18.208 1.00 0.00 H new ATOM 0 HG3 GLU B 10 12.125 4.789 17.247 1.00 0.00 H new ATOM 1394 N ARG B 11 7.785 5.362 15.520 1.00 0.00 N ATOM 1395 CA ARG B 11 6.386 5.526 15.168 1.00 0.00 C ATOM 1396 C ARG B 11 6.133 5.023 13.756 1.00 0.00 C ATOM 1397 O ARG B 11 5.092 4.438 13.480 1.00 0.00 O ATOM 1398 CB ARG B 11 5.947 6.988 15.301 1.00 0.00 C ATOM 1399 CG ARG B 11 4.490 7.194 14.925 1.00 0.00 C ATOM 1400 CD ARG B 11 3.940 8.517 15.422 1.00 0.00 C ATOM 1401 NE ARG B 11 2.488 8.450 15.583 1.00 0.00 N ATOM 1402 CZ ARG B 11 1.698 9.495 15.799 1.00 0.00 C ATOM 1403 NH1 ARG B 11 2.183 10.733 15.760 1.00 0.00 N ATOM 1404 NH2 ARG B 11 0.409 9.291 16.039 1.00 0.00 N ATOM 0 H ARG B 11 8.320 6.230 15.546 1.00 0.00 H new ATOM 0 HA ARG B 11 5.793 4.933 15.864 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.104 7.319 16.327 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.575 7.612 14.665 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.388 7.147 13.841 1.00 0.00 H new ATOM 0 HG3 ARG B 11 3.894 6.380 15.337 1.00 0.00 H new ATOM 0 HD2 ARG B 11 4.404 8.774 16.374 1.00 0.00 H new ATOM 0 HD3 ARG B 11 4.196 9.309 14.719 1.00 0.00 H new ATOM 0 HE ARG B 11 2.049 7.531 15.525 1.00 0.00 H new ATOM 0 HH11 ARG B 11 3.172 10.887 15.562 1.00 0.00 H new ATOM 0 HH12 ARG B 11 1.566 11.528 15.928 1.00 0.00 H new ATOM 0 HH21 ARG B 11 0.037 8.341 16.056 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -0.210 10.084 16.207 1.00 0.00 H new ATOM 1418 N VAL B 12 7.094 5.246 12.868 1.00 0.00 N ATOM 1419 CA VAL B 12 7.002 4.730 11.507 1.00 0.00 C ATOM 1420 C VAL B 12 6.864 3.212 11.539 1.00 0.00 C ATOM 1421 O VAL B 12 6.029 2.636 10.839 1.00 0.00 O ATOM 1422 CB VAL B 12 8.234 5.118 10.661 1.00 0.00 C ATOM 1423 CG1 VAL B 12 8.116 4.570 9.248 1.00 0.00 C ATOM 1424 CG2 VAL B 12 8.410 6.628 10.629 1.00 0.00 C ATOM 0 H VAL B 12 7.942 5.778 13.064 1.00 0.00 H new ATOM 0 HA VAL B 12 6.122 5.176 11.043 1.00 0.00 H new ATOM 0 HB VAL B 12 9.114 4.676 11.128 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.996 4.857 8.672 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.044 3.483 9.284 1.00 0.00 H new ATOM 0 HG13 VAL B 12 7.223 4.977 8.773 1.00 0.00 H new ATOM 0 HG21 VAL B 12 9.284 6.880 10.028 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.524 7.088 10.192 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.549 7.000 11.644 1.00 0.00 H new ATOM 1434 N GLU B 13 7.674 2.580 12.380 1.00 0.00 N ATOM 1435 CA GLU B 13 7.609 1.140 12.579 1.00 0.00 C ATOM 1436 C GLU B 13 6.242 0.755 13.128 1.00 0.00 C ATOM 1437 O GLU B 13 5.653 -0.240 12.707 1.00 0.00 O ATOM 1438 CB GLU B 13 8.694 0.691 13.557 1.00 0.00 C ATOM 1439 CG GLU B 13 9.028 -0.787 13.460 1.00 0.00 C ATOM 1440 CD GLU B 13 9.946 -1.094 12.296 1.00 0.00 C ATOM 1441 OE1 GLU B 13 9.490 -1.044 11.138 1.00 0.00 O ATOM 1442 OE2 GLU B 13 11.138 -1.376 12.535 1.00 0.00 O ATOM 0 H GLU B 13 8.388 3.048 12.938 1.00 0.00 H new ATOM 0 HA GLU B 13 7.768 0.648 11.619 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.598 1.272 13.375 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.370 0.916 14.573 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.500 -1.112 14.387 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.106 -1.359 13.354 1.00 0.00 H new ATOM 1449 N LYS B 14 5.747 1.560 14.067 1.00 0.00 N ATOM 1450 CA LYS B 14 4.435 1.334 14.659 1.00 0.00 C ATOM 1451 C LYS B 14 3.351 1.351 13.590 1.00 0.00 C ATOM 1452 O LYS B 14 2.534 0.442 13.521 1.00 0.00 O ATOM 1453 CB LYS B 14 4.116 2.395 15.719 1.00 0.00 C ATOM 1454 CG LYS B 14 2.746 2.201 16.351 1.00 0.00 C ATOM 1455 CD LYS B 14 2.333 3.386 17.207 1.00 0.00 C ATOM 1456 CE LYS B 14 0.969 3.158 17.843 1.00 0.00 C ATOM 1457 NZ LYS B 14 -0.102 2.964 16.827 1.00 0.00 N ATOM 0 H LYS B 14 6.238 2.376 14.433 1.00 0.00 H new ATOM 0 HA LYS B 14 4.457 0.354 15.135 1.00 0.00 H new ATOM 0 HB2 LYS B 14 4.878 2.365 16.498 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.164 3.384 15.263 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.005 2.046 15.567 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.755 1.299 16.963 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.077 3.552 17.986 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.306 4.288 16.595 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.014 2.283 18.492 1.00 0.00 H new ATOM 0 HE3 LYS B 14 0.718 4.010 18.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.026 2.914 17.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.098 3.763 16.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.068 2.079 16.307 1.00 0.00 H new ATOM 1471 N ILE B 15 3.357 2.385 12.757 1.00 0.00 N ATOM 1472 CA ILE B 15 2.357 2.530 11.706 1.00 0.00 C ATOM 1473 C ILE B 15 2.365 1.316 10.780 1.00 0.00 C ATOM 1474 O ILE B 15 1.317 0.735 10.498 1.00 0.00 O ATOM 1475 CB ILE B 15 2.586 3.813 10.879 1.00 0.00 C ATOM 1476 CG1 ILE B 15 2.636 5.030 11.804 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.481 3.978 9.843 1.00 0.00 C ATOM 1478 CD1 ILE B 15 3.060 6.307 11.113 1.00 0.00 C ATOM 0 H ILE B 15 4.045 3.137 12.789 1.00 0.00 H new ATOM 0 HA ILE B 15 1.385 2.603 12.194 1.00 0.00 H new ATOM 0 HB ILE B 15 3.539 3.730 10.357 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.651 5.178 12.247 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.326 4.824 12.622 1.00 0.00 H new ATOM 0 HG21 ILE B 15 1.655 4.887 9.267 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.479 3.118 9.173 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.517 4.047 10.347 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.071 7.124 11.834 1.00 0.00 H new ATOM 0 HD12 ILE B 15 4.058 6.180 10.693 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.357 6.539 10.313 1.00 0.00 H new ATOM 1490 N ILE B 16 3.553 0.923 10.334 1.00 0.00 N ATOM 1491 CA ILE B 16 3.698 -0.251 9.479 1.00 0.00 C ATOM 1492 C ILE B 16 3.196 -1.501 10.201 1.00 0.00 C ATOM 1493 O ILE B 16 2.466 -2.314 9.628 1.00 0.00 O ATOM 1494 CB ILE B 16 5.167 -0.459 9.046 1.00 0.00 C ATOM 1495 CG1 ILE B 16 5.687 0.786 8.319 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.293 -1.687 8.151 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.165 0.733 7.997 1.00 0.00 C ATOM 0 H ILE B 16 4.429 1.399 10.550 1.00 0.00 H new ATOM 0 HA ILE B 16 3.098 -0.081 8.585 1.00 0.00 H new ATOM 0 HB ILE B 16 5.771 -0.621 9.939 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.127 0.915 7.393 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.490 1.664 8.935 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.334 -1.817 7.856 1.00 0.00 H new ATOM 0 HG22 ILE B 16 4.957 -2.570 8.695 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.678 -1.553 7.261 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.459 1.648 7.483 1.00 0.00 H new ATOM 0 HD12 ILE B 16 7.735 0.636 8.921 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.367 -0.124 7.355 1.00 0.00 H new ATOM 1509 N GLN B 17 3.565 -1.630 11.471 1.00 0.00 N ATOM 1510 CA GLN B 17 3.162 -2.773 12.276 1.00 0.00 C ATOM 1511 C GLN B 17 1.647 -2.800 12.475 1.00 0.00 C ATOM 1512 O GLN B 17 1.041 -3.865 12.455 1.00 0.00 O ATOM 1513 CB GLN B 17 3.878 -2.751 13.630 1.00 0.00 C ATOM 1514 CG GLN B 17 3.597 -3.967 14.504 1.00 0.00 C ATOM 1515 CD GLN B 17 3.957 -5.275 13.825 1.00 0.00 C ATOM 1516 OE1 GLN B 17 5.087 -5.751 13.925 1.00 0.00 O ATOM 1517 NE2 GLN B 17 2.998 -5.864 13.133 1.00 0.00 N ATOM 0 H GLN B 17 4.145 -0.952 11.965 1.00 0.00 H new ATOM 0 HA GLN B 17 3.448 -3.679 11.742 1.00 0.00 H new ATOM 0 HB2 GLN B 17 4.952 -2.680 13.459 1.00 0.00 H new ATOM 0 HB3 GLN B 17 3.581 -1.852 14.171 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.160 -3.879 15.433 1.00 0.00 H new ATOM 0 HG3 GLN B 17 2.540 -3.980 14.771 1.00 0.00 H new ATOM 0 HE21 GLN B 17 2.074 -5.436 13.075 1.00 0.00 H new ATOM 0 HE22 GLN B 17 3.182 -6.747 12.657 1.00 0.00 H new ATOM 1526 N ASP B 18 1.044 -1.631 12.665 1.00 0.00 N ATOM 1527 CA ASP B 18 -0.407 -1.530 12.825 1.00 0.00 C ATOM 1528 C ASP B 18 -1.120 -1.880 11.528 1.00 0.00 C ATOM 1529 O ASP B 18 -2.184 -2.500 11.545 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.822 -0.128 13.287 1.00 0.00 C ATOM 1531 CG ASP B 18 -0.742 0.048 14.793 1.00 0.00 C ATOM 1532 OD1 ASP B 18 -1.571 -0.551 15.510 1.00 0.00 O ATOM 1533 OD2 ASP B 18 0.138 0.796 15.270 1.00 0.00 O ATOM 0 H ASP B 18 1.536 -0.739 12.712 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.700 -2.245 13.593 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.182 0.611 12.806 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.842 0.070 12.957 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.533 -1.481 10.405 1.00 0.00 N ATOM 1539 CA LEU B 19 -1.064 -1.842 9.096 1.00 0.00 C ATOM 1540 C LEU B 19 -1.038 -3.356 8.923 1.00 0.00 C ATOM 1541 O LEU B 19 -2.034 -3.966 8.535 1.00 0.00 O ATOM 1542 CB LEU B 19 -0.256 -1.171 7.979 1.00 0.00 C ATOM 1543 CG LEU B 19 -0.286 0.357 7.977 1.00 0.00 C ATOM 1544 CD1 LEU B 19 0.668 0.903 6.929 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -1.699 0.866 7.731 1.00 0.00 C ATOM 0 H LEU B 19 0.310 -0.908 10.375 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.094 -1.492 9.033 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.781 -1.497 8.057 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.630 -1.526 7.019 1.00 0.00 H new ATOM 0 HG LEU B 19 0.037 0.709 8.957 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.635 1.992 6.940 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.681 0.568 7.150 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.373 0.541 5.944 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.699 1.956 7.733 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.053 0.505 6.765 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.359 0.502 8.518 1.00 0.00 H new ATOM 1557 N LEU B 20 0.105 -3.957 9.237 1.00 0.00 N ATOM 1558 CA LEU B 20 0.257 -5.405 9.167 1.00 0.00 C ATOM 1559 C LEU B 20 -0.646 -6.083 10.192 1.00 0.00 C ATOM 1560 O LEU B 20 -1.147 -7.182 9.965 1.00 0.00 O ATOM 1561 CB LEU B 20 1.716 -5.799 9.416 1.00 0.00 C ATOM 1562 CG LEU B 20 2.724 -5.251 8.401 1.00 0.00 C ATOM 1563 CD1 LEU B 20 4.142 -5.633 8.801 1.00 0.00 C ATOM 1564 CD2 LEU B 20 2.413 -5.763 7.002 1.00 0.00 C ATOM 0 H LEU B 20 0.942 -3.461 9.543 1.00 0.00 H new ATOM 0 HA LEU B 20 -0.033 -5.735 8.169 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.003 -5.456 10.410 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.786 -6.887 9.422 1.00 0.00 H new ATOM 0 HG LEU B 20 2.644 -4.164 8.394 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.846 -5.236 8.069 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.367 -5.218 9.783 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.230 -6.719 8.837 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.141 -5.361 6.297 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.462 -6.852 6.994 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.412 -5.443 6.712 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.854 -5.408 11.314 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.708 -5.912 12.384 1.00 0.00 C ATOM 1578 C ASP B 21 -3.130 -6.108 11.887 1.00 0.00 C ATOM 1579 O ASP B 21 -3.746 -7.126 12.160 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.702 -4.943 13.563 1.00 0.00 C ATOM 1581 CG ASP B 21 -2.515 -5.431 14.745 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -1.941 -6.109 15.623 1.00 0.00 O ATOM 1583 OD2 ASP B 21 -3.718 -5.110 14.814 1.00 0.00 O ATOM 0 H ASP B 21 -0.437 -4.498 11.509 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.316 -6.875 12.710 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -0.673 -4.777 13.882 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.093 -3.980 13.235 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.641 -5.132 11.145 1.00 0.00 N ATOM 1589 CA VAL B 22 -4.971 -5.241 10.557 1.00 0.00 C ATOM 1590 C VAL B 22 -5.010 -6.373 9.534 1.00 0.00 C ATOM 1591 O VAL B 22 -6.002 -7.092 9.417 1.00 0.00 O ATOM 1592 CB VAL B 22 -5.405 -3.921 9.879 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.793 -4.050 9.268 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -5.368 -2.772 10.873 1.00 0.00 C ATOM 0 H VAL B 22 -3.156 -4.259 10.937 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.667 -5.456 11.368 1.00 0.00 H new ATOM 0 HB VAL B 22 -4.700 -3.709 9.076 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.073 -3.107 8.798 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.789 -4.842 8.519 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.513 -4.294 10.049 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.677 -1.852 10.377 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.046 -2.984 11.699 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.354 -2.655 11.256 1.00 0.00 H new ATOM 1604 N LEU B 23 -3.908 -6.539 8.813 1.00 0.00 N ATOM 1605 CA LEU B 23 -3.796 -7.597 7.820 1.00 0.00 C ATOM 1606 C LEU B 23 -3.815 -8.970 8.489 1.00 0.00 C ATOM 1607 O LEU B 23 -4.377 -9.921 7.950 1.00 0.00 O ATOM 1608 CB LEU B 23 -2.516 -7.428 6.996 1.00 0.00 C ATOM 1609 CG LEU B 23 -2.395 -6.093 6.256 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -1.100 -6.039 5.465 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -3.591 -5.873 5.343 1.00 0.00 C ATOM 0 H LEU B 23 -3.078 -5.952 8.899 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.654 -7.526 7.151 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -1.658 -7.538 7.659 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.461 -8.237 6.267 1.00 0.00 H new ATOM 0 HG LEU B 23 -2.380 -5.292 6.995 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -1.031 -5.083 4.945 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.254 -6.145 6.144 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.084 -6.850 4.737 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -3.484 -4.919 4.827 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.642 -6.678 4.610 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -4.505 -5.864 5.937 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.201 -9.066 9.664 1.00 0.00 N ATOM 1624 CA VAL B 24 -3.224 -10.299 10.447 1.00 0.00 C ATOM 1625 C VAL B 24 -4.582 -10.469 11.127 1.00 0.00 C ATOM 1626 O VAL B 24 -5.111 -11.576 11.221 1.00 0.00 O ATOM 1627 CB VAL B 24 -2.102 -10.326 11.513 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -2.163 -11.604 12.337 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -0.734 -10.182 10.861 1.00 0.00 C ATOM 0 H VAL B 24 -2.680 -8.303 10.097 1.00 0.00 H new ATOM 0 HA VAL B 24 -3.053 -11.125 9.757 1.00 0.00 H new ATOM 0 HB VAL B 24 -2.257 -9.480 12.182 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -1.364 -11.597 13.078 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -3.127 -11.665 12.843 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -2.042 -12.466 11.681 1.00 0.00 H new ATOM 0 HG21 VAL B 24 0.039 -10.204 11.629 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.575 -11.004 10.163 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -0.685 -9.235 10.323 1.00 0.00 H new ATOM 1639 N LYS B 25 -5.136 -9.357 11.593 1.00 0.00 N ATOM 1640 CA LYS B 25 -6.477 -9.320 12.176 1.00 0.00 C ATOM 1641 C LYS B 25 -7.505 -9.955 11.238 1.00 0.00 C ATOM 1642 O LYS B 25 -8.348 -10.748 11.662 1.00 0.00 O ATOM 1643 CB LYS B 25 -6.844 -7.861 12.486 1.00 0.00 C ATOM 1644 CG LYS B 25 -8.320 -7.612 12.739 1.00 0.00 C ATOM 1645 CD LYS B 25 -8.559 -6.177 13.196 1.00 0.00 C ATOM 1646 CE LYS B 25 -10.032 -5.802 13.140 1.00 0.00 C ATOM 1647 NZ LYS B 25 -10.494 -5.558 11.746 1.00 0.00 N ATOM 0 H LYS B 25 -4.669 -8.450 11.579 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.484 -9.900 13.099 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.281 -7.538 13.362 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.523 -7.236 11.653 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -8.887 -7.807 11.829 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -8.685 -8.305 13.497 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -8.192 -6.055 14.215 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -7.987 -5.495 12.567 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -10.626 -6.601 13.584 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -10.201 -4.908 13.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -11.514 -5.355 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.981 -4.746 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -10.310 -6.402 11.167 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.416 -9.618 9.960 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.325 -10.169 8.965 1.00 0.00 C ATOM 1663 C GLU B 26 -7.770 -11.459 8.372 1.00 0.00 C ATOM 1664 O GLU B 26 -8.498 -12.216 7.729 1.00 0.00 O ATOM 1665 CB GLU B 26 -8.560 -9.158 7.843 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.199 -7.860 8.305 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.526 -8.085 8.994 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -11.487 -8.511 8.321 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -10.608 -7.849 10.218 1.00 0.00 O ATOM 0 H GLU B 26 -6.725 -8.967 9.588 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.270 -10.388 9.463 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -7.606 -8.932 7.366 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -9.196 -9.614 7.084 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -8.521 -7.347 8.987 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.345 -7.204 7.447 1.00 0.00 H new ATOM 1676 N GLU B 27 -6.484 -11.708 8.616 1.00 0.00 N ATOM 1677 CA GLU B 27 -5.755 -12.787 7.952 1.00 0.00 C ATOM 1678 C GLU B 27 -5.957 -12.701 6.448 1.00 0.00 C ATOM 1679 O GLU B 27 -6.433 -13.642 5.809 1.00 0.00 O ATOM 1680 CB GLU B 27 -6.170 -14.164 8.471 1.00 0.00 C ATOM 1681 CG GLU B 27 -5.653 -14.468 9.866 1.00 0.00 C ATOM 1682 CD GLU B 27 -5.641 -15.951 10.160 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -4.795 -16.664 9.581 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -6.477 -16.415 10.967 1.00 0.00 O ATOM 0 H GLU B 27 -5.921 -11.171 9.276 1.00 0.00 H new ATOM 0 HA GLU B 27 -4.697 -12.663 8.181 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -7.258 -14.230 8.473 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -5.806 -14.927 7.783 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.644 -14.070 9.972 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -6.276 -13.959 10.601 1.00 0.00 H new ATOM 1691 N VAL B 28 -5.599 -11.553 5.896 1.00 0.00 N ATOM 1692 CA VAL B 28 -5.806 -11.277 4.487 1.00 0.00 C ATOM 1693 C VAL B 28 -4.872 -12.107 3.616 1.00 0.00 C ATOM 1694 O VAL B 28 -3.860 -12.636 4.083 1.00 0.00 O ATOM 1695 CB VAL B 28 -5.587 -9.782 4.161 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -6.504 -8.908 4.999 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -4.132 -9.387 4.366 1.00 0.00 C ATOM 0 H VAL B 28 -5.159 -10.790 6.411 1.00 0.00 H new ATOM 0 HA VAL B 28 -6.840 -11.544 4.270 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.834 -9.627 3.111 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.333 -7.860 4.753 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -7.542 -9.165 4.790 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.296 -9.071 6.056 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.005 -8.331 4.130 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.850 -9.563 5.404 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -3.497 -9.984 3.711 1.00 0.00 H new ATOM 1707 N THR B 29 -5.233 -12.225 2.356 1.00 0.00 N ATOM 1708 CA THR B 29 -4.391 -12.868 1.373 1.00 0.00 C ATOM 1709 C THR B 29 -3.538 -11.815 0.675 1.00 0.00 C ATOM 1710 O THR B 29 -3.833 -10.620 0.772 1.00 0.00 O ATOM 1711 CB THR B 29 -5.249 -13.605 0.329 1.00 0.00 C ATOM 1712 OG1 THR B 29 -6.161 -12.680 -0.276 1.00 0.00 O ATOM 1713 CG2 THR B 29 -6.027 -14.749 0.971 1.00 0.00 C ATOM 0 H THR B 29 -6.118 -11.878 1.986 1.00 0.00 H new ATOM 0 HA THR B 29 -3.751 -13.593 1.876 1.00 0.00 H new ATOM 0 HB THR B 29 -4.589 -14.025 -0.430 1.00 0.00 H new ATOM 0 HG1 THR B 29 -6.707 -13.147 -0.942 1.00 0.00 H new ATOM 0 HG21 THR B 29 -6.625 -15.253 0.212 1.00 0.00 H new ATOM 0 HG22 THR B 29 -5.329 -15.459 1.415 1.00 0.00 H new ATOM 0 HG23 THR B 29 -6.683 -14.353 1.746 1.00 0.00 H new ATOM 1721 N PRO B 30 -2.466 -12.229 -0.015 1.00 0.00 N ATOM 1722 CA PRO B 30 -1.652 -11.318 -0.824 1.00 0.00 C ATOM 1723 C PRO B 30 -2.505 -10.443 -1.745 1.00 0.00 C ATOM 1724 O PRO B 30 -2.335 -9.224 -1.787 1.00 0.00 O ATOM 1725 CB PRO B 30 -0.782 -12.267 -1.643 1.00 0.00 C ATOM 1726 CG PRO B 30 -0.648 -13.484 -0.796 1.00 0.00 C ATOM 1727 CD PRO B 30 -1.942 -13.610 -0.040 1.00 0.00 C ATOM 0 HA PRO B 30 -1.085 -10.617 -0.212 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.245 -12.501 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO B 30 0.191 -11.826 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -0.467 -14.367 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO B 30 0.196 -13.392 -0.112 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -2.632 -14.292 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -1.782 -13.996 0.967 1.00 0.00 H new ATOM 1735 N ASP B 31 -3.438 -11.071 -2.458 1.00 0.00 N ATOM 1736 CA ASP B 31 -4.316 -10.353 -3.381 1.00 0.00 C ATOM 1737 C ASP B 31 -5.210 -9.375 -2.633 1.00 0.00 C ATOM 1738 O ASP B 31 -5.387 -8.230 -3.056 1.00 0.00 O ATOM 1739 CB ASP B 31 -5.186 -11.326 -4.184 1.00 0.00 C ATOM 1740 CG ASP B 31 -4.415 -12.056 -5.265 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -3.804 -13.104 -4.963 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -4.424 -11.591 -6.425 1.00 0.00 O ATOM 0 H ASP B 31 -3.606 -12.076 -2.414 1.00 0.00 H new ATOM 0 HA ASP B 31 -3.678 -9.798 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -5.627 -12.055 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -6.009 -10.777 -4.641 1.00 0.00 H new ATOM 1747 N LEU B 32 -5.769 -9.830 -1.515 1.00 0.00 N ATOM 1748 CA LEU B 32 -6.673 -9.007 -0.720 1.00 0.00 C ATOM 1749 C LEU B 32 -5.941 -7.803 -0.135 1.00 0.00 C ATOM 1750 O LEU B 32 -6.471 -6.690 -0.124 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.311 -9.841 0.398 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.332 -9.107 1.273 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.482 -8.578 0.433 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -8.854 -10.031 2.361 1.00 0.00 C ATOM 0 H LEU B 32 -5.611 -10.765 -1.140 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.463 -8.639 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -7.800 -10.705 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.517 -10.223 1.040 1.00 0.00 H new ATOM 0 HG LEU B 32 -7.834 -8.258 1.742 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.194 -8.061 1.076 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.097 -7.884 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -9.981 -9.409 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -9.579 -9.497 2.975 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.334 -10.896 1.904 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.024 -10.363 2.985 1.00 0.00 H new ATOM 1766 N ALA B 33 -4.716 -8.025 0.334 1.00 0.00 N ATOM 1767 CA ALA B 33 -3.918 -6.960 0.922 1.00 0.00 C ATOM 1768 C ALA B 33 -3.598 -5.892 -0.109 1.00 0.00 C ATOM 1769 O ALA B 33 -3.784 -4.704 0.145 1.00 0.00 O ATOM 1770 CB ALA B 33 -2.637 -7.522 1.516 1.00 0.00 C ATOM 0 H ALA B 33 -4.256 -8.935 0.317 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.501 -6.500 1.720 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.052 -6.712 1.952 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.883 -8.249 2.290 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.056 -8.009 0.733 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.142 -6.327 -1.279 1.00 0.00 N ATOM 1777 CA LEU B 34 -2.781 -5.406 -2.352 1.00 0.00 C ATOM 1778 C LEU B 34 -3.976 -4.544 -2.755 1.00 0.00 C ATOM 1779 O LEU B 34 -3.850 -3.331 -2.914 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.256 -6.176 -3.568 1.00 0.00 C ATOM 1781 CG LEU B 34 -0.978 -6.985 -3.329 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -0.572 -7.723 -4.594 1.00 0.00 C ATOM 1783 CD2 LEU B 34 0.147 -6.077 -2.855 1.00 0.00 C ATOM 0 H LEU B 34 -3.013 -7.312 -1.509 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.992 -4.752 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.037 -6.854 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.072 -5.466 -4.375 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.176 -7.721 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.338 -8.293 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.371 -8.402 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.392 -7.004 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.047 -6.669 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.345 -5.318 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.144 -5.593 -1.923 1.00 0.00 H new ATOM 1795 N MET B 35 -5.134 -5.179 -2.891 1.00 0.00 N ATOM 1796 CA MET B 35 -6.356 -4.483 -3.288 1.00 0.00 C ATOM 1797 C MET B 35 -6.752 -3.429 -2.258 1.00 0.00 C ATOM 1798 O MET B 35 -7.178 -2.334 -2.618 1.00 0.00 O ATOM 1799 CB MET B 35 -7.493 -5.489 -3.485 1.00 0.00 C ATOM 1800 CG MET B 35 -8.820 -4.851 -3.863 1.00 0.00 C ATOM 1801 SD MET B 35 -10.068 -6.068 -4.321 1.00 0.00 S ATOM 1802 CE MET B 35 -10.128 -7.076 -2.842 1.00 0.00 C ATOM 0 H MET B 35 -5.254 -6.179 -2.732 1.00 0.00 H new ATOM 0 HA MET B 35 -6.165 -3.972 -4.232 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.207 -6.198 -4.262 1.00 0.00 H new ATOM 0 HB3 MET B 35 -7.624 -6.059 -2.565 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.186 -4.258 -3.025 1.00 0.00 H new ATOM 0 HG3 MET B 35 -8.665 -4.164 -4.695 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.081 -7.603 -2.799 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.314 -7.800 -2.862 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.026 -6.439 -1.963 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.599 -3.754 -0.983 1.00 0.00 N ATOM 1813 CA CYS B 36 -6.952 -2.824 0.081 1.00 0.00 C ATOM 1814 C CYS B 36 -5.919 -1.704 0.200 1.00 0.00 C ATOM 1815 O CYS B 36 -6.270 -0.524 0.229 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.077 -3.565 1.411 1.00 0.00 C ATOM 1817 SG CYS B 36 -8.293 -4.905 1.393 1.00 0.00 S ATOM 0 H CYS B 36 -6.235 -4.650 -0.660 1.00 0.00 H new ATOM 0 HA CYS B 36 -7.913 -2.375 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.103 -3.975 1.680 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.349 -2.852 2.189 1.00 0.00 H new ATOM 0 HG CYS B 36 -7.793 -5.936 0.779 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.643 -2.082 0.248 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.560 -1.119 0.409 1.00 0.00 C ATOM 1825 C LEU B 37 -3.492 -0.164 -0.776 1.00 0.00 C ATOM 1826 O LEU B 37 -3.470 1.050 -0.596 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.220 -1.844 0.581 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.089 -2.676 1.858 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -0.795 -3.472 1.841 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.140 -1.779 3.086 1.00 0.00 C ATOM 0 H LEU B 37 -4.335 -3.052 0.177 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.763 -0.534 1.306 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.066 -2.498 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.420 -1.104 0.565 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.926 -3.373 1.902 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.717 -4.059 2.756 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.790 -4.140 0.980 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.052 -2.789 1.774 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.045 -2.388 3.985 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.321 -1.061 3.046 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.090 -1.245 3.107 1.00 0.00 H new ATOM 1842 N GLY B 38 -3.486 -0.717 -1.986 1.00 0.00 N ATOM 1843 CA GLY B 38 -3.377 0.103 -3.182 1.00 0.00 C ATOM 1844 C GLY B 38 -4.547 1.054 -3.345 1.00 0.00 C ATOM 1845 O GLY B 38 -4.384 2.183 -3.815 1.00 0.00 O ATOM 0 H GLY B 38 -3.555 -1.720 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.451 0.676 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.314 -0.544 -4.057 1.00 0.00 H new ATOM 1849 N ASN B 39 -5.727 0.601 -2.937 1.00 0.00 N ATOM 1850 CA ASN B 39 -6.934 1.414 -3.022 1.00 0.00 C ATOM 1851 C ASN B 39 -6.830 2.579 -2.047 1.00 0.00 C ATOM 1852 O ASN B 39 -7.167 3.718 -2.374 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.156 0.548 -2.708 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.463 1.126 -3.217 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -9.672 2.338 -3.224 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -10.343 0.248 -3.671 1.00 0.00 N ATOM 0 H ASN B 39 -5.873 -0.328 -2.543 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.043 1.814 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -8.012 -0.440 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.226 0.412 -1.629 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -11.236 0.568 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -10.128 -0.749 -3.646 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.320 2.287 -0.854 1.00 0.00 N ATOM 1864 CA ALA B 40 -6.106 3.307 0.160 1.00 0.00 C ATOM 1865 C ALA B 40 -5.071 4.329 -0.305 1.00 0.00 C ATOM 1866 O ALA B 40 -5.268 5.532 -0.151 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.671 2.664 1.468 1.00 0.00 C ATOM 0 H ALA B 40 -6.047 1.347 -0.568 1.00 0.00 H new ATOM 0 HA ALA B 40 -7.047 3.831 0.324 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -5.514 3.438 2.219 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -6.445 1.977 1.811 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.742 2.115 1.312 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.976 3.839 -0.889 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.919 4.712 -1.397 1.00 0.00 C ATOM 1875 C VAL B 41 -3.482 5.705 -2.410 1.00 0.00 C ATOM 1876 O VAL B 41 -3.127 6.882 -2.403 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.775 3.908 -2.062 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.704 4.838 -2.611 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -1.156 2.927 -1.079 1.00 0.00 C ATOM 0 H VAL B 41 -3.799 2.843 -1.021 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.513 5.248 -0.539 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.206 3.346 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.088 4.248 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -1.145 5.501 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -0.287 5.432 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.355 2.375 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.750 3.473 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.918 2.229 -0.733 1.00 0.00 H new ATOM 1889 N THR B 42 -4.385 5.222 -3.256 1.00 0.00 N ATOM 1890 CA THR B 42 -4.995 6.050 -4.287 1.00 0.00 C ATOM 1891 C THR B 42 -5.737 7.244 -3.674 1.00 0.00 C ATOM 1892 O THR B 42 -5.666 8.365 -4.184 1.00 0.00 O ATOM 1893 CB THR B 42 -5.969 5.219 -5.151 1.00 0.00 C ATOM 1894 OG1 THR B 42 -5.288 4.081 -5.702 1.00 0.00 O ATOM 1895 CG2 THR B 42 -6.552 6.052 -6.285 1.00 0.00 C ATOM 0 H THR B 42 -4.711 4.256 -3.247 1.00 0.00 H new ATOM 0 HA THR B 42 -4.192 6.429 -4.920 1.00 0.00 H new ATOM 0 HB THR B 42 -6.785 4.888 -4.508 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.054 3.459 -4.981 1.00 0.00 H new ATOM 0 HG21 THR B 42 -7.233 5.438 -6.874 1.00 0.00 H new ATOM 0 HG22 THR B 42 -7.095 6.901 -5.871 1.00 0.00 H new ATOM 0 HG23 THR B 42 -5.745 6.413 -6.923 1.00 0.00 H new ATOM 1903 N ASN B 43 -6.425 7.004 -2.564 1.00 0.00 N ATOM 1904 CA ASN B 43 -7.172 8.060 -1.887 1.00 0.00 C ATOM 1905 C ASN B 43 -6.248 8.949 -1.063 1.00 0.00 C ATOM 1906 O ASN B 43 -6.580 10.098 -0.770 1.00 0.00 O ATOM 1907 CB ASN B 43 -8.270 7.469 -0.997 1.00 0.00 C ATOM 1908 CG ASN B 43 -9.520 7.108 -1.781 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -9.460 6.796 -2.972 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -10.667 7.150 -1.120 1.00 0.00 N ATOM 0 H ASN B 43 -6.482 6.091 -2.114 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.641 8.674 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.888 6.579 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -8.528 8.186 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -11.539 6.920 -1.596 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -10.678 7.413 -0.134 1.00 0.00 H new ATOM 1917 N ILE B 44 -5.089 8.416 -0.693 1.00 0.00 N ATOM 1918 CA ILE B 44 -4.093 9.187 0.043 1.00 0.00 C ATOM 1919 C ILE B 44 -3.399 10.180 -0.885 1.00 0.00 C ATOM 1920 O ILE B 44 -3.235 11.352 -0.548 1.00 0.00 O ATOM 1921 CB ILE B 44 -3.033 8.271 0.703 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.684 7.385 1.772 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -1.896 9.091 1.304 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -4.368 8.165 2.875 1.00 0.00 C ATOM 0 H ILE B 44 -4.816 7.453 -0.890 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.618 9.726 0.832 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.610 7.630 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.414 6.732 1.294 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.922 6.743 2.212 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -1.167 8.422 1.760 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -1.413 9.673 0.519 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -2.295 9.765 2.062 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.805 7.472 3.594 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.638 8.798 3.379 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -5.154 8.787 2.447 1.00 0.00 H new ATOM 1936 N ILE B 45 -3.018 9.706 -2.066 1.00 0.00 N ATOM 1937 CA ILE B 45 -2.348 10.542 -3.054 1.00 0.00 C ATOM 1938 C ILE B 45 -3.262 11.678 -3.513 1.00 0.00 C ATOM 1939 O ILE B 45 -2.794 12.751 -3.888 1.00 0.00 O ATOM 1940 CB ILE B 45 -1.884 9.702 -4.267 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -0.904 8.619 -3.802 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -1.239 10.587 -5.330 1.00 0.00 C ATOM 1943 CD1 ILE B 45 -0.467 7.680 -4.903 1.00 0.00 C ATOM 0 H ILE B 45 -3.163 8.741 -2.363 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.467 10.976 -2.581 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.756 9.225 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -0.023 9.098 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.369 8.039 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.922 9.972 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.961 11.328 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.373 11.094 -4.905 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.225 6.942 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.339 7.172 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE B 45 0.028 8.248 -5.690 1.00 0.00 H new ATOM 1955 N ALA B 46 -4.569 11.448 -3.436 1.00 0.00 N ATOM 1956 CA ALA B 46 -5.547 12.464 -3.801 1.00 0.00 C ATOM 1957 C ALA B 46 -5.571 13.597 -2.774 1.00 0.00 C ATOM 1958 O ALA B 46 -6.088 14.682 -3.040 1.00 0.00 O ATOM 1959 CB ALA B 46 -6.925 11.835 -3.937 1.00 0.00 C ATOM 0 H ALA B 46 -4.975 10.566 -3.124 1.00 0.00 H new ATOM 0 HA ALA B 46 -5.258 12.891 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.650 12.602 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -6.900 11.068 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.214 11.384 -2.988 1.00 0.00 H new ATOM 1965 N GLN B 47 -5.011 13.337 -1.597 1.00 0.00 N ATOM 1966 CA GLN B 47 -4.931 14.340 -0.542 1.00 0.00 C ATOM 1967 C GLN B 47 -3.620 15.110 -0.649 1.00 0.00 C ATOM 1968 O GLN B 47 -3.513 16.255 -0.205 1.00 0.00 O ATOM 1969 CB GLN B 47 -5.038 13.675 0.830 1.00 0.00 C ATOM 1970 CG GLN B 47 -6.293 12.838 0.996 1.00 0.00 C ATOM 1971 CD GLN B 47 -6.314 12.059 2.297 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -5.762 12.493 3.305 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -6.939 10.892 2.277 1.00 0.00 N ATOM 0 H GLN B 47 -4.604 12.435 -1.349 1.00 0.00 H new ATOM 0 HA GLN B 47 -5.761 15.037 -0.659 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -4.164 13.043 0.988 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -5.018 14.445 1.602 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -7.166 13.489 0.954 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -6.373 12.143 0.160 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -7.385 10.567 1.419 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -6.974 10.318 3.119 1.00 0.00 H new ATOM 1982 N VAL B 48 -2.626 14.459 -1.239 1.00 0.00 N ATOM 1983 CA VAL B 48 -1.323 15.069 -1.483 1.00 0.00 C ATOM 1984 C VAL B 48 -1.477 16.226 -2.475 1.00 0.00 C ATOM 1985 O VAL B 48 -2.298 16.138 -3.383 1.00 0.00 O ATOM 1986 CB VAL B 48 -0.337 14.021 -2.055 1.00 0.00 C ATOM 1987 CG1 VAL B 48 1.070 14.581 -2.190 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.328 12.769 -1.191 1.00 0.00 C ATOM 0 H VAL B 48 -2.699 13.494 -1.562 1.00 0.00 H new ATOM 0 HA VAL B 48 -0.927 15.446 -0.540 1.00 0.00 H new ATOM 0 HB VAL B 48 -0.684 13.759 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL B 48 1.730 13.814 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL B 48 1.057 15.439 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL B 48 1.433 14.892 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.371 12.044 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.020 13.028 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.328 12.337 -1.167 1.00 0.00 H new ATOM 1998 N PRO B 49 -0.735 17.337 -2.284 1.00 0.00 N ATOM 1999 CA PRO B 49 -0.736 18.474 -3.214 1.00 0.00 C ATOM 2000 C PRO B 49 -0.776 18.043 -4.680 1.00 0.00 C ATOM 2001 O PRO B 49 0.064 17.259 -5.132 1.00 0.00 O ATOM 2002 CB PRO B 49 0.583 19.163 -2.891 1.00 0.00 C ATOM 2003 CG PRO B 49 0.784 18.918 -1.435 1.00 0.00 C ATOM 2004 CD PRO B 49 0.140 17.588 -1.125 1.00 0.00 C ATOM 0 HA PRO B 49 -1.616 19.106 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO B 49 1.402 18.749 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.538 20.229 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO B 49 1.846 18.901 -1.189 1.00 0.00 H new ATOM 0 HG3 PRO B 49 0.332 19.714 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO B 49 0.885 16.801 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -0.429 17.627 -0.196 1.00 0.00 H new ATOM 2012 N GLU B 50 -1.754 18.569 -5.411 1.00 0.00 N ATOM 2013 CA GLU B 50 -2.052 18.131 -6.772 1.00 0.00 C ATOM 2014 C GLU B 50 -0.834 18.194 -7.686 1.00 0.00 C ATOM 2015 O GLU B 50 -0.617 17.297 -8.505 1.00 0.00 O ATOM 2016 CB GLU B 50 -3.194 18.973 -7.349 1.00 0.00 C ATOM 2017 CG GLU B 50 -3.713 18.459 -8.682 1.00 0.00 C ATOM 2018 CD GLU B 50 -5.043 19.075 -9.070 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -6.095 18.537 -8.661 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -5.046 20.084 -9.799 1.00 0.00 O ATOM 0 H GLU B 50 -2.365 19.314 -5.076 1.00 0.00 H new ATOM 0 HA GLU B 50 -2.354 17.085 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -4.015 18.996 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -2.851 20.000 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -2.979 18.671 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -3.820 17.375 -8.632 1.00 0.00 H new ATOM 2027 N SER B 51 -0.030 19.231 -7.525 1.00 0.00 N ATOM 2028 CA SER B 51 1.123 19.451 -8.386 1.00 0.00 C ATOM 2029 C SER B 51 2.147 18.315 -8.276 1.00 0.00 C ATOM 2030 O SER B 51 2.903 18.063 -9.216 1.00 0.00 O ATOM 2031 CB SER B 51 1.777 20.794 -8.043 1.00 0.00 C ATOM 2032 OG SER B 51 2.826 21.108 -8.946 1.00 0.00 O ATOM 0 H SER B 51 -0.155 19.939 -6.801 1.00 0.00 H new ATOM 0 HA SER B 51 0.771 19.469 -9.418 1.00 0.00 H new ATOM 0 HB2 SER B 51 1.025 21.583 -8.069 1.00 0.00 H new ATOM 0 HB3 SER B 51 2.169 20.760 -7.026 1.00 0.00 H new ATOM 0 HG SER B 51 3.221 21.971 -8.701 1.00 0.00 H new ATOM 2038 N LYS B 52 2.166 17.612 -7.147 1.00 0.00 N ATOM 2039 CA LYS B 52 3.158 16.565 -6.941 1.00 0.00 C ATOM 2040 C LYS B 52 2.526 15.171 -6.955 1.00 0.00 C ATOM 2041 O LYS B 52 3.222 14.175 -6.769 1.00 0.00 O ATOM 2042 CB LYS B 52 3.913 16.780 -5.623 1.00 0.00 C ATOM 2043 CG LYS B 52 3.044 16.625 -4.383 1.00 0.00 C ATOM 2044 CD LYS B 52 3.875 16.577 -3.105 1.00 0.00 C ATOM 2045 CE LYS B 52 4.505 17.920 -2.771 1.00 0.00 C ATOM 2046 NZ LYS B 52 5.344 17.845 -1.546 1.00 0.00 N ATOM 0 H LYS B 52 1.516 17.746 -6.372 1.00 0.00 H new ATOM 0 HA LYS B 52 3.862 16.626 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.738 16.070 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS B 52 4.351 17.778 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS B 52 2.341 17.456 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS B 52 2.453 15.713 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS B 52 3.243 16.259 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS B 52 4.659 15.828 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS B 52 5.115 18.254 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS B 52 3.721 18.664 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 5.757 18.779 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 4.756 17.550 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.107 17.153 -1.690 1.00 0.00 H new ATOM 2060 N ARG B 53 1.215 15.097 -7.193 1.00 0.00 N ATOM 2061 CA ARG B 53 0.500 13.815 -7.155 1.00 0.00 C ATOM 2062 C ARG B 53 1.076 12.820 -8.158 1.00 0.00 C ATOM 2063 O ARG B 53 1.259 11.647 -7.841 1.00 0.00 O ATOM 2064 CB ARG B 53 -0.998 14.005 -7.409 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.709 14.720 -6.275 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.207 14.845 -6.519 1.00 0.00 C ATOM 2067 NE ARG B 53 -3.845 15.659 -5.487 1.00 0.00 N ATOM 2068 CZ ARG B 53 -4.898 16.448 -5.690 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.514 16.450 -6.863 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.338 17.225 -4.710 1.00 0.00 N ATOM 0 H ARG B 53 0.628 15.902 -7.413 1.00 0.00 H new ATOM 0 HA ARG B 53 0.634 13.408 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -1.135 14.571 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -1.461 13.030 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.539 14.179 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.280 15.714 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.383 15.291 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -3.659 13.853 -6.535 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.456 15.620 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -5.182 15.846 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -6.320 17.056 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -4.870 17.217 -3.804 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -6.144 17.831 -4.862 1.00 0.00 H new ATOM 2084 N VAL B 54 1.377 13.295 -9.360 1.00 0.00 N ATOM 2085 CA VAL B 54 1.926 12.435 -10.402 1.00 0.00 C ATOM 2086 C VAL B 54 3.344 11.991 -10.039 1.00 0.00 C ATOM 2087 O VAL B 54 3.744 10.852 -10.294 1.00 0.00 O ATOM 2088 CB VAL B 54 1.946 13.151 -11.772 1.00 0.00 C ATOM 2089 CG1 VAL B 54 2.424 12.211 -12.872 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.572 13.710 -12.101 1.00 0.00 C ATOM 0 H VAL B 54 1.251 14.268 -9.638 1.00 0.00 H new ATOM 0 HA VAL B 54 1.280 11.560 -10.477 1.00 0.00 H new ATOM 0 HB VAL B 54 2.650 13.981 -11.711 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.429 12.739 -13.825 1.00 0.00 H new ATOM 0 HG12 VAL B 54 3.432 11.866 -12.643 1.00 0.00 H new ATOM 0 HG13 VAL B 54 1.753 11.354 -12.935 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.605 14.210 -13.069 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -0.153 12.896 -12.138 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.276 14.425 -11.333 1.00 0.00 H new ATOM 2100 N ALA B 55 4.088 12.890 -9.411 1.00 0.00 N ATOM 2101 CA ALA B 55 5.464 12.613 -9.035 1.00 0.00 C ATOM 2102 C ALA B 55 5.533 11.591 -7.905 1.00 0.00 C ATOM 2103 O ALA B 55 6.288 10.621 -7.981 1.00 0.00 O ATOM 2104 CB ALA B 55 6.171 13.900 -8.636 1.00 0.00 C ATOM 0 H ALA B 55 3.759 13.820 -9.151 1.00 0.00 H new ATOM 0 HA ALA B 55 5.972 12.187 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.201 13.678 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA B 55 6.165 14.594 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.655 14.351 -7.789 1.00 0.00 H new ATOM 2110 N VAL B 56 4.730 11.798 -6.867 1.00 0.00 N ATOM 2111 CA VAL B 56 4.772 10.932 -5.696 1.00 0.00 C ATOM 2112 C VAL B 56 4.282 9.519 -6.009 1.00 0.00 C ATOM 2113 O VAL B 56 4.801 8.554 -5.454 1.00 0.00 O ATOM 2114 CB VAL B 56 3.973 11.508 -4.502 1.00 0.00 C ATOM 2115 CG1 VAL B 56 4.575 12.827 -4.046 1.00 0.00 C ATOM 2116 CG2 VAL B 56 2.500 11.683 -4.845 1.00 0.00 C ATOM 0 H VAL B 56 4.046 12.553 -6.813 1.00 0.00 H new ATOM 0 HA VAL B 56 5.822 10.881 -5.408 1.00 0.00 H new ATOM 0 HB VAL B 56 4.038 10.791 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL B 56 4.001 13.218 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.608 12.668 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.548 13.543 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.971 12.089 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL B 56 2.401 12.368 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL B 56 2.071 10.717 -5.111 1.00 0.00 H new ATOM 2126 N VAL B 57 3.307 9.386 -6.908 1.00 0.00 N ATOM 2127 CA VAL B 57 2.791 8.064 -7.252 1.00 0.00 C ATOM 2128 C VAL B 57 3.785 7.299 -8.123 1.00 0.00 C ATOM 2129 O VAL B 57 3.951 6.088 -7.969 1.00 0.00 O ATOM 2130 CB VAL B 57 1.406 8.121 -7.951 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.470 8.867 -9.275 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.853 6.717 -8.154 1.00 0.00 C ATOM 0 H VAL B 57 2.866 10.162 -7.402 1.00 0.00 H new ATOM 0 HA VAL B 57 2.656 7.534 -6.309 1.00 0.00 H new ATOM 0 HB VAL B 57 0.732 8.674 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.480 8.884 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.807 9.889 -9.101 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.169 8.363 -9.943 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.118 6.776 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.540 6.142 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.741 6.227 -7.187 1.00 0.00 H new ATOM 2142 N ASP B 58 4.471 8.000 -9.022 1.00 0.00 N ATOM 2143 CA ASP B 58 5.442 7.344 -9.889 1.00 0.00 C ATOM 2144 C ASP B 58 6.671 6.940 -9.090 1.00 0.00 C ATOM 2145 O ASP B 58 7.176 5.829 -9.235 1.00 0.00 O ATOM 2146 CB ASP B 58 5.845 8.242 -11.053 1.00 0.00 C ATOM 2147 CG ASP B 58 6.694 7.516 -12.078 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.198 6.544 -12.696 1.00 0.00 O ATOM 2149 OD2 ASP B 58 7.859 7.912 -12.286 1.00 0.00 O ATOM 0 H ASP B 58 4.375 9.005 -9.167 1.00 0.00 H new ATOM 0 HA ASP B 58 4.972 6.451 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP B 58 4.948 8.629 -11.537 1.00 0.00 H new ATOM 0 HB3 ASP B 58 6.397 9.101 -10.671 1.00 0.00 H new ATOM 2154 N ASN B 59 7.134 7.837 -8.226 1.00 0.00 N ATOM 2155 CA ASN B 59 8.253 7.532 -7.337 1.00 0.00 C ATOM 2156 C ASN B 59 7.879 6.398 -6.394 1.00 0.00 C ATOM 2157 O ASN B 59 8.724 5.586 -6.019 1.00 0.00 O ATOM 2158 CB ASN B 59 8.679 8.768 -6.537 1.00 0.00 C ATOM 2159 CG ASN B 59 9.596 9.690 -7.320 1.00 0.00 C ATOM 2160 OD1 ASN B 59 10.818 9.567 -7.259 1.00 0.00 O ATOM 2161 ND2 ASN B 59 9.016 10.615 -8.066 1.00 0.00 N ATOM 0 H ASN B 59 6.755 8.778 -8.121 1.00 0.00 H new ATOM 0 HA ASN B 59 9.098 7.221 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN B 59 7.791 9.321 -6.231 1.00 0.00 H new ATOM 0 HB3 ASN B 59 9.185 8.448 -5.626 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.586 11.257 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN B 59 7.999 10.686 -8.091 1.00 0.00 H new ATOM 2168 N PHE B 60 6.604 6.343 -6.026 1.00 0.00 N ATOM 2169 CA PHE B 60 6.089 5.263 -5.199 1.00 0.00 C ATOM 2170 C PHE B 60 6.227 3.940 -5.939 1.00 0.00 C ATOM 2171 O PHE B 60 6.784 2.976 -5.416 1.00 0.00 O ATOM 2172 CB PHE B 60 4.619 5.517 -4.860 1.00 0.00 C ATOM 2173 CG PHE B 60 4.066 4.624 -3.790 1.00 0.00 C ATOM 2174 CD1 PHE B 60 4.488 4.749 -2.478 1.00 0.00 C ATOM 2175 CD2 PHE B 60 3.113 3.668 -4.095 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.972 3.935 -1.491 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.594 2.850 -3.111 1.00 0.00 C ATOM 2178 CZ PHE B 60 3.023 2.983 -1.807 1.00 0.00 C ATOM 0 H PHE B 60 5.906 7.039 -6.290 1.00 0.00 H new ATOM 0 HA PHE B 60 6.663 5.219 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.506 6.554 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE B 60 4.023 5.392 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE B 60 5.229 5.492 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.771 3.561 -5.114 1.00 0.00 H new ATOM 0 HE1 PHE B 60 4.310 4.042 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.852 2.106 -3.362 1.00 0.00 H new ATOM 0 HZ PHE B 60 2.618 2.345 -1.036 1.00 0.00 H new ATOM 2188 N THR B 61 5.730 3.910 -7.172 1.00 0.00 N ATOM 2189 CA THR B 61 5.795 2.710 -7.987 1.00 0.00 C ATOM 2190 C THR B 61 7.243 2.345 -8.322 1.00 0.00 C ATOM 2191 O THR B 61 7.593 1.161 -8.390 1.00 0.00 O ATOM 2192 CB THR B 61 4.960 2.857 -9.279 1.00 0.00 C ATOM 2193 OG1 THR B 61 5.370 4.008 -10.027 1.00 0.00 O ATOM 2194 CG2 THR B 61 3.480 2.970 -8.944 1.00 0.00 C ATOM 0 H THR B 61 5.279 4.705 -7.625 1.00 0.00 H new ATOM 0 HA THR B 61 5.366 1.898 -7.400 1.00 0.00 H new ATOM 0 HB THR B 61 5.126 1.967 -9.886 1.00 0.00 H new ATOM 0 HG1 THR B 61 6.105 4.457 -9.560 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.905 3.073 -9.865 1.00 0.00 H new ATOM 0 HG22 THR B 61 3.158 2.074 -8.413 1.00 0.00 H new ATOM 0 HG23 THR B 61 3.315 3.844 -8.314 1.00 0.00 H new ATOM 2202 N LYS B 62 8.083 3.366 -8.522 1.00 0.00 N ATOM 2203 CA LYS B 62 9.514 3.154 -8.724 1.00 0.00 C ATOM 2204 C LYS B 62 10.124 2.434 -7.525 1.00 0.00 C ATOM 2205 O LYS B 62 10.688 1.350 -7.666 1.00 0.00 O ATOM 2206 CB LYS B 62 10.240 4.488 -8.937 1.00 0.00 C ATOM 2207 CG LYS B 62 10.665 4.756 -10.374 1.00 0.00 C ATOM 2208 CD LYS B 62 9.476 4.955 -11.297 1.00 0.00 C ATOM 2209 CE LYS B 62 9.927 5.317 -12.702 1.00 0.00 C ATOM 2210 NZ LYS B 62 8.779 5.606 -13.599 1.00 0.00 N ATOM 0 H LYS B 62 7.794 4.344 -8.548 1.00 0.00 H new ATOM 0 HA LYS B 62 9.635 2.538 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.589 5.298 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS B 62 11.124 4.511 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS B 62 11.298 5.643 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.267 3.922 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.879 4.044 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.834 5.743 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS B 62 10.582 6.188 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.513 4.497 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.041 5.384 -14.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.964 5.024 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.527 6.613 -13.527 1.00 0.00 H new ATOM 2224 N ALA B 63 9.983 3.041 -6.348 1.00 0.00 N ATOM 2225 CA ALA B 63 10.557 2.501 -5.117 1.00 0.00 C ATOM 2226 C ALA B 63 10.009 1.113 -4.808 1.00 0.00 C ATOM 2227 O ALA B 63 10.746 0.234 -4.360 1.00 0.00 O ATOM 2228 CB ALA B 63 10.289 3.442 -3.951 1.00 0.00 C ATOM 0 H ALA B 63 9.472 3.914 -6.221 1.00 0.00 H new ATOM 0 HA ALA B 63 11.633 2.412 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA B 63 10.722 3.027 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.739 4.413 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA B 63 9.214 3.561 -3.819 1.00 0.00 H new ATOM 2234 N LEU B 64 8.715 0.926 -5.056 1.00 0.00 N ATOM 2235 CA LEU B 64 8.064 -0.363 -4.851 1.00 0.00 C ATOM 2236 C LEU B 64 8.792 -1.476 -5.587 1.00 0.00 C ATOM 2237 O LEU B 64 9.390 -2.351 -4.967 1.00 0.00 O ATOM 2238 CB LEU B 64 6.608 -0.313 -5.318 1.00 0.00 C ATOM 2239 CG LEU B 64 5.579 0.002 -4.233 1.00 0.00 C ATOM 2240 CD1 LEU B 64 4.210 0.205 -4.853 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.533 -1.121 -3.208 1.00 0.00 C ATOM 0 H LEU B 64 8.094 1.657 -5.402 1.00 0.00 H new ATOM 0 HA LEU B 64 8.094 -0.575 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.522 0.437 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.355 -1.274 -5.766 1.00 0.00 H new ATOM 0 HG LEU B 64 5.874 0.922 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.486 0.429 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.250 1.035 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.910 -0.703 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.796 -0.884 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU B 64 5.256 -2.053 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.514 -1.233 -2.746 1.00 0.00 H new ATOM 2253 N LYS B 65 8.774 -1.424 -6.912 1.00 0.00 N ATOM 2254 CA LYS B 65 9.321 -2.515 -7.706 1.00 0.00 C ATOM 2255 C LYS B 65 10.841 -2.588 -7.578 1.00 0.00 C ATOM 2256 O LYS B 65 11.441 -3.625 -7.846 1.00 0.00 O ATOM 2257 CB LYS B 65 8.891 -2.390 -9.171 1.00 0.00 C ATOM 2258 CG LYS B 65 7.379 -2.302 -9.332 1.00 0.00 C ATOM 2259 CD LYS B 65 6.908 -2.733 -10.714 1.00 0.00 C ATOM 2260 CE LYS B 65 7.481 -1.869 -11.821 1.00 0.00 C ATOM 2261 NZ LYS B 65 6.890 -2.215 -13.141 1.00 0.00 N ATOM 0 H LYS B 65 8.392 -0.649 -7.454 1.00 0.00 H new ATOM 0 HA LYS B 65 8.917 -3.449 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS B 65 9.351 -1.503 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS B 65 9.263 -3.249 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS B 65 6.901 -2.928 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS B 65 7.057 -1.277 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS B 65 7.194 -3.771 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS B 65 5.819 -2.691 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS B 65 7.291 -0.819 -11.600 1.00 0.00 H new ATOM 0 HE3 LYS B 65 8.563 -1.996 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 7.651 -2.357 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 6.333 -3.089 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 6.272 -1.441 -13.458 1.00 0.00 H new ATOM 2275 N GLN B 66 11.454 -1.495 -7.143 1.00 0.00 N ATOM 2276 CA GLN B 66 12.891 -1.470 -6.896 1.00 0.00 C ATOM 2277 C GLN B 66 13.234 -2.355 -5.695 1.00 0.00 C ATOM 2278 O GLN B 66 14.191 -3.130 -5.731 1.00 0.00 O ATOM 2279 CB GLN B 66 13.360 -0.021 -6.669 1.00 0.00 C ATOM 2280 CG GLN B 66 14.864 0.146 -6.464 1.00 0.00 C ATOM 2281 CD GLN B 66 15.306 -0.113 -5.033 1.00 0.00 C ATOM 2282 OE1 GLN B 66 14.555 0.114 -4.085 1.00 0.00 O ATOM 2283 NE2 GLN B 66 16.533 -0.578 -4.865 1.00 0.00 N ATOM 0 H GLN B 66 10.979 -0.613 -6.954 1.00 0.00 H new ATOM 0 HA GLN B 66 13.413 -1.865 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN B 66 13.056 0.582 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN B 66 12.843 0.380 -5.797 1.00 0.00 H new ATOM 0 HG2 GLN B 66 15.393 -0.536 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN B 66 15.153 1.158 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN B 66 17.127 -0.754 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN B 66 16.885 -0.760 -3.925 1.00 0.00 H new ATOM 2292 N SER B 67 12.437 -2.246 -4.641 1.00 0.00 N ATOM 2293 CA SER B 67 12.671 -3.013 -3.423 1.00 0.00 C ATOM 2294 C SER B 67 12.001 -4.389 -3.485 1.00 0.00 C ATOM 2295 O SER B 67 12.353 -5.292 -2.729 1.00 0.00 O ATOM 2296 CB SER B 67 12.166 -2.231 -2.209 1.00 0.00 C ATOM 2297 OG SER B 67 12.877 -1.008 -2.055 1.00 0.00 O ATOM 0 H SER B 67 11.622 -1.634 -4.604 1.00 0.00 H new ATOM 0 HA SER B 67 13.745 -3.174 -3.328 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.102 -2.025 -2.323 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.279 -2.837 -1.310 1.00 0.00 H new ATOM 0 HG SER B 67 13.385 -0.820 -2.872 1.00 0.00 H new ATOM 2303 N VAL B 68 11.033 -4.544 -4.382 1.00 0.00 N ATOM 2304 CA VAL B 68 10.332 -5.815 -4.530 1.00 0.00 C ATOM 2305 C VAL B 68 11.120 -6.794 -5.398 1.00 0.00 C ATOM 2306 O VAL B 68 11.323 -7.942 -5.003 1.00 0.00 O ATOM 2307 CB VAL B 68 8.914 -5.632 -5.116 1.00 0.00 C ATOM 2308 CG1 VAL B 68 8.302 -6.975 -5.488 1.00 0.00 C ATOM 2309 CG2 VAL B 68 8.017 -4.908 -4.125 1.00 0.00 C ATOM 0 H VAL B 68 10.717 -3.809 -5.015 1.00 0.00 H new ATOM 0 HA VAL B 68 10.239 -6.229 -3.526 1.00 0.00 H new ATOM 0 HB VAL B 68 9.000 -5.029 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL B 68 7.304 -6.819 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL B 68 8.928 -7.466 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL B 68 8.235 -7.603 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL B 68 7.022 -4.788 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL B 68 7.947 -5.489 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL B 68 8.437 -3.927 -3.903 1.00 0.00 H new