USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -0.802 X(o=-0.58,f=-0.24) USER MOD Set 1.2: A 83 SER OG : rot -56:sc= 0.225 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -3.85 K(o=-3.9,f=-4.6!) USER MOD Set 3.1: A 33 MET CE :methyl 148:sc= -0.191 (180deg=-0.596) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -2.47 K(o=-2.7,f=-4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -170:sc= -0.167 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 20:sc= 0.301! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -22:sc= 0.578 USER MOD Single : A 36 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=-0.062) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 167:sc= 0 (180deg=-0.11) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.62) USER MOD Single : A 56 SER OG : rot 56:sc= 0.0237 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.1) USER MOD Single : A 66 MET CE :methyl 148:sc= -0.585 (180deg=-1.23) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.00336 X(o=-0.0034,f=-0.067) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.000391 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.435 -5.784 -5.520 1.00 0.00 N ATOM 142 CA ALA A 13 -2.049 -6.104 -5.205 1.00 0.00 C ATOM 143 C ALA A 13 -1.763 -7.585 -5.426 1.00 0.00 C ATOM 144 O ALA A 13 -2.683 -8.389 -5.585 1.00 0.00 O ATOM 145 CB ALA A 13 -1.729 -5.711 -3.771 1.00 0.00 C ATOM 0 HA ALA A 13 -1.409 -5.533 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.690 -5.956 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.884 -4.640 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.383 -6.255 -3.090 1.00 0.00 H new ATOM 151 N THR A 14 -0.482 -7.942 -5.436 1.00 0.00 N ATOM 152 CA THR A 14 -0.076 -9.326 -5.640 1.00 0.00 C ATOM 153 C THR A 14 0.765 -9.829 -4.472 1.00 0.00 C ATOM 154 O THR A 14 1.368 -9.042 -3.743 1.00 0.00 O ATOM 155 CB THR A 14 0.727 -9.490 -6.944 1.00 0.00 C ATOM 156 OG1 THR A 14 0.002 -8.923 -8.040 1.00 0.00 O ATOM 157 CG2 THR A 14 1.012 -10.958 -7.223 1.00 0.00 C ATOM 0 H THR A 14 0.292 -7.291 -5.305 1.00 0.00 H new ATOM 0 HA THR A 14 -0.989 -9.917 -5.708 1.00 0.00 H new ATOM 0 HB THR A 14 1.677 -8.968 -6.828 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.520 -9.030 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.580 -11.049 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.589 -11.379 -6.400 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.071 -11.499 -7.320 1.00 0.00 H new ATOM 165 N VAL A 15 0.803 -11.147 -4.300 1.00 0.00 N ATOM 166 CA VAL A 15 1.572 -11.756 -3.221 1.00 0.00 C ATOM 167 C VAL A 15 3.025 -11.965 -3.633 1.00 0.00 C ATOM 168 O VAL A 15 3.309 -12.395 -4.750 1.00 0.00 O ATOM 169 CB VAL A 15 0.970 -13.108 -2.797 1.00 0.00 C ATOM 170 CG1 VAL A 15 1.016 -14.099 -3.950 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.701 -13.658 -1.581 1.00 0.00 C ATOM 0 H VAL A 15 0.310 -11.813 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 15 1.532 -11.069 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.074 -12.952 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.586 -15.049 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.444 -13.706 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.051 -14.254 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.263 -14.614 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.754 -13.800 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.610 -12.955 -0.753 1.00 0.00 H new ATOM 181 N GLY A 16 3.943 -11.659 -2.721 1.00 0.00 N ATOM 182 CA GLY A 16 5.356 -11.820 -3.008 1.00 0.00 C ATOM 183 C GLY A 16 5.924 -10.657 -3.796 1.00 0.00 C ATOM 184 O GLY A 16 7.074 -10.264 -3.595 1.00 0.00 O ATOM 0 H GLY A 16 3.733 -11.303 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.904 -11.923 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.507 -12.743 -3.568 1.00 0.00 H new ATOM 188 N SER A 17 5.119 -10.105 -4.698 1.00 0.00 N ATOM 189 CA SER A 17 5.550 -8.984 -5.524 1.00 0.00 C ATOM 190 C SER A 17 5.403 -7.666 -4.769 1.00 0.00 C ATOM 191 O SER A 17 4.458 -7.479 -4.003 1.00 0.00 O ATOM 192 CB SER A 17 4.739 -8.935 -6.820 1.00 0.00 C ATOM 193 OG SER A 17 5.276 -9.817 -7.791 1.00 0.00 O ATOM 0 H SER A 17 4.164 -10.416 -4.875 1.00 0.00 H new ATOM 0 HA SER A 17 6.602 -9.129 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.703 -9.203 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.734 -7.918 -7.211 1.00 0.00 H new ATOM 0 HG SER A 17 4.739 -9.769 -8.609 1.00 0.00 H new ATOM 199 N ILE A 18 6.345 -6.756 -4.992 1.00 0.00 N ATOM 200 CA ILE A 18 6.321 -5.455 -4.335 1.00 0.00 C ATOM 201 C ILE A 18 5.130 -4.625 -4.802 1.00 0.00 C ATOM 202 O ILE A 18 4.943 -4.409 -6.000 1.00 0.00 O ATOM 203 CB ILE A 18 7.617 -4.666 -4.600 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.827 -5.440 -4.072 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.540 -3.290 -3.956 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.880 -5.523 -2.563 1.00 0.00 C ATOM 0 H ILE A 18 7.134 -6.896 -5.623 1.00 0.00 H new ATOM 0 HA ILE A 18 6.232 -5.644 -3.265 1.00 0.00 H new ATOM 0 HB ILE A 18 7.733 -4.536 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.810 -6.449 -4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.738 -4.964 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.463 -2.744 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.697 -2.739 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.404 -3.399 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.763 -6.085 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.929 -4.518 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.986 -6.026 -2.195 1.00 0.00 H new ATOM 218 N CYS A 19 4.329 -4.162 -3.849 1.00 0.00 N ATOM 219 CA CYS A 19 3.156 -3.354 -4.163 1.00 0.00 C ATOM 220 C CYS A 19 3.487 -1.866 -4.102 1.00 0.00 C ATOM 221 O CYS A 19 4.171 -1.410 -3.186 1.00 0.00 O ATOM 222 CB CYS A 19 2.016 -3.674 -3.194 1.00 0.00 C ATOM 223 SG CYS A 19 0.421 -2.970 -3.672 1.00 0.00 S ATOM 0 H CYS A 19 4.470 -4.332 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 19 2.841 -3.596 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.914 -4.756 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.281 -3.305 -2.203 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.427 -3.114 -2.697 1.00 0.00 H new ATOM 229 N ASP A 20 3.000 -1.117 -5.085 1.00 0.00 N ATOM 230 CA ASP A 20 3.246 0.320 -5.144 1.00 0.00 C ATOM 231 C ASP A 20 1.953 1.101 -4.929 1.00 0.00 C ATOM 232 O ASP A 20 0.984 0.935 -5.671 1.00 0.00 O ATOM 233 CB ASP A 20 3.867 0.697 -6.490 1.00 0.00 C ATOM 234 CG ASP A 20 3.395 -0.199 -7.617 1.00 0.00 C ATOM 235 OD1 ASP A 20 2.284 0.034 -8.135 1.00 0.00 O ATOM 236 OD2 ASP A 20 4.137 -1.136 -7.981 1.00 0.00 O ATOM 0 H ASP A 20 2.433 -1.480 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 20 3.942 0.579 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.618 1.732 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.953 0.639 -6.415 1.00 0.00 H new ATOM 241 N LEU A 21 1.945 1.952 -3.909 1.00 0.00 N ATOM 242 CA LEU A 21 0.771 2.759 -3.595 1.00 0.00 C ATOM 243 C LEU A 21 0.800 4.081 -4.354 1.00 0.00 C ATOM 244 O LEU A 21 1.868 4.602 -4.672 1.00 0.00 O ATOM 245 CB LEU A 21 0.697 3.023 -2.090 1.00 0.00 C ATOM 246 CG LEU A 21 -0.698 3.292 -1.524 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.602 2.088 -1.737 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.614 3.643 -0.045 1.00 0.00 C ATOM 0 H LEU A 21 2.738 2.101 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.114 2.204 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.119 2.163 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.332 3.878 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.128 4.141 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.590 2.298 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.687 1.881 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.177 1.220 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.616 3.831 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.164 2.814 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.002 4.536 0.083 1.00 0.00 H new ATOM 260 N ASN A 22 -0.381 4.620 -4.639 1.00 0.00 N ATOM 261 CA ASN A 22 -0.490 5.884 -5.360 1.00 0.00 C ATOM 262 C ASN A 22 -0.883 7.016 -4.416 1.00 0.00 C ATOM 263 O ASN A 22 -2.024 7.088 -3.956 1.00 0.00 O ATOM 264 CB ASN A 22 -1.518 5.764 -6.487 1.00 0.00 C ATOM 265 CG ASN A 22 -0.953 5.074 -7.713 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.657 5.717 -8.720 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.803 3.757 -7.634 1.00 0.00 N ATOM 0 H ASN A 22 -1.275 4.202 -4.382 1.00 0.00 H new ATOM 0 HA ASN A 22 0.485 6.115 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.384 5.208 -6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.869 6.758 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.429 3.238 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.062 3.265 -6.779 1.00 0.00 H new ATOM 274 N LEU A 23 0.068 7.898 -4.131 1.00 0.00 N ATOM 275 CA LEU A 23 -0.178 9.028 -3.242 1.00 0.00 C ATOM 276 C LEU A 23 0.371 10.320 -3.839 1.00 0.00 C ATOM 277 O LEU A 23 1.382 10.312 -4.542 1.00 0.00 O ATOM 278 CB LEU A 23 0.457 8.775 -1.874 1.00 0.00 C ATOM 279 CG LEU A 23 0.071 7.464 -1.187 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.938 7.229 0.040 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.402 7.475 -0.808 1.00 0.00 C ATOM 0 H LEU A 23 1.017 7.853 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.256 9.134 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.541 8.796 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.190 9.600 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 23 0.239 6.646 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.649 6.292 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.985 7.176 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.802 8.050 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.659 6.535 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.596 8.303 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.008 7.596 -1.706 1.00 0.00 H new ATOM 293 N LYS A 24 -0.300 11.431 -3.552 1.00 0.00 N ATOM 294 CA LYS A 24 0.121 12.732 -4.057 1.00 0.00 C ATOM 295 C LYS A 24 -0.363 13.853 -3.143 1.00 0.00 C ATOM 296 O LYS A 24 -1.564 14.109 -3.043 1.00 0.00 O ATOM 297 CB LYS A 24 -0.411 12.949 -5.475 1.00 0.00 C ATOM 298 CG LYS A 24 -1.928 12.981 -5.557 1.00 0.00 C ATOM 299 CD LYS A 24 -2.411 12.873 -6.993 1.00 0.00 C ATOM 300 CE LYS A 24 -2.564 11.422 -7.422 1.00 0.00 C ATOM 301 NZ LYS A 24 -3.496 11.279 -8.575 1.00 0.00 N ATOM 0 H LYS A 24 -1.138 11.456 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 24 1.211 12.750 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.015 13.887 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.037 12.154 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.342 12.161 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.298 13.907 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.367 13.387 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.706 13.377 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.588 11.018 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.932 10.832 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.573 10.275 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.434 11.641 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.132 11.821 -9.385 1.00 0.00 H new ATOM 315 N ILE A 25 0.577 14.518 -2.480 1.00 0.00 N ATOM 316 CA ILE A 25 0.244 15.613 -1.577 1.00 0.00 C ATOM 317 C ILE A 25 1.382 16.625 -1.498 1.00 0.00 C ATOM 318 O ILE A 25 2.412 16.390 -0.865 1.00 0.00 O ATOM 319 CB ILE A 25 -0.069 15.098 -0.160 1.00 0.00 C ATOM 320 CG1 ILE A 25 -0.929 13.835 -0.231 1.00 0.00 C ATOM 321 CG2 ILE A 25 -0.770 16.177 0.653 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.137 13.169 1.111 1.00 0.00 C ATOM 0 H ILE A 25 1.575 14.318 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.644 16.098 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 25 0.869 14.849 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.900 14.090 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.460 13.124 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.985 15.798 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.125 17.053 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.703 16.454 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.756 12.281 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.172 12.883 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.634 13.863 1.789 1.00 0.00 H new ATOM 334 N PRO A 26 1.194 17.779 -2.154 1.00 0.00 N ATOM 335 CA PRO A 26 2.192 18.852 -2.172 1.00 0.00 C ATOM 336 C PRO A 26 2.336 19.533 -0.815 1.00 0.00 C ATOM 337 O PRO A 26 3.407 20.029 -0.470 1.00 0.00 O ATOM 338 CB PRO A 26 1.640 19.835 -3.207 1.00 0.00 C ATOM 339 CG PRO A 26 0.170 19.593 -3.213 1.00 0.00 C ATOM 340 CD PRO A 26 -0.009 18.127 -2.929 1.00 0.00 C ATOM 0 HA PRO A 26 3.188 18.477 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.870 20.865 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.074 19.659 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.329 20.201 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.266 19.860 -4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.921 17.936 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.077 17.545 -3.848 1.00 0.00 H new ATOM 348 N GLU A 27 1.248 19.553 -0.050 1.00 0.00 N ATOM 349 CA GLU A 27 1.254 20.174 1.269 1.00 0.00 C ATOM 350 C GLU A 27 2.076 19.349 2.255 1.00 0.00 C ATOM 351 O GLU A 27 2.798 19.897 3.089 1.00 0.00 O ATOM 352 CB GLU A 27 -0.176 20.334 1.789 1.00 0.00 C ATOM 353 CG GLU A 27 -0.941 21.467 1.126 1.00 0.00 C ATOM 354 CD GLU A 27 -0.190 22.783 1.172 1.00 0.00 C ATOM 355 OE1 GLU A 27 0.487 23.046 2.188 1.00 0.00 O ATOM 356 OE2 GLU A 27 -0.279 23.550 0.190 1.00 0.00 O ATOM 0 H GLU A 27 0.353 19.147 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 27 1.711 21.159 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.717 19.401 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.145 20.508 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.144 21.205 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.906 21.586 1.619 1.00 0.00 H new ATOM 363 N ILE A 28 1.961 18.029 2.154 1.00 0.00 N ATOM 364 CA ILE A 28 2.693 17.129 3.035 1.00 0.00 C ATOM 365 C ILE A 28 3.887 16.507 2.318 1.00 0.00 C ATOM 366 O ILE A 28 3.823 16.216 1.125 1.00 0.00 O ATOM 367 CB ILE A 28 1.787 16.004 3.570 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.748 16.573 4.538 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.621 14.929 4.251 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.473 15.694 4.699 1.00 0.00 C ATOM 0 H ILE A 28 1.367 17.559 1.470 1.00 0.00 H new ATOM 0 HA ILE A 28 3.048 17.729 3.873 1.00 0.00 H new ATOM 0 HB ILE A 28 1.263 15.550 2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.213 16.718 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.434 17.556 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.966 14.142 4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.325 14.506 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.170 15.368 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.167 16.159 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.962 15.570 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.171 14.719 5.081 1.00 0.00 H new ATOM 382 N ASN A 29 4.974 16.306 3.056 1.00 0.00 N ATOM 383 CA ASN A 29 6.182 15.717 2.490 1.00 0.00 C ATOM 384 C ASN A 29 6.345 14.269 2.943 1.00 0.00 C ATOM 385 O ASN A 29 5.475 13.717 3.616 1.00 0.00 O ATOM 386 CB ASN A 29 7.411 16.532 2.900 1.00 0.00 C ATOM 387 CG ASN A 29 7.725 17.640 1.913 1.00 0.00 C ATOM 388 OD1 ASN A 29 8.207 17.384 0.809 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.452 18.878 2.307 1.00 0.00 N ATOM 0 H ASN A 29 5.043 16.542 4.046 1.00 0.00 H new ATOM 0 HA ASN A 29 6.089 15.731 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.244 16.964 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.272 15.869 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.641 19.664 1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.053 19.043 3.231 1.00 0.00 H new ATOM 396 N SER A 30 7.466 13.660 2.568 1.00 0.00 N ATOM 397 CA SER A 30 7.742 12.275 2.932 1.00 0.00 C ATOM 398 C SER A 30 8.471 12.200 4.270 1.00 0.00 C ATOM 399 O SER A 30 8.593 11.129 4.864 1.00 0.00 O ATOM 400 CB SER A 30 8.577 11.597 1.845 1.00 0.00 C ATOM 401 OG SER A 30 9.351 10.538 2.382 1.00 0.00 O ATOM 0 H SER A 30 8.197 14.104 2.013 1.00 0.00 H new ATOM 0 HA SER A 30 6.790 11.753 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.920 11.212 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.234 12.330 1.376 1.00 0.00 H new ATOM 0 HG SER A 30 8.972 10.259 3.242 1.00 0.00 H new ATOM 407 N SER A 31 8.954 13.347 4.739 1.00 0.00 N ATOM 408 CA SER A 31 9.675 13.412 6.005 1.00 0.00 C ATOM 409 C SER A 31 8.706 13.401 7.183 1.00 0.00 C ATOM 410 O SER A 31 9.034 12.915 8.266 1.00 0.00 O ATOM 411 CB SER A 31 10.544 14.670 6.057 1.00 0.00 C ATOM 412 OG SER A 31 11.572 14.620 5.083 1.00 0.00 O ATOM 0 H SER A 31 8.859 14.243 4.261 1.00 0.00 H new ATOM 0 HA SER A 31 10.316 12.533 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.924 15.551 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.983 14.772 7.049 1.00 0.00 H new ATOM 0 HG SER A 31 12.112 15.436 5.135 1.00 0.00 H new ATOM 418 N ASP A 32 7.512 13.939 6.964 1.00 0.00 N ATOM 419 CA ASP A 32 6.493 13.990 8.006 1.00 0.00 C ATOM 420 C ASP A 32 5.495 12.848 7.848 1.00 0.00 C ATOM 421 O ASP A 32 4.638 12.636 8.705 1.00 0.00 O ATOM 422 CB ASP A 32 5.761 15.333 7.967 1.00 0.00 C ATOM 423 CG ASP A 32 5.650 15.891 6.562 1.00 0.00 C ATOM 424 OD1 ASP A 32 5.595 15.088 5.608 1.00 0.00 O ATOM 425 OD2 ASP A 32 5.619 17.132 6.417 1.00 0.00 O ATOM 0 H ASP A 32 7.225 14.346 6.074 1.00 0.00 H new ATOM 0 HA ASP A 32 6.989 13.883 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.762 15.211 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.287 16.049 8.599 1.00 0.00 H new ATOM 430 N MET A 33 5.612 12.115 6.745 1.00 0.00 N ATOM 431 CA MET A 33 4.720 10.994 6.474 1.00 0.00 C ATOM 432 C MET A 33 5.257 9.709 7.098 1.00 0.00 C ATOM 433 O MET A 33 6.455 9.584 7.350 1.00 0.00 O ATOM 434 CB MET A 33 4.543 10.807 4.966 1.00 0.00 C ATOM 435 CG MET A 33 3.542 11.770 4.348 1.00 0.00 C ATOM 436 SD MET A 33 3.569 11.738 2.546 1.00 0.00 S ATOM 437 CE MET A 33 3.355 9.987 2.235 1.00 0.00 C ATOM 0 H MET A 33 6.316 12.278 6.025 1.00 0.00 H new ATOM 0 HA MET A 33 3.751 11.217 6.921 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.508 10.935 4.476 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.220 9.785 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.540 11.520 4.697 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.756 12.782 4.693 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.805 9.847 1.305 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.332 9.510 2.154 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.798 9.537 3.057 1.00 0.00 H new ATOM 447 N SER A 34 4.363 8.757 7.344 1.00 0.00 N ATOM 448 CA SER A 34 4.747 7.484 7.942 1.00 0.00 C ATOM 449 C SER A 34 3.721 6.402 7.620 1.00 0.00 C ATOM 450 O SER A 34 2.558 6.497 8.012 1.00 0.00 O ATOM 451 CB SER A 34 4.891 7.631 9.458 1.00 0.00 C ATOM 452 OG SER A 34 5.790 8.676 9.785 1.00 0.00 O ATOM 0 H SER A 34 3.368 8.843 7.138 1.00 0.00 H new ATOM 0 HA SER A 34 5.707 7.187 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.916 7.834 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.247 6.694 9.885 1.00 0.00 H new ATOM 0 HG SER A 34 6.380 8.850 9.022 1.00 0.00 H new ATOM 458 N ALA A 35 4.160 5.372 6.903 1.00 0.00 N ATOM 459 CA ALA A 35 3.282 4.271 6.530 1.00 0.00 C ATOM 460 C ALA A 35 3.616 3.010 7.321 1.00 0.00 C ATOM 461 O ALA A 35 4.784 2.718 7.578 1.00 0.00 O ATOM 462 CB ALA A 35 3.381 4.000 5.036 1.00 0.00 C ATOM 0 H ALA A 35 5.119 5.278 6.569 1.00 0.00 H new ATOM 0 HA ALA A 35 2.258 4.558 6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.720 3.175 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.086 4.893 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.408 3.738 4.781 1.00 0.00 H new ATOM 468 N HIS A 36 2.583 2.268 7.705 1.00 0.00 N ATOM 469 CA HIS A 36 2.767 1.038 8.468 1.00 0.00 C ATOM 470 C HIS A 36 1.880 -0.077 7.923 1.00 0.00 C ATOM 471 O HIS A 36 0.659 0.065 7.853 1.00 0.00 O ATOM 472 CB HIS A 36 2.455 1.278 9.946 1.00 0.00 C ATOM 473 CG HIS A 36 3.217 2.422 10.540 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.620 3.604 10.925 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.534 2.561 10.817 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.537 4.421 11.411 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.708 3.811 11.357 1.00 0.00 N ATOM 0 H HIS A 36 1.610 2.496 7.501 1.00 0.00 H new ATOM 0 HA HIS A 36 3.808 0.731 8.370 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.387 1.466 10.058 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.679 0.372 10.508 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.305 1.825 10.645 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.360 5.417 11.788 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.597 4.205 11.666 1.00 0.00 H new ATOM 486 N VAL A 37 2.501 -1.187 7.538 1.00 0.00 N ATOM 487 CA VAL A 37 1.768 -2.327 7.000 1.00 0.00 C ATOM 488 C VAL A 37 1.319 -3.266 8.113 1.00 0.00 C ATOM 489 O VAL A 37 2.100 -4.079 8.609 1.00 0.00 O ATOM 490 CB VAL A 37 2.622 -3.117 5.990 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.869 -4.343 5.498 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.026 -2.227 4.824 1.00 0.00 C ATOM 0 H VAL A 37 3.511 -1.321 7.589 1.00 0.00 H new ATOM 0 HA VAL A 37 0.891 -1.928 6.490 1.00 0.00 H new ATOM 0 HB VAL A 37 3.529 -3.454 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.488 -4.888 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.634 -4.989 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.945 -4.031 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.629 -2.801 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.132 -1.859 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.607 -1.383 5.195 1.00 0.00 H new ATOM 502 N THR A 38 0.053 -3.150 8.503 1.00 0.00 N ATOM 503 CA THR A 38 -0.502 -3.989 9.558 1.00 0.00 C ATOM 504 C THR A 38 -1.155 -5.239 8.981 1.00 0.00 C ATOM 505 O THR A 38 -2.082 -5.151 8.175 1.00 0.00 O ATOM 506 CB THR A 38 -1.541 -3.221 10.397 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.070 -1.896 10.668 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.819 -3.944 11.707 1.00 0.00 C ATOM 0 H THR A 38 -0.607 -2.483 8.104 1.00 0.00 H new ATOM 0 HA THR A 38 0.329 -4.281 10.200 1.00 0.00 H new ATOM 0 HB THR A 38 -2.468 -3.166 9.826 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.737 -1.414 11.200 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.555 -3.383 12.283 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.205 -4.941 11.497 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.896 -4.026 12.281 1.00 0.00 H new ATOM 516 N SER A 39 -0.667 -6.403 9.398 1.00 0.00 N ATOM 517 CA SER A 39 -1.201 -7.672 8.919 1.00 0.00 C ATOM 518 C SER A 39 -2.441 -8.073 9.714 1.00 0.00 C ATOM 519 O SER A 39 -2.665 -7.617 10.835 1.00 0.00 O ATOM 520 CB SER A 39 -0.139 -8.768 9.021 1.00 0.00 C ATOM 521 OG SER A 39 0.682 -8.792 7.867 1.00 0.00 O ATOM 0 H SER A 39 0.098 -6.493 10.067 1.00 0.00 H new ATOM 0 HA SER A 39 -1.484 -7.548 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.476 -8.601 9.905 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.623 -9.737 9.147 1.00 0.00 H new ATOM 0 HG SER A 39 1.353 -9.500 7.958 1.00 0.00 H new ATOM 527 N PRO A 40 -3.266 -8.948 9.119 1.00 0.00 N ATOM 528 CA PRO A 40 -4.497 -9.431 9.752 1.00 0.00 C ATOM 529 C PRO A 40 -4.217 -10.350 10.937 1.00 0.00 C ATOM 530 O PRO A 40 -5.119 -10.677 11.708 1.00 0.00 O ATOM 531 CB PRO A 40 -5.194 -10.203 8.630 1.00 0.00 C ATOM 532 CG PRO A 40 -4.092 -10.625 7.719 1.00 0.00 C ATOM 533 CD PRO A 40 -3.061 -9.533 7.784 1.00 0.00 C ATOM 0 HA PRO A 40 -5.093 -8.615 10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.737 -11.064 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.920 -9.577 8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.670 -11.580 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.457 -10.757 6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.051 -9.927 7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.207 -8.795 6.995 1.00 0.00 H new ATOM 541 N SER A 41 -2.961 -10.763 11.076 1.00 0.00 N ATOM 542 CA SER A 41 -2.564 -11.647 12.165 1.00 0.00 C ATOM 543 C SER A 41 -2.198 -10.845 13.410 1.00 0.00 C ATOM 544 O SER A 41 -2.268 -11.350 14.530 1.00 0.00 O ATOM 545 CB SER A 41 -1.379 -12.516 11.738 1.00 0.00 C ATOM 546 OG SER A 41 -0.259 -11.718 11.395 1.00 0.00 O ATOM 0 H SER A 41 -2.202 -10.500 10.448 1.00 0.00 H new ATOM 0 HA SER A 41 -3.410 -12.291 12.405 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.111 -13.195 12.548 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.665 -13.133 10.886 1.00 0.00 H new ATOM 0 HG SER A 41 0.485 -12.297 11.127 1.00 0.00 H new ATOM 552 N GLY A 42 -1.807 -9.591 13.205 1.00 0.00 N ATOM 553 CA GLY A 42 -1.436 -8.738 14.319 1.00 0.00 C ATOM 554 C GLY A 42 0.010 -8.289 14.248 1.00 0.00 C ATOM 555 O GLY A 42 0.585 -7.864 15.251 1.00 0.00 O ATOM 0 H GLY A 42 -1.741 -9.151 12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.085 -7.862 14.334 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.602 -9.274 15.254 1.00 0.00 H new ATOM 559 N ARG A 43 0.600 -8.384 13.061 1.00 0.00 N ATOM 560 CA ARG A 43 1.989 -7.986 12.865 1.00 0.00 C ATOM 561 C ARG A 43 2.082 -6.770 11.948 1.00 0.00 C ATOM 562 O ARG A 43 1.665 -6.817 10.791 1.00 0.00 O ATOM 563 CB ARG A 43 2.795 -9.145 12.274 1.00 0.00 C ATOM 564 CG ARG A 43 4.194 -8.750 11.830 1.00 0.00 C ATOM 565 CD ARG A 43 5.146 -9.936 11.868 1.00 0.00 C ATOM 566 NE ARG A 43 6.498 -9.565 11.460 1.00 0.00 N ATOM 567 CZ ARG A 43 7.390 -10.434 10.998 1.00 0.00 C ATOM 568 NH1 ARG A 43 7.075 -11.716 10.885 1.00 0.00 N ATOM 569 NH2 ARG A 43 8.601 -10.019 10.647 1.00 0.00 N ATOM 0 H ARG A 43 0.138 -8.733 12.221 1.00 0.00 H new ATOM 0 HA ARG A 43 2.405 -7.720 13.837 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.869 -9.940 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.254 -9.555 11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.155 -8.345 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.572 -7.958 12.476 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.172 -10.348 12.877 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.772 -10.722 11.212 1.00 0.00 H new ATOM 0 HE ARG A 43 6.772 -8.585 11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.145 -12.038 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.762 -12.381 10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.847 -9.033 10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.286 -10.686 10.292 1.00 0.00 H new ATOM 583 N VAL A 44 2.631 -5.679 12.475 1.00 0.00 N ATOM 584 CA VAL A 44 2.780 -4.450 11.705 1.00 0.00 C ATOM 585 C VAL A 44 4.249 -4.079 11.540 1.00 0.00 C ATOM 586 O VAL A 44 5.062 -4.302 12.437 1.00 0.00 O ATOM 587 CB VAL A 44 2.037 -3.277 12.372 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.404 -3.181 13.845 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.345 -1.973 11.651 1.00 0.00 C ATOM 0 H VAL A 44 2.980 -5.622 13.432 1.00 0.00 H new ATOM 0 HA VAL A 44 2.344 -4.636 10.724 1.00 0.00 H new ATOM 0 HB VAL A 44 0.965 -3.461 12.301 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.870 -2.347 14.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.128 -4.107 14.350 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.478 -3.021 13.943 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.812 -1.155 12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.417 -1.781 11.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.027 -2.048 10.611 1.00 0.00 H new ATOM 599 N THR A 45 4.584 -3.511 10.385 1.00 0.00 N ATOM 600 CA THR A 45 5.956 -3.109 10.101 1.00 0.00 C ATOM 601 C THR A 45 6.002 -1.729 9.455 1.00 0.00 C ATOM 602 O THR A 45 4.969 -1.173 9.083 1.00 0.00 O ATOM 603 CB THR A 45 6.657 -4.120 9.175 1.00 0.00 C ATOM 604 OG1 THR A 45 5.725 -4.637 8.218 1.00 0.00 O ATOM 605 CG2 THR A 45 7.255 -5.265 9.978 1.00 0.00 C ATOM 0 H THR A 45 3.924 -3.319 9.632 1.00 0.00 H new ATOM 0 HA THR A 45 6.480 -3.078 11.056 1.00 0.00 H new ATOM 0 HB THR A 45 7.463 -3.603 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.179 -5.278 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.745 -5.966 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.986 -4.871 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.464 -5.779 10.523 1.00 0.00 H new ATOM 613 N GLU A 46 7.206 -1.181 9.325 1.00 0.00 N ATOM 614 CA GLU A 46 7.385 0.135 8.724 1.00 0.00 C ATOM 615 C GLU A 46 7.598 0.021 7.217 1.00 0.00 C ATOM 616 O GLU A 46 8.461 -0.725 6.757 1.00 0.00 O ATOM 617 CB GLU A 46 8.573 0.856 9.365 1.00 0.00 C ATOM 618 CG GLU A 46 8.565 2.359 9.143 1.00 0.00 C ATOM 619 CD GLU A 46 9.905 3.001 9.445 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.653 2.446 10.277 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.205 4.057 8.851 1.00 0.00 O ATOM 0 H GLU A 46 8.071 -1.628 9.628 1.00 0.00 H new ATOM 0 HA GLU A 46 6.479 0.714 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.574 0.656 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.498 0.443 8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.291 2.568 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.799 2.811 9.773 1.00 0.00 H new ATOM 628 N ALA A 47 6.803 0.766 6.455 1.00 0.00 N ATOM 629 CA ALA A 47 6.905 0.750 5.001 1.00 0.00 C ATOM 630 C ALA A 47 7.918 1.778 4.510 1.00 0.00 C ATOM 631 O ALA A 47 8.305 2.682 5.250 1.00 0.00 O ATOM 632 CB ALA A 47 5.543 1.007 4.374 1.00 0.00 C ATOM 0 H ALA A 47 6.082 1.388 6.821 1.00 0.00 H new ATOM 0 HA ALA A 47 7.253 -0.237 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.634 0.992 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.845 0.232 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.173 1.981 4.694 1.00 0.00 H new ATOM 638 N GLU A 48 8.344 1.632 3.259 1.00 0.00 N ATOM 639 CA GLU A 48 9.314 2.549 2.672 1.00 0.00 C ATOM 640 C GLU A 48 8.632 3.523 1.715 1.00 0.00 C ATOM 641 O GLU A 48 7.829 3.121 0.872 1.00 0.00 O ATOM 642 CB GLU A 48 10.403 1.769 1.932 1.00 0.00 C ATOM 643 CG GLU A 48 11.312 2.645 1.088 1.00 0.00 C ATOM 644 CD GLU A 48 12.564 1.919 0.632 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.435 0.930 -0.118 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.671 2.341 1.027 1.00 0.00 O ATOM 0 H GLU A 48 8.033 0.889 2.634 1.00 0.00 H new ATOM 0 HA GLU A 48 9.771 3.120 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.008 1.227 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.932 1.024 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.763 2.997 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.597 3.526 1.663 1.00 0.00 H new ATOM 653 N ILE A 49 8.958 4.803 1.853 1.00 0.00 N ATOM 654 CA ILE A 49 8.377 5.834 1.001 1.00 0.00 C ATOM 655 C ILE A 49 9.360 6.271 -0.081 1.00 0.00 C ATOM 656 O ILE A 49 10.453 6.752 0.216 1.00 0.00 O ATOM 657 CB ILE A 49 7.952 7.067 1.820 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.937 6.668 2.894 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.371 8.135 0.905 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.622 7.780 3.870 1.00 0.00 C ATOM 0 H ILE A 49 9.621 5.151 2.546 1.00 0.00 H new ATOM 0 HA ILE A 49 7.495 5.397 0.533 1.00 0.00 H new ATOM 0 HB ILE A 49 8.832 7.478 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.014 6.348 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.322 5.810 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.075 9.000 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.122 8.435 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.499 7.735 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.896 7.427 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.535 8.085 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.207 8.631 3.330 1.00 0.00 H new ATOM 672 N VAL A 50 8.961 6.102 -1.338 1.00 0.00 N ATOM 673 CA VAL A 50 9.805 6.481 -2.465 1.00 0.00 C ATOM 674 C VAL A 50 9.214 7.667 -3.219 1.00 0.00 C ATOM 675 O VAL A 50 8.050 7.662 -3.620 1.00 0.00 O ATOM 676 CB VAL A 50 9.994 5.307 -3.444 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.104 5.614 -4.438 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.288 4.022 -2.684 1.00 0.00 C ATOM 0 H VAL A 50 8.059 5.705 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 50 10.775 6.762 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 50 9.068 5.169 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.223 4.773 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.848 6.509 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.038 5.780 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.419 3.203 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.200 4.146 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.457 3.796 -2.016 1.00 0.00 H new ATOM 688 N PRO A 51 10.034 8.709 -3.418 1.00 0.00 N ATOM 689 CA PRO A 51 9.615 9.922 -4.126 1.00 0.00 C ATOM 690 C PRO A 51 9.403 9.679 -5.617 1.00 0.00 C ATOM 691 O PRO A 51 10.351 9.408 -6.352 1.00 0.00 O ATOM 692 CB PRO A 51 10.784 10.885 -3.903 1.00 0.00 C ATOM 693 CG PRO A 51 11.962 10.004 -3.671 1.00 0.00 C ATOM 694 CD PRO A 51 11.434 8.784 -2.967 1.00 0.00 C ATOM 0 HA PRO A 51 8.659 10.298 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.936 11.530 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.603 11.537 -3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.440 9.735 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.714 10.509 -3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.993 7.889 -3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.502 8.884 -1.884 1.00 0.00 H new ATOM 702 N MET A 52 8.152 9.779 -6.055 1.00 0.00 N ATOM 703 CA MET A 52 7.816 9.571 -7.459 1.00 0.00 C ATOM 704 C MET A 52 8.164 10.803 -8.289 1.00 0.00 C ATOM 705 O MET A 52 9.055 10.761 -9.137 1.00 0.00 O ATOM 706 CB MET A 52 6.329 9.245 -7.607 1.00 0.00 C ATOM 707 CG MET A 52 5.870 8.090 -6.733 1.00 0.00 C ATOM 708 SD MET A 52 4.501 7.169 -7.460 1.00 0.00 S ATOM 709 CE MET A 52 5.352 6.250 -8.740 1.00 0.00 C ATOM 0 H MET A 52 7.355 10.002 -5.459 1.00 0.00 H new ATOM 0 HA MET A 52 8.403 8.729 -7.827 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.745 10.131 -7.360 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.120 9.006 -8.650 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.708 7.414 -6.562 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.567 8.475 -5.759 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.696 5.469 -9.124 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.627 6.925 -9.551 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.252 5.796 -8.325 1.00 0.00 H new ATOM 719 N GLY A 53 7.454 11.899 -8.040 1.00 0.00 N ATOM 720 CA GLY A 53 7.703 13.126 -8.773 1.00 0.00 C ATOM 721 C GLY A 53 7.082 14.337 -8.104 1.00 0.00 C ATOM 722 O GLY A 53 7.547 14.783 -7.055 1.00 0.00 O ATOM 0 H GLY A 53 6.711 11.959 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.778 13.278 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.306 13.029 -9.783 1.00 0.00 H new ATOM 726 N LYS A 54 6.028 14.871 -8.712 1.00 0.00 N ATOM 727 CA LYS A 54 5.342 16.038 -8.171 1.00 0.00 C ATOM 728 C LYS A 54 4.829 15.762 -6.761 1.00 0.00 C ATOM 729 O LYS A 54 3.694 15.325 -6.578 1.00 0.00 O ATOM 730 CB LYS A 54 4.177 16.438 -9.079 1.00 0.00 C ATOM 731 CG LYS A 54 4.563 17.432 -10.161 1.00 0.00 C ATOM 732 CD LYS A 54 5.163 16.736 -11.370 1.00 0.00 C ATOM 733 CE LYS A 54 6.670 16.577 -11.231 1.00 0.00 C ATOM 734 NZ LYS A 54 7.399 17.795 -11.681 1.00 0.00 N ATOM 0 H LYS A 54 5.630 14.514 -9.581 1.00 0.00 H new ATOM 0 HA LYS A 54 6.057 16.859 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.769 15.543 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.383 16.868 -8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.683 17.999 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.280 18.148 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.702 15.756 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.938 17.309 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.919 16.368 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.000 15.719 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.423 17.648 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.182 17.980 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.103 18.609 -11.106 1.00 0.00 H new ATOM 748 N ASN A 55 5.674 16.022 -5.768 1.00 0.00 N ATOM 749 CA ASN A 55 5.305 15.802 -4.374 1.00 0.00 C ATOM 750 C ASN A 55 4.526 14.499 -4.216 1.00 0.00 C ATOM 751 O ASN A 55 3.650 14.388 -3.359 1.00 0.00 O ATOM 752 CB ASN A 55 4.470 16.974 -3.854 1.00 0.00 C ATOM 753 CG ASN A 55 4.861 18.292 -4.495 1.00 0.00 C ATOM 754 OD1 ASN A 55 4.413 18.617 -5.595 1.00 0.00 O ATOM 755 ND2 ASN A 55 5.702 19.057 -3.808 1.00 0.00 N ATOM 0 H ASN A 55 6.618 16.385 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 55 6.222 15.730 -3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.415 16.778 -4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.588 17.050 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.002 19.954 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.048 18.747 -2.900 1.00 0.00 H new ATOM 762 N SER A 56 4.853 13.517 -5.050 1.00 0.00 N ATOM 763 CA SER A 56 4.182 12.223 -5.005 1.00 0.00 C ATOM 764 C SER A 56 4.989 11.220 -4.186 1.00 0.00 C ATOM 765 O SER A 56 6.208 11.342 -4.060 1.00 0.00 O ATOM 766 CB SER A 56 3.969 11.686 -6.422 1.00 0.00 C ATOM 767 OG SER A 56 2.793 12.225 -7.000 1.00 0.00 O ATOM 0 H SER A 56 5.577 13.593 -5.764 1.00 0.00 H new ATOM 0 HA SER A 56 3.213 12.361 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.830 11.935 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.900 10.599 -6.396 1.00 0.00 H new ATOM 0 HG SER A 56 2.838 13.204 -6.982 1.00 0.00 H new ATOM 773 N HIS A 57 4.300 10.229 -3.629 1.00 0.00 N ATOM 774 CA HIS A 57 4.952 9.204 -2.822 1.00 0.00 C ATOM 775 C HIS A 57 4.610 7.809 -3.335 1.00 0.00 C ATOM 776 O HIS A 57 3.534 7.588 -3.892 1.00 0.00 O ATOM 777 CB HIS A 57 4.535 9.338 -1.357 1.00 0.00 C ATOM 778 CG HIS A 57 4.583 10.745 -0.846 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.745 11.351 -0.418 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.603 11.667 -0.698 1.00 0.00 C ATOM 781 CE1 HIS A 57 5.477 12.584 -0.027 1.00 0.00 C ATOM 782 NE2 HIS A 57 4.184 12.801 -0.187 1.00 0.00 N ATOM 0 H HIS A 57 3.291 10.114 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 57 6.030 9.346 -2.900 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.522 8.952 -1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.187 8.715 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.558 11.535 -0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.194 13.294 0.358 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.697 13.670 0.033 1.00 0.00 H new ATOM 791 N CYS A 58 5.532 6.872 -3.145 1.00 0.00 N ATOM 792 CA CYS A 58 5.329 5.498 -3.591 1.00 0.00 C ATOM 793 C CYS A 58 5.691 4.509 -2.488 1.00 0.00 C ATOM 794 O CYS A 58 6.862 4.355 -2.137 1.00 0.00 O ATOM 795 CB CYS A 58 6.164 5.216 -4.840 1.00 0.00 C ATOM 796 SG CYS A 58 6.385 3.457 -5.199 1.00 0.00 S ATOM 0 H CYS A 58 6.427 7.038 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 58 4.274 5.373 -3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.689 5.694 -5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.144 5.677 -4.720 1.00 0.00 H new ATOM 0 HG CYS A 58 7.103 3.320 -6.274 1.00 0.00 H new ATOM 802 N VAL A 59 4.680 3.841 -1.942 1.00 0.00 N ATOM 803 CA VAL A 59 4.892 2.867 -0.878 1.00 0.00 C ATOM 804 C VAL A 59 5.210 1.490 -1.448 1.00 0.00 C ATOM 805 O VAL A 59 4.422 0.924 -2.206 1.00 0.00 O ATOM 806 CB VAL A 59 3.658 2.759 0.038 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.756 1.526 0.923 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.506 4.018 0.878 1.00 0.00 C ATOM 0 H VAL A 59 3.705 3.957 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 59 5.741 3.219 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 59 2.771 2.658 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.876 1.467 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.812 0.634 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.651 1.593 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.629 3.924 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.394 4.153 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.385 4.880 0.222 1.00 0.00 H new ATOM 818 N ARG A 60 6.370 0.956 -1.079 1.00 0.00 N ATOM 819 CA ARG A 60 6.793 -0.355 -1.555 1.00 0.00 C ATOM 820 C ARG A 60 6.943 -1.333 -0.393 1.00 0.00 C ATOM 821 O ARG A 60 7.675 -1.071 0.562 1.00 0.00 O ATOM 822 CB ARG A 60 8.116 -0.243 -2.315 1.00 0.00 C ATOM 823 CG ARG A 60 7.944 0.033 -3.799 1.00 0.00 C ATOM 824 CD ARG A 60 9.233 -0.219 -4.566 1.00 0.00 C ATOM 825 NE ARG A 60 10.415 0.091 -3.766 1.00 0.00 N ATOM 826 CZ ARG A 60 11.645 -0.292 -4.093 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.852 -0.995 -5.197 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.670 0.030 -3.314 1.00 0.00 N ATOM 0 H ARG A 60 7.033 1.411 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 60 6.025 -0.734 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.713 0.554 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.677 -1.169 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.152 -0.600 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.629 1.066 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.271 -1.262 -4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.240 0.386 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 60 10.290 0.631 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.066 -1.243 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.797 -1.288 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.514 0.572 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.614 -0.264 -3.565 1.00 0.00 H new ATOM 842 N PHE A 61 6.244 -2.459 -0.481 1.00 0.00 N ATOM 843 CA PHE A 61 6.297 -3.476 0.564 1.00 0.00 C ATOM 844 C PHE A 61 5.907 -4.844 0.012 1.00 0.00 C ATOM 845 O PHE A 61 5.364 -4.950 -1.088 1.00 0.00 O ATOM 846 CB PHE A 61 5.372 -3.097 1.722 1.00 0.00 C ATOM 847 CG PHE A 61 3.935 -2.941 1.314 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.202 -4.034 0.881 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.317 -1.702 1.364 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.879 -3.895 0.505 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.994 -1.556 0.990 1.00 0.00 C ATOM 852 CZ PHE A 61 1.275 -2.654 0.559 1.00 0.00 C ATOM 0 H PHE A 61 5.634 -2.691 -1.265 1.00 0.00 H new ATOM 0 HA PHE A 61 7.322 -3.531 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.441 -3.861 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.720 -2.163 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.670 -5.006 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.875 -0.840 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.319 -4.755 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.523 -0.585 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.242 -2.542 0.265 1.00 0.00 H new ATOM 862 N VAL A 62 6.187 -5.889 0.785 1.00 0.00 N ATOM 863 CA VAL A 62 5.865 -7.250 0.375 1.00 0.00 C ATOM 864 C VAL A 62 4.719 -7.818 1.206 1.00 0.00 C ATOM 865 O VAL A 62 4.897 -8.232 2.352 1.00 0.00 O ATOM 866 CB VAL A 62 7.087 -8.179 0.503 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.755 -9.572 -0.009 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.278 -7.597 -0.242 1.00 0.00 C ATOM 0 H VAL A 62 6.636 -5.818 1.698 1.00 0.00 H new ATOM 0 HA VAL A 62 5.563 -7.202 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 62 7.352 -8.260 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.630 -10.214 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.933 -9.987 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.464 -9.514 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.133 -8.266 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.028 -7.485 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.529 -6.623 0.177 1.00 0.00 H new ATOM 878 N PRO A 63 3.515 -7.839 0.617 1.00 0.00 N ATOM 879 CA PRO A 63 2.316 -8.354 1.284 1.00 0.00 C ATOM 880 C PRO A 63 2.360 -9.867 1.468 1.00 0.00 C ATOM 881 O PRO A 63 3.328 -10.520 1.080 1.00 0.00 O ATOM 882 CB PRO A 63 1.184 -7.965 0.331 1.00 0.00 C ATOM 883 CG PRO A 63 1.834 -7.856 -1.005 1.00 0.00 C ATOM 884 CD PRO A 63 3.230 -7.361 -0.747 1.00 0.00 C ATOM 0 HA PRO A 63 2.203 -7.948 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.394 -8.716 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.725 -7.021 0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.850 -8.821 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.288 -7.167 -1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.939 -7.764 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.290 -6.275 -0.813 1.00 0.00 H new ATOM 892 N GLN A 64 1.307 -10.418 2.063 1.00 0.00 N ATOM 893 CA GLN A 64 1.227 -11.854 2.298 1.00 0.00 C ATOM 894 C GLN A 64 0.188 -12.499 1.386 1.00 0.00 C ATOM 895 O GLN A 64 -0.544 -11.807 0.679 1.00 0.00 O ATOM 896 CB GLN A 64 0.882 -12.135 3.762 1.00 0.00 C ATOM 897 CG GLN A 64 2.005 -11.793 4.727 1.00 0.00 C ATOM 898 CD GLN A 64 3.226 -12.671 4.537 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.313 -13.764 5.098 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.178 -12.198 3.742 1.00 0.00 N ATOM 0 H GLN A 64 0.497 -9.891 2.391 1.00 0.00 H new ATOM 0 HA GLN A 64 2.201 -12.287 2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.006 -11.564 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.629 -13.190 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.289 -10.749 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.644 -11.896 5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.065 -11.287 3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.022 -12.745 3.576 1.00 0.00 H new ATOM 909 N GLU A 65 0.130 -13.827 1.408 1.00 0.00 N ATOM 910 CA GLU A 65 -0.819 -14.563 0.582 1.00 0.00 C ATOM 911 C GLU A 65 -2.183 -14.647 1.263 1.00 0.00 C ATOM 912 O GLU A 65 -2.272 -14.830 2.477 1.00 0.00 O ATOM 913 CB GLU A 65 -0.294 -15.971 0.294 1.00 0.00 C ATOM 914 CG GLU A 65 -0.398 -16.914 1.480 1.00 0.00 C ATOM 915 CD GLU A 65 0.638 -16.624 2.549 1.00 0.00 C ATOM 916 OE1 GLU A 65 1.804 -17.038 2.374 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.283 -15.983 3.560 1.00 0.00 O ATOM 0 H GLU A 65 0.729 -14.414 1.988 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.934 -14.026 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.849 -16.392 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.749 -15.904 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.395 -16.836 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.280 -17.941 1.134 1.00 0.00 H new ATOM 924 N MET A 66 -3.242 -14.511 0.472 1.00 0.00 N ATOM 925 CA MET A 66 -4.601 -14.572 0.998 1.00 0.00 C ATOM 926 C MET A 66 -4.692 -13.873 2.350 1.00 0.00 C ATOM 927 O MET A 66 -5.235 -14.422 3.308 1.00 0.00 O ATOM 928 CB MET A 66 -5.054 -16.027 1.131 1.00 0.00 C ATOM 929 CG MET A 66 -5.083 -16.778 -0.191 1.00 0.00 C ATOM 930 SD MET A 66 -3.462 -17.405 -0.670 1.00 0.00 S ATOM 931 CE MET A 66 -3.167 -16.471 -2.169 1.00 0.00 C ATOM 0 H MET A 66 -3.186 -14.358 -0.535 1.00 0.00 H new ATOM 0 HA MET A 66 -5.259 -14.057 0.298 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.386 -16.545 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.049 -16.050 1.574 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.783 -17.611 -0.116 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.458 -16.116 -0.972 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.099 -16.284 -2.277 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.525 -17.039 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.698 -15.520 -2.116 1.00 0.00 H new ATOM 941 N GLY A 67 -4.156 -12.658 2.422 1.00 0.00 N ATOM 942 CA GLY A 67 -4.187 -11.905 3.662 1.00 0.00 C ATOM 943 C GLY A 67 -4.503 -10.439 3.441 1.00 0.00 C ATOM 944 O GLY A 67 -3.856 -9.771 2.634 1.00 0.00 O ATOM 0 H GLY A 67 -3.701 -12.182 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.933 -12.338 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.223 -11.994 4.162 1.00 0.00 H new ATOM 948 N VAL A 68 -5.502 -9.936 4.160 1.00 0.00 N ATOM 949 CA VAL A 68 -5.903 -8.540 4.039 1.00 0.00 C ATOM 950 C VAL A 68 -5.151 -7.663 5.034 1.00 0.00 C ATOM 951 O VAL A 68 -5.340 -7.778 6.246 1.00 0.00 O ATOM 952 CB VAL A 68 -7.417 -8.369 4.264 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.815 -6.906 4.139 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.201 -9.228 3.283 1.00 0.00 C ATOM 0 H VAL A 68 -6.048 -10.475 4.832 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.656 -8.227 3.024 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.656 -8.700 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.888 -6.806 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.279 -6.318 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.563 -6.544 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.269 -9.095 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.959 -8.929 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.938 -10.276 3.426 1.00 0.00 H new ATOM 964 N HIS A 69 -4.297 -6.787 4.516 1.00 0.00 N ATOM 965 CA HIS A 69 -3.516 -5.889 5.359 1.00 0.00 C ATOM 966 C HIS A 69 -4.131 -4.494 5.383 1.00 0.00 C ATOM 967 O HIS A 69 -5.133 -4.233 4.716 1.00 0.00 O ATOM 968 CB HIS A 69 -2.072 -5.815 4.861 1.00 0.00 C ATOM 969 CG HIS A 69 -1.465 -7.155 4.581 1.00 0.00 C ATOM 970 ND1 HIS A 69 -2.017 -8.063 3.703 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.345 -7.739 5.068 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.265 -9.148 3.663 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.243 -8.976 4.482 1.00 0.00 N ATOM 0 H HIS A 69 -4.128 -6.680 3.516 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.522 -6.286 6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.040 -5.214 3.952 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.466 -5.299 5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.341 -7.311 5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.453 -10.026 3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.501 -9.653 4.651 1.00 0.00 H new ATOM 982 N THR A 70 -3.525 -3.598 6.156 1.00 0.00 N ATOM 983 CA THR A 70 -4.014 -2.230 6.268 1.00 0.00 C ATOM 984 C THR A 70 -2.863 -1.231 6.247 1.00 0.00 C ATOM 985 O THR A 70 -1.835 -1.439 6.892 1.00 0.00 O ATOM 986 CB THR A 70 -4.829 -2.028 7.560 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.751 -3.111 7.731 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.588 -0.711 7.521 1.00 0.00 C ATOM 0 H THR A 70 -2.694 -3.796 6.714 1.00 0.00 H new ATOM 0 HA THR A 70 -4.660 -2.055 5.408 1.00 0.00 H new ATOM 0 HB THR A 70 -4.136 -2.004 8.401 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.264 -2.977 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.156 -0.591 8.444 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.882 0.113 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.271 -0.710 6.672 1.00 0.00 H new ATOM 996 N VAL A 71 -3.041 -0.145 5.501 1.00 0.00 N ATOM 997 CA VAL A 71 -2.017 0.888 5.397 1.00 0.00 C ATOM 998 C VAL A 71 -2.418 2.139 6.172 1.00 0.00 C ATOM 999 O VAL A 71 -3.341 2.853 5.783 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.752 1.270 3.929 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.601 2.260 3.834 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.466 0.027 3.099 1.00 0.00 C ATOM 0 H VAL A 71 -3.885 0.042 4.960 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.105 0.474 5.827 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.646 1.749 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.428 2.518 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.849 3.161 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.301 1.811 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.281 0.315 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.588 -0.482 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.324 -0.644 3.141 1.00 0.00 H new ATOM 1012 N SER A 72 -1.716 2.398 7.271 1.00 0.00 N ATOM 1013 CA SER A 72 -2.000 3.561 8.102 1.00 0.00 C ATOM 1014 C SER A 72 -1.000 4.681 7.831 1.00 0.00 C ATOM 1015 O SER A 72 0.173 4.584 8.194 1.00 0.00 O ATOM 1016 CB SER A 72 -1.963 3.177 9.583 1.00 0.00 C ATOM 1017 OG SER A 72 -2.709 1.997 9.822 1.00 0.00 O ATOM 0 H SER A 72 -0.947 1.818 7.606 1.00 0.00 H new ATOM 0 HA SER A 72 -2.998 3.920 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.930 3.028 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.365 3.993 10.184 1.00 0.00 H new ATOM 0 HG SER A 72 -2.668 1.772 10.775 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.471 5.745 7.188 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.620 6.884 6.868 1.00 0.00 C ATOM 1025 C VAL A 73 -1.111 8.149 7.563 1.00 0.00 C ATOM 1026 O VAL A 73 -2.045 8.803 7.099 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.565 7.134 5.349 1.00 0.00 C ATOM 1028 CG1 VAL A 73 0.280 8.361 5.040 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.026 5.909 4.627 1.00 0.00 C ATOM 0 H VAL A 73 -2.438 5.841 6.878 1.00 0.00 H new ATOM 0 HA VAL A 73 0.381 6.642 7.225 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.578 7.321 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.307 8.522 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.155 9.234 5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.294 8.207 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.006 6.103 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.979 5.688 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.676 5.056 4.822 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.475 8.490 8.679 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.844 9.678 9.439 1.00 0.00 C ATOM 1041 C LYS A 74 0.133 10.819 9.174 1.00 0.00 C ATOM 1042 O LYS A 74 1.275 10.591 8.774 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.880 9.361 10.935 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.224 8.840 11.414 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.471 9.191 12.872 1.00 0.00 C ATOM 1046 CE LYS A 74 -1.480 8.490 13.789 1.00 0.00 C ATOM 1047 NZ LYS A 74 -1.975 8.423 15.192 1.00 0.00 N ATOM 0 H LYS A 74 0.300 7.959 9.077 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.837 9.991 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.112 8.621 11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.628 10.262 11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.019 9.261 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.262 7.758 11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.392 10.270 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.487 8.909 13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.295 7.481 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.527 9.018 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.272 7.938 15.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.128 9.386 15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.872 7.897 15.219 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.322 12.046 9.400 1.00 0.00 N ATOM 1062 CA TYR A 75 0.512 13.222 9.185 1.00 0.00 C ATOM 1063 C TYR A 75 0.418 14.181 10.368 1.00 0.00 C ATOM 1064 O TYR A 75 -0.592 14.860 10.552 1.00 0.00 O ATOM 1065 CB TYR A 75 0.097 13.939 7.899 1.00 0.00 C ATOM 1066 CG TYR A 75 0.629 15.351 7.794 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.989 15.592 7.644 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.228 16.443 7.845 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.480 16.880 7.549 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.253 17.734 7.749 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.608 17.948 7.601 1.00 0.00 C ATOM 1072 OH TYR A 75 2.091 19.232 7.506 1.00 0.00 O ATOM 0 H TYR A 75 -1.264 12.252 9.732 1.00 0.00 H new ATOM 0 HA TYR A 75 1.546 12.890 9.091 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.448 13.363 7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.991 13.965 7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.674 14.758 7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.289 16.280 7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.540 17.050 7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.428 18.571 7.790 1.00 0.00 H new ATOM 0 HH TYR A 75 1.346 19.867 7.559 1.00 0.00 H new ATOM 1082 N ARG A 76 1.479 14.231 11.167 1.00 0.00 N ATOM 1083 CA ARG A 76 1.517 15.105 12.333 1.00 0.00 C ATOM 1084 C ARG A 76 0.452 14.703 13.349 1.00 0.00 C ATOM 1085 O ARG A 76 -0.022 15.530 14.127 1.00 0.00 O ATOM 1086 CB ARG A 76 1.311 16.561 11.912 1.00 0.00 C ATOM 1087 CG ARG A 76 2.604 17.289 11.584 1.00 0.00 C ATOM 1088 CD ARG A 76 2.454 18.793 11.751 1.00 0.00 C ATOM 1089 NE ARG A 76 2.191 19.167 13.139 1.00 0.00 N ATOM 1090 CZ ARG A 76 1.743 20.362 13.506 1.00 0.00 C ATOM 1091 NH1 ARG A 76 1.509 21.295 12.593 1.00 0.00 N ATOM 1092 NH2 ARG A 76 1.527 20.626 14.788 1.00 0.00 N ATOM 0 H ARG A 76 2.324 13.676 11.028 1.00 0.00 H new ATOM 0 HA ARG A 76 2.497 15.004 12.800 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.657 16.589 11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.798 17.093 12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.401 16.927 12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.900 17.063 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.363 19.288 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.640 19.148 11.119 1.00 0.00 H new ATOM 0 HE ARG A 76 2.361 18.472 13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.673 21.095 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.165 22.212 12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.705 19.911 15.493 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.183 21.544 15.069 1.00 0.00 H new ATOM 1106 N GLY A 77 0.080 13.426 13.335 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.926 12.937 14.259 1.00 0.00 C ATOM 1108 C GLY A 77 -2.334 13.085 13.716 1.00 0.00 C ATOM 1109 O GLY A 77 -3.259 13.420 14.456 1.00 0.00 O ATOM 0 H GLY A 77 0.457 12.722 12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.733 11.887 14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.844 13.480 15.201 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.495 12.838 12.420 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.800 12.949 11.779 1.00 0.00 C ATOM 1115 C GLN A 78 -3.883 12.044 10.554 1.00 0.00 C ATOM 1116 O GLN A 78 -3.041 12.114 9.658 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.071 14.399 11.374 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.649 14.723 9.950 1.00 0.00 C ATOM 1119 CD GLN A 78 -3.793 16.196 9.619 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -3.400 17.061 10.402 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -4.359 16.488 8.454 1.00 0.00 N ATOM 0 H GLN A 78 -1.739 12.560 11.794 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.557 12.631 12.496 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.136 14.605 11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.545 15.063 12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.612 14.422 9.805 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.251 14.138 9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.670 15.738 7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.483 17.462 8.177 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.904 11.192 10.523 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.097 10.272 9.408 1.00 0.00 C ATOM 1132 C HIS A 79 -5.519 11.025 8.149 1.00 0.00 C ATOM 1133 O HIS A 79 -6.476 11.799 8.167 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.149 9.221 9.763 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.593 8.045 10.506 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.661 7.185 9.965 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.841 7.590 11.757 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.361 6.251 10.850 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.064 6.474 11.946 1.00 0.00 N ATOM 0 H HIS A 79 -5.609 11.120 11.256 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.148 9.774 9.212 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.927 9.687 10.367 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.624 8.870 8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.523 8.024 12.473 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.660 5.443 10.702 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.034 5.909 12.795 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.797 10.793 7.057 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.096 11.448 5.789 1.00 0.00 C ATOM 1150 C VAL A 80 -6.388 10.911 5.184 1.00 0.00 C ATOM 1151 O VAL A 80 -6.903 9.876 5.610 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.951 11.261 4.777 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.628 11.712 5.377 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.873 9.811 4.323 1.00 0.00 C ATOM 0 H VAL A 80 -4.001 10.156 7.025 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.213 12.511 6.002 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.156 11.881 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.831 11.572 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.692 12.766 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.412 11.121 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.058 9.697 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.692 9.169 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.813 9.527 3.850 1.00 0.00 H new ATOM 1164 N THR A 81 -6.908 11.620 4.187 1.00 0.00 N ATOM 1165 CA THR A 81 -8.140 11.215 3.522 1.00 0.00 C ATOM 1166 C THR A 81 -7.993 9.839 2.883 1.00 0.00 C ATOM 1167 O THR A 81 -7.069 9.599 2.107 1.00 0.00 O ATOM 1168 CB THR A 81 -8.554 12.230 2.440 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.773 13.515 3.032 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.817 11.773 1.725 1.00 0.00 C ATOM 0 H THR A 81 -6.495 12.478 3.822 1.00 0.00 H new ATOM 0 HA THR A 81 -8.915 11.176 4.288 1.00 0.00 H new ATOM 0 HB THR A 81 -7.747 12.300 1.710 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.034 14.155 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.090 12.505 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.638 10.808 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.629 11.678 2.446 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.913 8.937 3.213 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.868 7.596 2.662 1.00 0.00 C ATOM 1180 C GLY A 82 -8.193 6.608 3.593 1.00 0.00 C ATOM 1181 O GLY A 82 -8.637 5.467 3.726 1.00 0.00 O ATOM 0 H GLY A 82 -9.688 9.112 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.883 7.258 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.336 7.615 1.711 1.00 0.00 H new ATOM 1185 N SER A 83 -7.116 7.045 4.237 1.00 0.00 N ATOM 1186 CA SER A 83 -6.375 6.190 5.157 1.00 0.00 C ATOM 1187 C SER A 83 -7.146 5.996 6.459 1.00 0.00 C ATOM 1188 O SER A 83 -7.927 6.849 6.880 1.00 0.00 O ATOM 1189 CB SER A 83 -4.999 6.791 5.449 1.00 0.00 C ATOM 1190 OG SER A 83 -5.093 7.847 6.388 1.00 0.00 O ATOM 0 H SER A 83 -6.737 7.987 4.139 1.00 0.00 H new ATOM 0 HA SER A 83 -6.245 5.216 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.335 6.017 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.557 7.161 4.524 1.00 0.00 H new ATOM 0 HG SER A 83 -5.719 8.525 6.057 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.921 4.847 7.113 1.00 0.00 N ATOM 1197 CA PRO A 84 -5.993 3.825 6.621 1.00 0.00 C ATOM 1198 C PRO A 84 -6.512 3.124 5.370 1.00 0.00 C ATOM 1199 O PRO A 84 -7.690 2.773 5.287 1.00 0.00 O ATOM 1200 CB PRO A 84 -5.902 2.837 7.788 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.183 3.008 8.529 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.555 4.458 8.384 1.00 0.00 C ATOM 0 HA PRO A 84 -5.034 4.253 6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.784 1.814 7.432 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.044 3.054 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.960 2.363 8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.066 2.738 9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.636 4.594 8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.183 5.054 9.218 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.627 2.924 4.400 1.00 0.00 N ATOM 1211 CA PHE A 85 -5.997 2.265 3.152 1.00 0.00 C ATOM 1212 C PHE A 85 -5.833 0.753 3.266 1.00 0.00 C ATOM 1213 O PHE A 85 -4.723 0.250 3.442 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.144 2.797 1.998 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.212 4.289 1.840 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.232 4.875 1.108 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.257 5.105 2.424 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.297 6.248 0.960 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.317 6.478 2.280 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.338 7.050 1.548 1.00 0.00 C ATOM 0 H PHE A 85 -4.649 3.208 4.453 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.046 2.484 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.107 2.504 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.468 2.326 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.985 4.252 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.456 4.663 2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.096 6.693 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.566 7.103 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.387 8.123 1.435 1.00 0.00 H new ATOM 1230 N GLN A 86 -6.946 0.033 3.164 1.00 0.00 N ATOM 1231 CA GLN A 86 -6.926 -1.422 3.257 1.00 0.00 C ATOM 1232 C GLN A 86 -6.959 -2.056 1.871 1.00 0.00 C ATOM 1233 O GLN A 86 -7.667 -1.587 0.979 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.112 -1.917 4.086 1.00 0.00 C ATOM 1235 CG GLN A 86 -7.867 -3.259 4.756 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.154 -3.965 5.138 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -9.926 -4.382 4.275 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -9.392 -4.101 6.437 1.00 0.00 N ATOM 0 H GLN A 86 -7.872 0.434 3.017 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.999 -1.717 3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.345 -1.176 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.987 -1.996 3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.293 -3.897 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.260 -3.109 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.724 -3.740 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.243 -4.566 6.754 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.190 -3.125 1.696 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.130 -3.824 0.417 1.00 0.00 C ATOM 1249 C PHE A 87 -6.012 -5.330 0.625 1.00 0.00 C ATOM 1250 O PHE A 87 -5.293 -5.792 1.513 1.00 0.00 O ATOM 1251 CB PHE A 87 -4.947 -3.317 -0.410 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.610 -3.635 0.198 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -2.994 -4.851 -0.050 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -2.971 -2.719 1.016 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -1.765 -5.147 0.509 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.741 -3.009 1.577 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.137 -4.224 1.322 1.00 0.00 C ATOM 0 H PHE A 87 -5.599 -3.527 2.424 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.055 -3.622 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.997 -3.754 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.035 -2.237 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.479 -5.576 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.439 -1.767 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.296 -6.099 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.253 -2.286 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.175 -4.452 1.757 1.00 0.00 H new ATOM 1267 N THR A 88 -6.723 -6.094 -0.199 1.00 0.00 N ATOM 1268 CA THR A 88 -6.699 -7.548 -0.105 1.00 0.00 C ATOM 1269 C THR A 88 -5.722 -8.148 -1.109 1.00 0.00 C ATOM 1270 O THR A 88 -5.788 -7.860 -2.304 1.00 0.00 O ATOM 1271 CB THR A 88 -8.097 -8.149 -0.345 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.066 -7.475 0.466 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.109 -9.636 -0.028 1.00 0.00 C ATOM 0 H THR A 88 -7.323 -5.729 -0.939 1.00 0.00 H new ATOM 0 HA THR A 88 -6.374 -7.794 0.906 1.00 0.00 H new ATOM 0 HB THR A 88 -8.349 -8.016 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.952 -7.862 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.107 -10.038 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.392 -10.150 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.837 -9.788 1.017 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.814 -8.986 -0.616 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.824 -9.628 -1.471 1.00 0.00 C ATOM 1283 C VAL A 89 -4.349 -10.947 -2.026 1.00 0.00 C ATOM 1284 O VAL A 89 -4.977 -11.728 -1.311 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.511 -9.891 -0.709 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.412 -10.318 -1.670 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.095 -8.657 0.076 1.00 0.00 C ATOM 0 H VAL A 89 -4.745 -9.235 0.371 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.627 -8.943 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.678 -10.704 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.492 -10.499 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.712 -11.232 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.243 -9.529 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.166 -8.860 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.945 -7.823 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.875 -8.402 0.793 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.088 -11.191 -3.307 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.541 -12.417 -3.937 1.00 0.00 C ATOM 1299 C GLY A 90 -3.393 -13.310 -4.360 1.00 0.00 C ATOM 1300 O GLY A 90 -2.282 -13.219 -3.838 1.00 0.00 O ATOM 0 H GLY A 90 -3.571 -10.561 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.184 -12.961 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.146 -12.171 -4.809 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.656 -14.200 -5.329 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.648 -15.132 -5.843 1.00 0.00 C ATOM 1306 C PRO A 91 -1.564 -14.426 -6.651 1.00 0.00 C ATOM 1307 O PRO A 91 -1.838 -13.460 -7.364 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.458 -16.071 -6.741 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.643 -15.269 -7.156 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.958 -14.364 -5.997 1.00 0.00 C ATOM 0 HA PRO A 91 -2.117 -15.642 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.876 -16.393 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.757 -16.971 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.428 -14.691 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.490 -15.915 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.361 -13.408 -6.331 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.698 -14.807 -5.331 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.334 -14.914 -6.536 1.00 0.00 N ATOM 1319 CA LEU A 92 0.791 -14.330 -7.256 1.00 0.00 C ATOM 1320 C LEU A 92 0.449 -14.126 -8.729 1.00 0.00 C ATOM 1321 O LEU A 92 0.976 -13.226 -9.381 1.00 0.00 O ATOM 1322 CB LEU A 92 2.025 -15.225 -7.127 1.00 0.00 C ATOM 1323 CG LEU A 92 1.979 -16.546 -7.896 1.00 0.00 C ATOM 1324 CD1 LEU A 92 2.528 -16.364 -9.303 1.00 0.00 C ATOM 1325 CD2 LEU A 92 2.756 -17.623 -7.153 1.00 0.00 C ATOM 0 H LEU A 92 -0.091 -15.713 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 92 1.007 -13.357 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.895 -14.661 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.179 -15.447 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 92 0.939 -16.864 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.487 -17.314 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.929 -15.625 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.562 -16.022 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.712 -18.556 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.795 -17.313 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.318 -17.773 -6.166 1.00 0.00 H new