USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 691 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 90 SER OG : rot 38:sc= 1.03 USER MOD Set 1.2: A 92 GLN : amide:sc= 0 X(o=1,f=1) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.0834 K(o=-4.1,f=-5) USER MOD Set 2.2: A 43 ASN : amide:sc= -1.36! C(o=-4.1!,f=-2.5!) USER MOD Set 2.3: A 58 ASN : amide:sc= -0.603 K(o=-4.1,f=-14!) USER MOD Set 2.4: A 79 CYS SG : rot 140:sc= -0.182 USER MOD Set 2.5: A 82 HIS : no HE2:sc= -2.07 K(o=-4.1,f=-14!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.516 USER MOD Single : A 14 GLN : amide:sc= -0.938 X(o=-0.94,f=-0.78) USER MOD Single : A 15 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.66) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -140:sc= 0.193 USER MOD Single : A 27 HIS : no HE2:sc= 0.915 K(o=0.91,f=-2.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 32 GLN : amide:sc= 0.724 K(o=0.72,f=-0.77) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0582) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 MET CE :methyl -162:sc= -0.116 (180deg=-0.529) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -170:sc= -0.29 USER MOD Single : A 62 GLN : amide:sc= -2.29 K(o=-2.3,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= -0.273 (180deg=-0.298) USER MOD Single : A 67 MET CE :methyl 151:sc= -1.65! (180deg=-3.92!) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 1.78 (180deg=1.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -0.0261 (180deg=-0.219) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.367 USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 17.046 -6.332 -1.596 1.00 62.45 N ATOM 90 CA GLU A 7 15.952 -6.245 -0.622 1.00 63.05 C ATOM 91 C GLU A 7 15.243 -4.884 -0.624 1.00 32.30 C ATOM 92 O GLU A 7 15.879 -3.827 -0.535 1.00 10.22 O ATOM 93 CB GLU A 7 16.477 -6.570 0.785 1.00 42.45 C ATOM 94 CG GLU A 7 17.012 -7.995 0.926 1.00 32.15 C ATOM 95 CD GLU A 7 17.575 -8.285 2.310 1.00 35.44 C ATOM 96 OE1 GLU A 7 18.770 -8.000 2.540 1.00 34.20 O ATOM 97 OE2 GLU A 7 16.826 -8.799 3.174 1.00 50.23 O ATOM 0 HA GLU A 7 15.205 -6.981 -0.921 1.00 63.05 H new ATOM 0 HB2 GLU A 7 17.270 -5.867 1.039 1.00 42.45 H new ATOM 0 HB3 GLU A 7 15.674 -6.419 1.507 1.00 42.45 H new ATOM 0 HG2 GLU A 7 16.210 -8.701 0.711 1.00 32.15 H new ATOM 0 HG3 GLU A 7 17.791 -8.160 0.181 1.00 32.15 H new ATOM 104 N VAL A 8 13.914 -4.929 -0.723 1.00 1.20 N ATOM 105 CA VAL A 8 13.071 -3.728 -0.693 1.00 43.44 C ATOM 106 C VAL A 8 11.874 -3.898 0.260 1.00 15.30 C ATOM 107 O VAL A 8 11.475 -5.020 0.588 1.00 71.31 O ATOM 108 CB VAL A 8 12.542 -3.373 -2.106 1.00 5.21 C ATOM 109 CG1 VAL A 8 13.690 -2.995 -3.035 1.00 21.42 C ATOM 110 CG2 VAL A 8 11.727 -4.524 -2.690 1.00 23.13 C ATOM 0 H VAL A 8 13.389 -5.798 -0.826 1.00 1.20 H new ATOM 0 HA VAL A 8 13.702 -2.917 -0.330 1.00 43.44 H new ATOM 0 HB VAL A 8 11.884 -2.509 -2.012 1.00 5.21 H new ATOM 0 HG11 VAL A 8 13.295 -2.750 -4.021 1.00 21.42 H new ATOM 0 HG12 VAL A 8 14.216 -2.131 -2.630 1.00 21.42 H new ATOM 0 HG13 VAL A 8 14.381 -3.834 -3.119 1.00 21.42 H new ATOM 0 HG21 VAL A 8 11.368 -4.249 -3.682 1.00 23.13 H new ATOM 0 HG22 VAL A 8 12.354 -5.413 -2.765 1.00 23.13 H new ATOM 0 HG23 VAL A 8 10.877 -4.734 -2.041 1.00 23.13 H new ATOM 120 N VAL A 9 11.307 -2.775 0.701 1.00 41.41 N ATOM 121 CA VAL A 9 10.140 -2.780 1.596 1.00 51.41 C ATOM 122 C VAL A 9 9.076 -1.773 1.123 1.00 54.22 C ATOM 123 O VAL A 9 9.402 -0.738 0.537 1.00 3.21 O ATOM 124 CB VAL A 9 10.542 -2.447 3.062 1.00 43.01 C ATOM 125 CG1 VAL A 9 11.587 -3.434 3.580 1.00 20.21 C ATOM 126 CG2 VAL A 9 11.056 -1.014 3.184 1.00 12.20 C ATOM 0 H VAL A 9 11.637 -1.842 0.453 1.00 41.41 H new ATOM 0 HA VAL A 9 9.723 -3.787 1.566 1.00 51.41 H new ATOM 0 HB VAL A 9 9.647 -2.539 3.677 1.00 43.01 H new ATOM 0 HG11 VAL A 9 11.851 -3.179 4.606 1.00 20.21 H new ATOM 0 HG12 VAL A 9 11.179 -4.444 3.550 1.00 20.21 H new ATOM 0 HG13 VAL A 9 12.477 -3.383 2.953 1.00 20.21 H new ATOM 0 HG21 VAL A 9 11.329 -0.812 4.220 1.00 12.20 H new ATOM 0 HG22 VAL A 9 11.931 -0.886 2.547 1.00 12.20 H new ATOM 0 HG23 VAL A 9 10.276 -0.320 2.872 1.00 12.20 H new ATOM 136 N ALA A 10 7.806 -2.082 1.375 1.00 41.21 N ATOM 137 CA ALA A 10 6.695 -1.212 0.971 1.00 64.30 C ATOM 138 C ALA A 10 6.289 -0.254 2.100 1.00 33.23 C ATOM 139 O ALA A 10 5.829 -0.686 3.162 1.00 24.34 O ATOM 140 CB ALA A 10 5.503 -2.059 0.541 1.00 23.45 C ATOM 0 H ALA A 10 7.516 -2.932 1.859 1.00 41.21 H new ATOM 0 HA ALA A 10 7.030 -0.606 0.129 1.00 64.30 H new ATOM 0 HB1 ALA A 10 4.682 -1.407 0.243 1.00 23.45 H new ATOM 0 HB2 ALA A 10 5.790 -2.690 -0.300 1.00 23.45 H new ATOM 0 HB3 ALA A 10 5.184 -2.687 1.373 1.00 23.45 H new ATOM 146 N ILE A 11 6.464 1.044 1.863 1.00 62.44 N ATOM 147 CA ILE A 11 6.116 2.077 2.847 1.00 74.42 C ATOM 148 C ILE A 11 4.749 2.704 2.535 1.00 4.32 C ATOM 149 O ILE A 11 4.566 3.338 1.495 1.00 4.14 O ATOM 150 CB ILE A 11 7.187 3.198 2.878 1.00 31.42 C ATOM 151 CG1 ILE A 11 8.590 2.600 3.064 1.00 33.01 C ATOM 152 CG2 ILE A 11 6.882 4.213 3.979 1.00 62.22 C ATOM 153 CD1 ILE A 11 8.750 1.772 4.322 1.00 24.02 C ATOM 0 H ILE A 11 6.848 1.412 0.992 1.00 62.44 H new ATOM 0 HA ILE A 11 6.073 1.589 3.821 1.00 74.42 H new ATOM 0 HB ILE A 11 7.160 3.720 1.921 1.00 31.42 H new ATOM 0 HG12 ILE A 11 8.825 1.978 2.201 1.00 33.01 H new ATOM 0 HG13 ILE A 11 9.319 3.410 3.081 1.00 33.01 H new ATOM 0 HG21 ILE A 11 7.647 4.989 3.981 1.00 62.22 H new ATOM 0 HG22 ILE A 11 5.907 4.665 3.797 1.00 62.22 H new ATOM 0 HG23 ILE A 11 6.874 3.710 4.946 1.00 62.22 H new ATOM 0 HD11 ILE A 11 9.768 1.387 4.377 1.00 24.02 H new ATOM 0 HD12 ILE A 11 8.549 2.394 5.195 1.00 24.02 H new ATOM 0 HD13 ILE A 11 8.048 0.939 4.301 1.00 24.02 H new ATOM 165 N ILE A 12 3.793 2.517 3.441 1.00 54.13 N ATOM 166 CA ILE A 12 2.441 3.057 3.266 1.00 45.51 C ATOM 167 C ILE A 12 2.244 4.354 4.069 1.00 33.41 C ATOM 168 O ILE A 12 2.280 4.350 5.305 1.00 72.04 O ATOM 169 CB ILE A 12 1.352 2.026 3.682 1.00 33.23 C ATOM 170 CG1 ILE A 12 1.371 0.784 2.766 1.00 2.04 C ATOM 171 CG2 ILE A 12 -0.033 2.674 3.673 1.00 55.13 C ATOM 172 CD1 ILE A 12 2.561 -0.135 2.971 1.00 24.13 C ATOM 0 H ILE A 12 3.927 1.995 4.307 1.00 54.13 H new ATOM 0 HA ILE A 12 2.331 3.276 2.204 1.00 45.51 H new ATOM 0 HB ILE A 12 1.579 1.697 4.696 1.00 33.23 H new ATOM 0 HG12 ILE A 12 0.456 0.214 2.930 1.00 2.04 H new ATOM 0 HG13 ILE A 12 1.359 1.115 1.727 1.00 2.04 H new ATOM 0 HG21 ILE A 12 -0.781 1.938 3.966 1.00 55.13 H new ATOM 0 HG22 ILE A 12 -0.049 3.508 4.375 1.00 55.13 H new ATOM 0 HG23 ILE A 12 -0.257 3.039 2.671 1.00 55.13 H new ATOM 0 HD11 ILE A 12 2.491 -0.980 2.286 1.00 24.13 H new ATOM 0 HD12 ILE A 12 3.482 0.414 2.777 1.00 24.13 H new ATOM 0 HD13 ILE A 12 2.566 -0.500 3.998 1.00 24.13 H new ATOM 184 N SER A 13 2.025 5.460 3.359 1.00 55.44 N ATOM 185 CA SER A 13 1.807 6.773 3.988 1.00 20.11 C ATOM 186 C SER A 13 0.380 7.284 3.742 1.00 1.25 C ATOM 187 O SER A 13 -0.206 7.044 2.688 1.00 73.54 O ATOM 188 CB SER A 13 2.814 7.801 3.451 1.00 52.14 C ATOM 189 OG SER A 13 4.148 7.424 3.751 1.00 61.43 O ATOM 0 H SER A 13 1.993 5.478 2.340 1.00 55.44 H new ATOM 0 HA SER A 13 1.951 6.647 5.061 1.00 20.11 H new ATOM 0 HB2 SER A 13 2.696 7.899 2.372 1.00 52.14 H new ATOM 0 HB3 SER A 13 2.604 8.779 3.885 1.00 52.14 H new ATOM 0 HG SER A 13 4.766 8.096 3.395 1.00 61.43 H new ATOM 195 N GLN A 14 -0.169 7.999 4.720 1.00 75.10 N ATOM 196 CA GLN A 14 -1.507 8.588 4.607 1.00 60.13 C ATOM 197 C GLN A 14 -1.532 9.982 5.255 1.00 62.14 C ATOM 198 O GLN A 14 -0.899 10.204 6.291 1.00 3.34 O ATOM 199 CB GLN A 14 -2.548 7.674 5.273 1.00 65.14 C ATOM 200 CG GLN A 14 -3.987 8.151 5.108 1.00 70.10 C ATOM 201 CD GLN A 14 -4.988 7.274 5.844 1.00 45.43 C ATOM 202 OE1 GLN A 14 -4.684 6.697 6.882 1.00 2.32 O ATOM 203 NE2 GLN A 14 -6.187 7.158 5.309 1.00 43.30 N ATOM 0 H GLN A 14 0.294 8.188 5.609 1.00 75.10 H new ATOM 0 HA GLN A 14 -1.755 8.690 3.551 1.00 60.13 H new ATOM 0 HB2 GLN A 14 -2.458 6.672 4.854 1.00 65.14 H new ATOM 0 HB3 GLN A 14 -2.321 7.596 6.336 1.00 65.14 H new ATOM 0 HG2 GLN A 14 -4.070 9.174 5.474 1.00 70.10 H new ATOM 0 HG3 GLN A 14 -4.239 8.170 4.048 1.00 70.10 H new ATOM 0 HE21 GLN A 14 -6.409 7.651 4.444 1.00 43.30 H new ATOM 0 HE22 GLN A 14 -6.892 6.575 5.760 1.00 43.30 H new ATOM 212 N ASN A 15 -2.233 10.927 4.622 1.00 70.04 N ATOM 213 CA ASN A 15 -2.362 12.303 5.139 1.00 62.03 C ATOM 214 C ASN A 15 -0.996 13.021 5.247 1.00 35.12 C ATOM 215 O ASN A 15 -0.883 14.065 5.894 1.00 13.42 O ATOM 216 CB ASN A 15 -3.064 12.296 6.506 1.00 70.24 C ATOM 217 CG ASN A 15 -4.469 11.721 6.439 1.00 21.14 C ATOM 218 OD1 ASN A 15 -5.164 11.850 5.439 1.00 72.23 O ATOM 219 ND2 ASN A 15 -4.899 11.070 7.503 1.00 21.32 N ATOM 0 H ASN A 15 -2.726 10.767 3.743 1.00 70.04 H new ATOM 0 HA ASN A 15 -2.966 12.859 4.423 1.00 62.03 H new ATOM 0 HB2 ASN A 15 -2.471 11.715 7.212 1.00 70.24 H new ATOM 0 HB3 ASN A 15 -3.110 13.314 6.892 1.00 70.24 H new ATOM 0 HD21 ASN A 15 -5.832 10.658 7.506 1.00 21.32 H new ATOM 0 HD22 ASN A 15 -4.298 10.978 8.322 1.00 21.32 H new ATOM 226 N GLY A 16 0.032 12.462 4.602 1.00 64.52 N ATOM 227 CA GLY A 16 1.358 13.085 4.600 1.00 64.11 C ATOM 228 C GLY A 16 2.386 12.366 5.477 1.00 75.23 C ATOM 229 O GLY A 16 3.581 12.660 5.407 1.00 32.22 O ATOM 0 H GLY A 16 -0.027 11.588 4.080 1.00 64.52 H new ATOM 0 HA2 GLY A 16 1.730 13.119 3.576 1.00 64.11 H new ATOM 0 HA3 GLY A 16 1.264 14.116 4.940 1.00 64.11 H new ATOM 233 N LYS A 17 1.933 11.424 6.304 1.00 12.41 N ATOM 234 CA LYS A 17 2.837 10.700 7.216 1.00 74.14 C ATOM 235 C LYS A 17 2.724 9.178 7.046 1.00 11.22 C ATOM 236 O LYS A 17 1.701 8.668 6.597 1.00 73.42 O ATOM 237 CB LYS A 17 2.544 11.079 8.674 1.00 63.43 C ATOM 238 CG LYS A 17 1.118 10.765 9.127 1.00 34.43 C ATOM 239 CD LYS A 17 0.940 10.994 10.626 1.00 61.53 C ATOM 240 CE LYS A 17 1.252 12.432 11.024 1.00 23.20 C ATOM 241 NZ LYS A 17 1.296 12.597 12.499 1.00 74.51 N ATOM 0 H LYS A 17 0.955 11.141 6.366 1.00 12.41 H new ATOM 0 HA LYS A 17 3.855 10.993 6.960 1.00 74.14 H new ATOM 0 HB2 LYS A 17 3.244 10.552 9.323 1.00 63.43 H new ATOM 0 HB3 LYS A 17 2.729 12.145 8.805 1.00 63.43 H new ATOM 0 HG2 LYS A 17 0.415 11.391 8.577 1.00 34.43 H new ATOM 0 HG3 LYS A 17 0.879 9.729 8.886 1.00 34.43 H new ATOM 0 HD2 LYS A 17 -0.084 10.753 10.911 1.00 61.53 H new ATOM 0 HD3 LYS A 17 1.592 10.316 11.176 1.00 61.53 H new ATOM 0 HE2 LYS A 17 2.210 12.728 10.596 1.00 23.20 H new ATOM 0 HE3 LYS A 17 0.497 13.097 10.606 1.00 23.20 H new ATOM 0 HZ1 LYS A 17 1.511 13.588 12.731 1.00 74.51 H new ATOM 0 HZ2 LYS A 17 0.374 12.338 12.905 1.00 74.51 H new ATOM 0 HZ3 LYS A 17 2.034 11.981 12.895 1.00 74.51 H new ATOM 255 N VAL A 18 3.780 8.458 7.422 1.00 43.04 N ATOM 256 CA VAL A 18 3.801 6.995 7.313 1.00 32.24 C ATOM 257 C VAL A 18 2.941 6.340 8.407 1.00 72.23 C ATOM 258 O VAL A 18 3.042 6.692 9.584 1.00 75.45 O ATOM 259 CB VAL A 18 5.244 6.446 7.405 1.00 42.32 C ATOM 260 CG1 VAL A 18 5.260 4.925 7.254 1.00 40.40 C ATOM 261 CG2 VAL A 18 6.140 7.109 6.358 1.00 32.23 C ATOM 0 H VAL A 18 4.634 8.862 7.806 1.00 43.04 H new ATOM 0 HA VAL A 18 3.386 6.745 6.337 1.00 32.24 H new ATOM 0 HB VAL A 18 5.638 6.688 8.392 1.00 42.32 H new ATOM 0 HG11 VAL A 18 6.286 4.563 7.322 1.00 40.40 H new ATOM 0 HG12 VAL A 18 4.663 4.474 8.047 1.00 40.40 H new ATOM 0 HG13 VAL A 18 4.843 4.651 6.285 1.00 40.40 H new ATOM 0 HG21 VAL A 18 7.151 6.710 6.439 1.00 32.23 H new ATOM 0 HG22 VAL A 18 5.748 6.905 5.362 1.00 32.23 H new ATOM 0 HG23 VAL A 18 6.161 8.186 6.526 1.00 32.23 H new ATOM 271 N ILE A 19 2.099 5.382 8.015 1.00 42.14 N ATOM 272 CA ILE A 19 1.195 4.707 8.964 1.00 73.04 C ATOM 273 C ILE A 19 1.484 3.194 9.085 1.00 53.34 C ATOM 274 O ILE A 19 1.210 2.584 10.123 1.00 1.23 O ATOM 275 CB ILE A 19 -0.292 4.905 8.560 1.00 55.05 C ATOM 276 CG1 ILE A 19 -0.563 4.302 7.170 1.00 21.34 C ATOM 277 CG2 ILE A 19 -0.662 6.389 8.585 1.00 11.32 C ATOM 278 CD1 ILE A 19 -2.019 4.346 6.749 1.00 14.15 C ATOM 0 H ILE A 19 2.020 5.053 7.053 1.00 42.14 H new ATOM 0 HA ILE A 19 1.379 5.170 9.934 1.00 73.04 H new ATOM 0 HB ILE A 19 -0.916 4.383 9.285 1.00 55.05 H new ATOM 0 HG12 ILE A 19 0.034 4.837 6.431 1.00 21.34 H new ATOM 0 HG13 ILE A 19 -0.225 3.266 7.163 1.00 21.34 H new ATOM 0 HG21 ILE A 19 -1.707 6.508 8.299 1.00 11.32 H new ATOM 0 HG22 ILE A 19 -0.513 6.784 9.590 1.00 11.32 H new ATOM 0 HG23 ILE A 19 -0.030 6.933 7.884 1.00 11.32 H new ATOM 0 HD11 ILE A 19 -2.125 3.902 5.759 1.00 14.15 H new ATOM 0 HD12 ILE A 19 -2.622 3.786 7.464 1.00 14.15 H new ATOM 0 HD13 ILE A 19 -2.358 5.381 6.721 1.00 14.15 H new ATOM 290 N ARG A 20 2.035 2.592 8.027 1.00 63.43 N ATOM 291 CA ARG A 20 2.250 1.137 7.991 1.00 23.13 C ATOM 292 C ARG A 20 3.409 0.769 7.041 1.00 22.15 C ATOM 293 O ARG A 20 3.464 1.243 5.909 1.00 43.42 O ATOM 294 CB ARG A 20 0.948 0.451 7.547 1.00 15.20 C ATOM 295 CG ARG A 20 0.953 -1.075 7.619 1.00 21.44 C ATOM 296 CD ARG A 20 1.060 -1.608 9.051 1.00 32.41 C ATOM 297 NE ARG A 20 2.430 -1.576 9.565 1.00 35.20 N ATOM 298 CZ ARG A 20 3.244 -2.601 9.534 1.00 61.05 C ATOM 299 NH1 ARG A 20 2.876 -3.723 9.002 1.00 64.25 N ATOM 300 NH2 ARG A 20 4.425 -2.499 10.043 1.00 51.41 N ATOM 0 H ARG A 20 2.340 3.084 7.187 1.00 63.43 H new ATOM 0 HA ARG A 20 2.524 0.792 8.988 1.00 23.13 H new ATOM 0 HB2 ARG A 20 0.132 0.824 8.165 1.00 15.20 H new ATOM 0 HB3 ARG A 20 0.732 0.749 6.521 1.00 15.20 H new ATOM 0 HG2 ARG A 20 0.040 -1.457 7.162 1.00 21.44 H new ATOM 0 HG3 ARG A 20 1.788 -1.458 7.032 1.00 21.44 H new ATOM 0 HD2 ARG A 20 0.418 -1.016 9.703 1.00 32.41 H new ATOM 0 HD3 ARG A 20 0.689 -2.632 9.082 1.00 32.41 H new ATOM 0 HE ARG A 20 2.770 -0.704 9.971 1.00 35.20 H new ATOM 0 HH11 ARG A 20 1.943 -3.815 8.601 1.00 64.25 H new ATOM 0 HH12 ARG A 20 3.519 -4.514 8.984 1.00 64.25 H new ATOM 0 HH21 ARG A 20 4.723 -1.621 10.468 1.00 51.41 H new ATOM 0 HH22 ARG A 20 5.061 -3.296 10.020 1.00 51.41 H new ATOM 314 N GLU A 21 4.330 -0.075 7.509 1.00 51.41 N ATOM 315 CA GLU A 21 5.527 -0.445 6.728 1.00 44.14 C ATOM 316 C GLU A 21 5.722 -1.973 6.683 1.00 44.34 C ATOM 317 O GLU A 21 5.983 -2.602 7.709 1.00 51.41 O ATOM 318 CB GLU A 21 6.770 0.228 7.341 1.00 73.42 C ATOM 319 CG GLU A 21 6.678 1.751 7.392 1.00 34.43 C ATOM 320 CD GLU A 21 7.833 2.403 8.144 1.00 24.22 C ATOM 321 OE1 GLU A 21 8.956 2.443 7.602 1.00 31.13 O ATOM 322 OE2 GLU A 21 7.621 2.877 9.284 1.00 71.21 O ATOM 0 H GLU A 21 4.276 -0.519 8.426 1.00 51.41 H new ATOM 0 HA GLU A 21 5.387 -0.098 5.704 1.00 44.14 H new ATOM 0 HB2 GLU A 21 6.918 -0.153 8.352 1.00 73.42 H new ATOM 0 HB3 GLU A 21 7.649 -0.055 6.762 1.00 73.42 H new ATOM 0 HG2 GLU A 21 6.651 2.140 6.374 1.00 34.43 H new ATOM 0 HG3 GLU A 21 5.739 2.035 7.867 1.00 34.43 H new ATOM 329 N ILE A 22 5.597 -2.563 5.490 1.00 4.01 N ATOM 330 CA ILE A 22 5.718 -4.025 5.323 1.00 54.33 C ATOM 331 C ILE A 22 6.953 -4.395 4.479 1.00 40.12 C ATOM 332 O ILE A 22 7.159 -3.845 3.397 1.00 45.12 O ATOM 333 CB ILE A 22 4.462 -4.648 4.635 1.00 0.51 C ATOM 334 CG1 ILE A 22 3.172 -4.351 5.424 1.00 72.01 C ATOM 335 CG2 ILE A 22 4.635 -6.159 4.456 1.00 42.30 C ATOM 336 CD1 ILE A 22 2.665 -2.938 5.257 1.00 14.15 C ATOM 0 H ILE A 22 5.412 -2.057 4.624 1.00 4.01 H new ATOM 0 HA ILE A 22 5.816 -4.429 6.331 1.00 54.33 H new ATOM 0 HB ILE A 22 4.368 -4.184 3.653 1.00 0.51 H new ATOM 0 HG12 ILE A 22 2.395 -5.046 5.106 1.00 72.01 H new ATOM 0 HG13 ILE A 22 3.353 -4.539 6.482 1.00 72.01 H new ATOM 0 HG21 ILE A 22 3.748 -6.572 3.975 1.00 42.30 H new ATOM 0 HG22 ILE A 22 5.509 -6.354 3.835 1.00 42.30 H new ATOM 0 HG23 ILE A 22 4.771 -6.628 5.431 1.00 42.30 H new ATOM 0 HD11 ILE A 22 1.755 -2.806 5.842 1.00 14.15 H new ATOM 0 HD12 ILE A 22 3.424 -2.236 5.603 1.00 14.15 H new ATOM 0 HD13 ILE A 22 2.450 -2.751 4.205 1.00 14.15 H new ATOM 348 N PRO A 23 7.794 -5.336 4.956 1.00 73.22 N ATOM 349 CA PRO A 23 8.926 -5.851 4.165 1.00 74.14 C ATOM 350 C PRO A 23 8.467 -6.736 2.990 1.00 60.35 C ATOM 351 O PRO A 23 7.608 -7.603 3.153 1.00 40.32 O ATOM 352 CB PRO A 23 9.728 -6.668 5.189 1.00 64.32 C ATOM 353 CG PRO A 23 8.723 -7.088 6.210 1.00 41.12 C ATOM 354 CD PRO A 23 7.726 -5.960 6.296 1.00 35.40 C ATOM 0 HA PRO A 23 9.501 -5.051 3.699 1.00 74.14 H new ATOM 0 HB2 PRO A 23 10.203 -7.531 4.722 1.00 64.32 H new ATOM 0 HB3 PRO A 23 10.522 -6.071 5.637 1.00 64.32 H new ATOM 0 HG2 PRO A 23 8.236 -8.019 5.919 1.00 41.12 H new ATOM 0 HG3 PRO A 23 9.197 -7.265 7.175 1.00 41.12 H new ATOM 0 HD2 PRO A 23 6.724 -6.326 6.518 1.00 35.40 H new ATOM 0 HD3 PRO A 23 7.988 -5.252 7.082 1.00 35.40 H new ATOM 362 N LEU A 24 9.039 -6.510 1.805 1.00 23.03 N ATOM 363 CA LEU A 24 8.672 -7.283 0.609 1.00 33.33 C ATOM 364 C LEU A 24 9.660 -8.429 0.350 1.00 1.32 C ATOM 365 O LEU A 24 9.301 -9.602 0.429 1.00 65.32 O ATOM 366 CB LEU A 24 8.605 -6.364 -0.619 1.00 71.52 C ATOM 367 CG LEU A 24 7.553 -5.244 -0.543 1.00 44.12 C ATOM 368 CD1 LEU A 24 7.596 -4.379 -1.798 1.00 75.23 C ATOM 369 CD2 LEU A 24 6.154 -5.828 -0.345 1.00 22.33 C ATOM 0 H LEU A 24 9.755 -5.802 1.645 1.00 23.03 H new ATOM 0 HA LEU A 24 7.690 -7.720 0.789 1.00 33.33 H new ATOM 0 HB2 LEU A 24 9.585 -5.910 -0.767 1.00 71.52 H new ATOM 0 HB3 LEU A 24 8.400 -6.974 -1.499 1.00 71.52 H new ATOM 0 HG LEU A 24 7.788 -4.616 0.316 1.00 44.12 H new ATOM 0 HD11 LEU A 24 6.844 -3.593 -1.724 1.00 75.23 H new ATOM 0 HD12 LEU A 24 8.584 -3.928 -1.896 1.00 75.23 H new ATOM 0 HD13 LEU A 24 7.391 -4.996 -2.673 1.00 75.23 H new ATOM 0 HD21 LEU A 24 5.426 -5.019 -0.294 1.00 22.33 H new ATOM 0 HD22 LEU A 24 5.911 -6.482 -1.182 1.00 22.33 H new ATOM 0 HD23 LEU A 24 6.126 -6.400 0.582 1.00 22.33 H new ATOM 381 N THR A 25 10.906 -8.088 0.037 1.00 3.13 N ATOM 382 CA THR A 25 11.925 -9.103 -0.260 1.00 25.22 C ATOM 383 C THR A 25 12.205 -9.993 0.962 1.00 1.15 C ATOM 384 O THR A 25 12.500 -9.496 2.052 1.00 21.53 O ATOM 385 CB THR A 25 13.252 -8.460 -0.723 1.00 4.01 C ATOM 386 OG1 THR A 25 12.990 -7.434 -1.697 1.00 54.42 O ATOM 387 CG2 THR A 25 14.187 -9.503 -1.328 1.00 60.02 C ATOM 0 H THR A 25 11.238 -7.125 -0.019 1.00 3.13 H new ATOM 0 HA THR A 25 11.523 -9.715 -1.068 1.00 25.22 H new ATOM 0 HB THR A 25 13.735 -8.024 0.151 1.00 4.01 H new ATOM 0 HG1 THR A 25 13.668 -7.472 -2.403 1.00 54.42 H new ATOM 0 HG21 THR A 25 15.112 -9.022 -1.645 1.00 60.02 H new ATOM 0 HG22 THR A 25 14.411 -10.266 -0.583 1.00 60.02 H new ATOM 0 HG23 THR A 25 13.706 -9.967 -2.189 1.00 60.02 H new ATOM 395 N GLY A 26 12.112 -11.307 0.771 1.00 40.31 N ATOM 396 CA GLY A 26 12.307 -12.243 1.876 1.00 22.30 C ATOM 397 C GLY A 26 11.077 -12.371 2.773 1.00 50.51 C ATOM 398 O GLY A 26 11.153 -12.938 3.868 1.00 12.01 O ATOM 0 H GLY A 26 11.905 -11.744 -0.127 1.00 40.31 H new ATOM 0 HA2 GLY A 26 12.560 -13.224 1.474 1.00 22.30 H new ATOM 0 HA3 GLY A 26 13.156 -11.916 2.477 1.00 22.30 H new ATOM 402 N HIS A 27 9.943 -11.840 2.311 1.00 21.00 N ATOM 403 CA HIS A 27 8.679 -11.918 3.053 1.00 44.14 C ATOM 404 C HIS A 27 7.879 -13.172 2.661 1.00 45.20 C ATOM 405 O HIS A 27 7.271 -13.229 1.595 1.00 55.35 O ATOM 406 CB HIS A 27 7.849 -10.655 2.797 1.00 3.01 C ATOM 407 CG HIS A 27 6.480 -10.671 3.411 1.00 24.03 C ATOM 408 ND1 HIS A 27 5.342 -10.971 2.695 1.00 23.32 N ATOM 409 CD2 HIS A 27 6.066 -10.409 4.673 1.00 44.20 C ATOM 410 CE1 HIS A 27 4.291 -10.892 3.485 1.00 52.03 C ATOM 411 NE2 HIS A 27 4.701 -10.555 4.689 1.00 32.12 N ATOM 0 H HIS A 27 9.873 -11.348 1.420 1.00 21.00 H new ATOM 0 HA HIS A 27 8.909 -11.989 4.116 1.00 44.14 H new ATOM 0 HB2 HIS A 27 8.395 -9.793 3.181 1.00 3.01 H new ATOM 0 HB3 HIS A 27 7.748 -10.514 1.721 1.00 3.01 H new ATOM 0 HD1 HIS A 27 5.317 -11.217 1.705 1.00 23.32 H new ATOM 0 HD2 HIS A 27 6.692 -10.136 5.510 1.00 44.20 H new ATOM 0 HE1 HIS A 27 3.267 -11.073 3.194 1.00 52.03 H new ATOM 420 N LYS A 28 7.890 -14.170 3.533 1.00 10.13 N ATOM 421 CA LYS A 28 7.171 -15.425 3.289 1.00 60.42 C ATOM 422 C LYS A 28 5.715 -15.347 3.780 1.00 4.53 C ATOM 423 O LYS A 28 5.454 -15.047 4.949 1.00 74.51 O ATOM 424 CB LYS A 28 7.914 -16.592 3.967 1.00 3.33 C ATOM 425 CG LYS A 28 8.248 -16.342 5.438 1.00 35.23 C ATOM 426 CD LYS A 28 9.121 -17.450 6.026 1.00 44.11 C ATOM 427 CE LYS A 28 9.518 -17.154 7.471 1.00 43.25 C ATOM 428 NZ LYS A 28 10.414 -18.204 8.032 1.00 11.34 N ATOM 0 H LYS A 28 8.390 -14.140 4.422 1.00 10.13 H new ATOM 0 HA LYS A 28 7.141 -15.598 2.213 1.00 60.42 H new ATOM 0 HB2 LYS A 28 7.303 -17.492 3.891 1.00 3.33 H new ATOM 0 HB3 LYS A 28 8.838 -16.787 3.423 1.00 3.33 H new ATOM 0 HG2 LYS A 28 8.762 -15.386 5.535 1.00 35.23 H new ATOM 0 HG3 LYS A 28 7.324 -16.266 6.011 1.00 35.23 H new ATOM 0 HD2 LYS A 28 8.583 -18.397 5.984 1.00 44.11 H new ATOM 0 HD3 LYS A 28 10.019 -17.566 5.419 1.00 44.11 H new ATOM 0 HE2 LYS A 28 10.019 -16.187 7.518 1.00 43.25 H new ATOM 0 HE3 LYS A 28 8.621 -17.078 8.085 1.00 43.25 H new ATOM 0 HZ1 LYS A 28 10.659 -17.963 9.014 1.00 11.34 H new ATOM 0 HZ2 LYS A 28 9.927 -19.123 8.012 1.00 11.34 H new ATOM 0 HZ3 LYS A 28 11.283 -18.260 7.463 1.00 11.34 H new ATOM 442 N GLY A 29 4.769 -15.606 2.878 1.00 33.32 N ATOM 443 CA GLY A 29 3.350 -15.597 3.241 1.00 21.20 C ATOM 444 C GLY A 29 2.586 -14.394 2.688 1.00 54.02 C ATOM 445 O GLY A 29 3.103 -13.635 1.866 1.00 20.05 O ATOM 0 H GLY A 29 4.955 -15.823 1.899 1.00 33.32 H new ATOM 0 HA2 GLY A 29 2.884 -16.512 2.876 1.00 21.20 H new ATOM 0 HA3 GLY A 29 3.261 -15.606 4.327 1.00 21.20 H new ATOM 449 N ASN A 30 1.350 -14.216 3.155 1.00 52.03 N ATOM 450 CA ASN A 30 0.475 -13.135 2.675 1.00 64.51 C ATOM 451 C ASN A 30 0.104 -12.177 3.824 1.00 25.25 C ATOM 452 O ASN A 30 0.038 -12.583 4.983 1.00 2.33 O ATOM 453 CB ASN A 30 -0.793 -13.733 2.046 1.00 23.54 C ATOM 454 CG ASN A 30 -1.676 -12.689 1.383 1.00 5.42 C ATOM 455 OD1 ASN A 30 -2.545 -12.100 2.018 1.00 13.23 O ATOM 456 ND2 ASN A 30 -1.469 -12.461 0.102 1.00 1.24 N ATOM 0 H ASN A 30 0.926 -14.808 3.869 1.00 52.03 H new ATOM 0 HA ASN A 30 1.012 -12.562 1.919 1.00 64.51 H new ATOM 0 HB2 ASN A 30 -0.507 -14.481 1.307 1.00 23.54 H new ATOM 0 HB3 ASN A 30 -1.366 -14.249 2.817 1.00 23.54 H new ATOM 0 HD21 ASN A 30 -2.040 -11.776 -0.393 1.00 1.24 H new ATOM 0 HD22 ASN A 30 -0.737 -12.969 -0.395 1.00 1.24 H new ATOM 463 N GLU A 31 -0.131 -10.908 3.496 1.00 25.50 N ATOM 464 CA GLU A 31 -0.437 -9.883 4.505 1.00 72.52 C ATOM 465 C GLU A 31 -1.454 -8.861 3.960 1.00 45.34 C ATOM 466 O GLU A 31 -1.155 -8.115 3.029 1.00 65.20 O ATOM 467 CB GLU A 31 0.860 -9.171 4.928 1.00 62.11 C ATOM 468 CG GLU A 31 0.692 -8.188 6.086 1.00 71.33 C ATOM 469 CD GLU A 31 0.266 -8.869 7.377 1.00 1.51 C ATOM 470 OE1 GLU A 31 1.082 -9.614 7.961 1.00 1.01 O ATOM 471 OE2 GLU A 31 -0.885 -8.663 7.818 1.00 32.34 O ATOM 0 H GLU A 31 -0.116 -10.559 2.538 1.00 25.50 H new ATOM 0 HA GLU A 31 -0.881 -10.370 5.373 1.00 72.52 H new ATOM 0 HB2 GLU A 31 1.597 -9.923 5.210 1.00 62.11 H new ATOM 0 HB3 GLU A 31 1.263 -8.635 4.068 1.00 62.11 H new ATOM 0 HG2 GLU A 31 1.633 -7.663 6.251 1.00 71.33 H new ATOM 0 HG3 GLU A 31 -0.050 -7.437 5.815 1.00 71.33 H new ATOM 478 N GLN A 32 -2.650 -8.825 4.547 1.00 64.34 N ATOM 479 CA GLN A 32 -3.724 -7.926 4.083 1.00 22.11 C ATOM 480 C GLN A 32 -4.141 -6.917 5.172 1.00 74.44 C ATOM 481 O GLN A 32 -4.283 -7.274 6.345 1.00 52.11 O ATOM 482 CB GLN A 32 -4.950 -8.742 3.649 1.00 22.01 C ATOM 483 CG GLN A 32 -4.696 -9.673 2.465 1.00 41.41 C ATOM 484 CD GLN A 32 -5.890 -10.560 2.147 1.00 21.52 C ATOM 485 OE1 GLN A 32 -6.667 -10.918 3.027 1.00 5.33 O ATOM 486 NE2 GLN A 32 -6.047 -10.930 0.895 1.00 53.10 N ATOM 0 H GLN A 32 -2.907 -9.405 5.346 1.00 64.34 H new ATOM 0 HA GLN A 32 -3.332 -7.366 3.234 1.00 22.11 H new ATOM 0 HB2 GLN A 32 -5.296 -9.335 4.496 1.00 22.01 H new ATOM 0 HB3 GLN A 32 -5.756 -8.056 3.390 1.00 22.01 H new ATOM 0 HG2 GLN A 32 -4.447 -9.077 1.587 1.00 41.41 H new ATOM 0 HG3 GLN A 32 -3.831 -10.300 2.680 1.00 41.41 H new ATOM 0 HE21 GLN A 32 -5.386 -10.617 0.184 1.00 53.10 H new ATOM 0 HE22 GLN A 32 -6.830 -11.530 0.635 1.00 53.10 H new ATOM 495 N PHE A 33 -4.352 -5.660 4.773 1.00 52.15 N ATOM 496 CA PHE A 33 -4.790 -4.613 5.710 1.00 45.34 C ATOM 497 C PHE A 33 -5.602 -3.512 5.000 1.00 43.32 C ATOM 498 O PHE A 33 -5.248 -3.059 3.908 1.00 73.00 O ATOM 499 CB PHE A 33 -3.583 -4.005 6.452 1.00 33.53 C ATOM 500 CG PHE A 33 -2.530 -3.407 5.553 1.00 13.04 C ATOM 501 CD1 PHE A 33 -1.615 -4.219 4.899 1.00 64.25 C ATOM 502 CD2 PHE A 33 -2.449 -2.033 5.372 1.00 22.55 C ATOM 503 CE1 PHE A 33 -0.644 -3.675 4.086 1.00 4.40 C ATOM 504 CE2 PHE A 33 -1.479 -1.486 4.557 1.00 52.11 C ATOM 505 CZ PHE A 33 -0.576 -2.306 3.913 1.00 5.13 C ATOM 0 H PHE A 33 -4.228 -5.340 3.812 1.00 52.15 H new ATOM 0 HA PHE A 33 -5.447 -5.084 6.441 1.00 45.34 H new ATOM 0 HB2 PHE A 33 -3.943 -3.233 7.132 1.00 33.53 H new ATOM 0 HB3 PHE A 33 -3.122 -4.780 7.065 1.00 33.53 H new ATOM 0 HD1 PHE A 33 -1.664 -5.290 5.028 1.00 64.25 H new ATOM 0 HD2 PHE A 33 -3.152 -1.385 5.874 1.00 22.55 H new ATOM 0 HE1 PHE A 33 0.063 -4.319 3.584 1.00 4.40 H new ATOM 0 HE2 PHE A 33 -1.427 -0.416 4.423 1.00 52.11 H new ATOM 0 HZ PHE A 33 0.183 -1.879 3.275 1.00 5.13 H new ATOM 515 N THR A 34 -6.700 -3.094 5.629 1.00 21.10 N ATOM 516 CA THR A 34 -7.576 -2.054 5.070 1.00 32.22 C ATOM 517 C THR A 34 -7.240 -0.668 5.642 1.00 70.53 C ATOM 518 O THR A 34 -7.381 -0.427 6.841 1.00 24.55 O ATOM 519 CB THR A 34 -9.070 -2.355 5.362 1.00 53.42 C ATOM 520 OG1 THR A 34 -9.425 -3.647 4.847 1.00 4.52 O ATOM 521 CG2 THR A 34 -9.983 -1.297 4.746 1.00 61.54 C ATOM 0 H THR A 34 -7.009 -3.459 6.530 1.00 21.10 H new ATOM 0 HA THR A 34 -7.406 -2.055 3.993 1.00 32.22 H new ATOM 0 HB THR A 34 -9.204 -2.340 6.444 1.00 53.42 H new ATOM 0 HG1 THR A 34 -10.369 -3.827 5.038 1.00 4.52 H new ATOM 0 HG21 THR A 34 -11.022 -1.538 4.970 1.00 61.54 H new ATOM 0 HG22 THR A 34 -9.740 -0.319 5.162 1.00 61.54 H new ATOM 0 HG23 THR A 34 -9.840 -1.277 3.666 1.00 61.54 H new ATOM 529 N ILE A 35 -6.795 0.238 4.780 1.00 11.23 N ATOM 530 CA ILE A 35 -6.509 1.620 5.175 1.00 63.23 C ATOM 531 C ILE A 35 -7.800 2.449 5.233 1.00 33.21 C ATOM 532 O ILE A 35 -8.348 2.826 4.198 1.00 50.23 O ATOM 533 CB ILE A 35 -5.526 2.293 4.186 1.00 42.12 C ATOM 534 CG1 ILE A 35 -4.248 1.453 4.042 1.00 73.43 C ATOM 535 CG2 ILE A 35 -5.193 3.715 4.640 1.00 54.30 C ATOM 536 CD1 ILE A 35 -3.295 1.969 2.987 1.00 42.33 C ATOM 0 H ILE A 35 -6.622 0.042 3.794 1.00 11.23 H new ATOM 0 HA ILE A 35 -6.053 1.584 6.164 1.00 63.23 H new ATOM 0 HB ILE A 35 -6.007 2.353 3.210 1.00 42.12 H new ATOM 0 HG12 ILE A 35 -3.732 1.425 5.002 1.00 73.43 H new ATOM 0 HG13 ILE A 35 -4.524 0.427 3.799 1.00 73.43 H new ATOM 0 HG21 ILE A 35 -4.501 4.170 3.932 1.00 54.30 H new ATOM 0 HG22 ILE A 35 -6.108 4.306 4.685 1.00 54.30 H new ATOM 0 HG23 ILE A 35 -4.733 3.683 5.628 1.00 54.30 H new ATOM 0 HD11 ILE A 35 -2.417 1.325 2.944 1.00 42.33 H new ATOM 0 HD12 ILE A 35 -3.792 1.971 2.017 1.00 42.33 H new ATOM 0 HD13 ILE A 35 -2.988 2.984 3.239 1.00 42.33 H new ATOM 548 N LYS A 36 -8.290 2.716 6.439 1.00 14.23 N ATOM 549 CA LYS A 36 -9.524 3.491 6.617 1.00 75.15 C ATOM 550 C LYS A 36 -9.223 4.986 6.794 1.00 43.15 C ATOM 551 O LYS A 36 -8.655 5.405 7.806 1.00 5.35 O ATOM 552 CB LYS A 36 -10.308 2.966 7.828 1.00 60.01 C ATOM 553 CG LYS A 36 -10.714 1.499 7.711 1.00 0.45 C ATOM 554 CD LYS A 36 -11.407 1.000 8.979 1.00 13.14 C ATOM 555 CE LYS A 36 -11.779 -0.477 8.883 1.00 34.02 C ATOM 556 NZ LYS A 36 -12.332 -0.999 10.162 1.00 1.15 N ATOM 0 H LYS A 36 -7.856 2.410 7.310 1.00 14.23 H new ATOM 0 HA LYS A 36 -10.128 3.372 5.718 1.00 75.15 H new ATOM 0 HB2 LYS A 36 -9.702 3.095 8.725 1.00 60.01 H new ATOM 0 HB3 LYS A 36 -11.205 3.572 7.959 1.00 60.01 H new ATOM 0 HG2 LYS A 36 -11.381 1.373 6.858 1.00 0.45 H new ATOM 0 HG3 LYS A 36 -9.830 0.891 7.516 1.00 0.45 H new ATOM 0 HD2 LYS A 36 -10.751 1.154 9.835 1.00 13.14 H new ATOM 0 HD3 LYS A 36 -12.306 1.590 9.157 1.00 13.14 H new ATOM 0 HE2 LYS A 36 -12.512 -0.615 8.088 1.00 34.02 H new ATOM 0 HE3 LYS A 36 -10.897 -1.055 8.607 1.00 34.02 H new ATOM 0 HZ1 LYS A 36 -12.571 -2.005 10.052 1.00 1.15 H new ATOM 0 HZ2 LYS A 36 -11.624 -0.892 10.916 1.00 1.15 H new ATOM 0 HZ3 LYS A 36 -13.188 -0.465 10.413 1.00 1.15 H new ATOM 570 N GLY A 37 -9.600 5.787 5.800 1.00 51.12 N ATOM 571 CA GLY A 37 -9.429 7.232 5.887 1.00 33.34 C ATOM 572 C GLY A 37 -10.495 7.902 6.750 1.00 74.43 C ATOM 573 O GLY A 37 -11.070 7.279 7.643 1.00 3.34 O ATOM 0 H GLY A 37 -10.023 5.461 4.931 1.00 51.12 H new ATOM 0 HA2 GLY A 37 -8.444 7.453 6.298 1.00 33.34 H new ATOM 0 HA3 GLY A 37 -9.459 7.658 4.884 1.00 33.34 H new ATOM 577 N LYS A 38 -10.766 9.176 6.488 1.00 34.30 N ATOM 578 CA LYS A 38 -11.769 9.920 7.256 1.00 31.01 C ATOM 579 C LYS A 38 -13.147 9.864 6.568 1.00 35.32 C ATOM 580 O LYS A 38 -13.463 10.696 5.717 1.00 30.24 O ATOM 581 CB LYS A 38 -11.315 11.377 7.445 1.00 74.31 C ATOM 582 CG LYS A 38 -12.206 12.194 8.383 1.00 41.21 C ATOM 583 CD LYS A 38 -11.740 13.646 8.497 1.00 1.44 C ATOM 584 CE LYS A 38 -10.336 13.763 9.085 1.00 52.35 C ATOM 585 NZ LYS A 38 -10.263 13.256 10.481 1.00 72.03 N ATOM 0 H LYS A 38 -10.310 9.717 5.754 1.00 34.30 H new ATOM 0 HA LYS A 38 -11.868 9.453 8.236 1.00 31.01 H new ATOM 0 HB2 LYS A 38 -10.297 11.381 7.834 1.00 74.31 H new ATOM 0 HB3 LYS A 38 -11.286 11.866 6.471 1.00 74.31 H new ATOM 0 HG2 LYS A 38 -13.233 12.171 8.019 1.00 41.21 H new ATOM 0 HG3 LYS A 38 -12.208 11.735 9.372 1.00 41.21 H new ATOM 0 HD2 LYS A 38 -11.757 14.109 7.510 1.00 1.44 H new ATOM 0 HD3 LYS A 38 -12.440 14.201 9.122 1.00 1.44 H new ATOM 0 HE2 LYS A 38 -9.636 13.206 8.462 1.00 52.35 H new ATOM 0 HE3 LYS A 38 -10.021 14.806 9.063 1.00 52.35 H new ATOM 0 HZ1 LYS A 38 -9.324 13.464 10.877 1.00 72.03 H new ATOM 0 HZ2 LYS A 38 -10.993 13.721 11.058 1.00 72.03 H new ATOM 0 HZ3 LYS A 38 -10.421 12.228 10.486 1.00 72.03 H new ATOM 599 N GLY A 39 -13.950 8.857 6.924 1.00 15.40 N ATOM 600 CA GLY A 39 -15.306 8.741 6.386 1.00 5.33 C ATOM 601 C GLY A 39 -15.421 7.796 5.185 1.00 2.21 C ATOM 602 O GLY A 39 -15.530 8.250 4.040 1.00 15.23 O ATOM 0 H GLY A 39 -13.687 8.118 7.576 1.00 15.40 H new ATOM 0 HA2 GLY A 39 -15.971 8.391 7.176 1.00 5.33 H new ATOM 0 HA3 GLY A 39 -15.655 9.731 6.091 1.00 5.33 H new ATOM 606 N ALA A 40 -15.390 6.485 5.450 1.00 44.55 N ATOM 607 CA ALA A 40 -15.626 5.440 4.428 1.00 30.34 C ATOM 608 C ALA A 40 -14.463 5.260 3.425 1.00 14.40 C ATOM 609 O ALA A 40 -14.128 4.131 3.066 1.00 71.10 O ATOM 610 CB ALA A 40 -16.935 5.699 3.682 1.00 31.34 C ATOM 0 H ALA A 40 -15.201 6.110 6.380 1.00 44.55 H new ATOM 0 HA ALA A 40 -15.694 4.502 4.980 1.00 30.34 H new ATOM 0 HB1 ALA A 40 -17.089 4.920 2.936 1.00 31.34 H new ATOM 0 HB2 ALA A 40 -17.764 5.693 4.389 1.00 31.34 H new ATOM 0 HB3 ALA A 40 -16.886 6.669 3.188 1.00 31.34 H new ATOM 616 N GLN A 41 -13.863 6.360 2.963 1.00 3.55 N ATOM 617 CA GLN A 41 -12.746 6.307 1.998 1.00 74.45 C ATOM 618 C GLN A 41 -11.641 5.343 2.463 1.00 12.30 C ATOM 619 O GLN A 41 -10.913 5.640 3.406 1.00 61.42 O ATOM 620 CB GLN A 41 -12.155 7.714 1.797 1.00 73.41 C ATOM 621 CG GLN A 41 -13.158 8.741 1.288 1.00 12.00 C ATOM 622 CD GLN A 41 -13.685 8.408 -0.097 1.00 73.52 C ATOM 623 OE1 GLN A 41 -14.680 7.709 -0.244 1.00 23.24 O ATOM 624 NE2 GLN A 41 -13.029 8.912 -1.123 1.00 14.12 N ATOM 0 H GLN A 41 -14.129 7.305 3.239 1.00 3.55 H new ATOM 0 HA GLN A 41 -13.142 5.937 1.053 1.00 74.45 H new ATOM 0 HB2 GLN A 41 -11.743 8.062 2.744 1.00 73.41 H new ATOM 0 HB3 GLN A 41 -11.326 7.651 1.092 1.00 73.41 H new ATOM 0 HG2 GLN A 41 -13.994 8.803 1.985 1.00 12.00 H new ATOM 0 HG3 GLN A 41 -12.687 9.724 1.267 1.00 12.00 H new ATOM 0 HE21 GLN A 41 -12.204 9.490 -0.966 1.00 14.12 H new ATOM 0 HE22 GLN A 41 -13.347 8.724 -2.074 1.00 14.12 H new ATOM 633 N TYR A 42 -11.518 4.193 1.797 1.00 40.32 N ATOM 634 CA TYR A 42 -10.580 3.148 2.235 1.00 45.31 C ATOM 635 C TYR A 42 -9.697 2.615 1.092 1.00 70.41 C ATOM 636 O TYR A 42 -10.025 2.763 -0.085 1.00 42.35 O ATOM 637 CB TYR A 42 -11.357 1.975 2.861 1.00 24.24 C ATOM 638 CG TYR A 42 -12.167 1.163 1.857 1.00 15.25 C ATOM 639 CD1 TYR A 42 -13.415 1.597 1.413 1.00 53.34 C ATOM 640 CD2 TYR A 42 -11.680 -0.039 1.347 1.00 44.04 C ATOM 641 CE1 TYR A 42 -14.147 0.860 0.499 1.00 71.44 C ATOM 642 CE2 TYR A 42 -12.407 -0.779 0.434 1.00 52.11 C ATOM 643 CZ TYR A 42 -13.639 -0.324 0.012 1.00 53.01 C ATOM 644 OH TYR A 42 -14.364 -1.057 -0.902 1.00 74.21 O ATOM 0 H TYR A 42 -12.050 3.959 0.959 1.00 40.32 H new ATOM 0 HA TYR A 42 -9.920 3.609 2.970 1.00 45.31 H new ATOM 0 HB2 TYR A 42 -10.652 1.313 3.364 1.00 24.24 H new ATOM 0 HB3 TYR A 42 -12.030 2.365 3.625 1.00 24.24 H new ATOM 0 HD1 TYR A 42 -13.818 2.526 1.789 1.00 53.34 H new ATOM 0 HD2 TYR A 42 -10.715 -0.399 1.672 1.00 44.04 H new ATOM 0 HE1 TYR A 42 -15.113 1.212 0.169 1.00 71.44 H new ATOM 0 HE2 TYR A 42 -12.012 -1.709 0.053 1.00 52.11 H new ATOM 0 HH TYR A 42 -14.915 -0.453 -1.442 1.00 74.21 H new ATOM 654 N ASN A 43 -8.573 1.995 1.464 1.00 53.02 N ATOM 655 CA ASN A 43 -7.717 1.256 0.521 1.00 21.00 C ATOM 656 C ASN A 43 -7.322 -0.110 1.107 1.00 64.53 C ATOM 657 O ASN A 43 -6.540 -0.187 2.053 1.00 21.51 O ATOM 658 CB ASN A 43 -6.440 2.048 0.192 1.00 24.51 C ATOM 659 CG ASN A 43 -6.682 3.188 -0.777 1.00 3.53 C ATOM 660 OD1 ASN A 43 -6.952 4.312 -0.380 1.00 0.43 O ATOM 661 ND2 ASN A 43 -6.604 2.900 -2.063 1.00 74.12 N ATOM 0 H ASN A 43 -8.228 1.989 2.424 1.00 53.02 H new ATOM 0 HA ASN A 43 -8.290 1.110 -0.395 1.00 21.00 H new ATOM 0 HB2 ASN A 43 -6.019 2.446 1.115 1.00 24.51 H new ATOM 0 HB3 ASN A 43 -5.698 1.371 -0.231 1.00 24.51 H new ATOM 0 HD21 ASN A 43 -6.771 3.626 -2.759 1.00 74.12 H new ATOM 0 HD22 ASN A 43 -6.376 1.951 -2.360 1.00 74.12 H new ATOM 668 N LEU A 44 -7.860 -1.184 0.544 1.00 44.20 N ATOM 669 CA LEU A 44 -7.502 -2.544 0.966 1.00 52.23 C ATOM 670 C LEU A 44 -6.205 -2.999 0.285 1.00 55.22 C ATOM 671 O LEU A 44 -6.197 -3.333 -0.901 1.00 1.33 O ATOM 672 CB LEU A 44 -8.643 -3.525 0.648 1.00 61.35 C ATOM 673 CG LEU A 44 -8.360 -5.005 0.977 1.00 23.15 C ATOM 674 CD1 LEU A 44 -8.046 -5.189 2.459 1.00 55.31 C ATOM 675 CD2 LEU A 44 -9.540 -5.884 0.564 1.00 64.12 C ATOM 0 H LEU A 44 -8.548 -1.146 -0.208 1.00 44.20 H new ATOM 0 HA LEU A 44 -7.341 -2.535 2.044 1.00 52.23 H new ATOM 0 HB2 LEU A 44 -9.531 -3.212 1.198 1.00 61.35 H new ATOM 0 HB3 LEU A 44 -8.881 -3.446 -0.413 1.00 61.35 H new ATOM 0 HG LEU A 44 -7.484 -5.313 0.407 1.00 23.15 H new ATOM 0 HD11 LEU A 44 -7.851 -6.242 2.662 1.00 55.31 H new ATOM 0 HD12 LEU A 44 -7.167 -4.600 2.720 1.00 55.31 H new ATOM 0 HD13 LEU A 44 -8.896 -4.856 3.055 1.00 55.31 H new ATOM 0 HD21 LEU A 44 -9.321 -6.924 0.804 1.00 64.12 H new ATOM 0 HD22 LEU A 44 -10.434 -5.568 1.101 1.00 64.12 H new ATOM 0 HD23 LEU A 44 -9.708 -5.787 -0.509 1.00 64.12 H new ATOM 687 N MET A 45 -5.110 -2.994 1.038 1.00 34.25 N ATOM 688 CA MET A 45 -3.796 -3.367 0.504 1.00 53.24 C ATOM 689 C MET A 45 -3.514 -4.867 0.697 1.00 43.44 C ATOM 690 O MET A 45 -3.786 -5.431 1.761 1.00 74.13 O ATOM 691 CB MET A 45 -2.699 -2.538 1.183 1.00 51.03 C ATOM 692 CG MET A 45 -2.883 -1.034 1.035 1.00 62.53 C ATOM 693 SD MET A 45 -2.827 -0.484 -0.684 1.00 55.54 S ATOM 694 CE MET A 45 -1.158 -0.941 -1.141 1.00 51.31 C ATOM 0 H MET A 45 -5.102 -2.735 2.025 1.00 34.25 H new ATOM 0 HA MET A 45 -3.799 -3.160 -0.566 1.00 53.24 H new ATOM 0 HB2 MET A 45 -2.672 -2.788 2.244 1.00 51.03 H new ATOM 0 HB3 MET A 45 -1.733 -2.819 0.764 1.00 51.03 H new ATOM 0 HG2 MET A 45 -3.839 -0.745 1.472 1.00 62.53 H new ATOM 0 HG3 MET A 45 -2.106 -0.521 1.601 1.00 62.53 H new ATOM 0 HE1 MET A 45 -0.864 -0.396 -2.038 1.00 51.31 H new ATOM 0 HE2 MET A 45 -0.477 -0.693 -0.327 1.00 51.31 H new ATOM 0 HE3 MET A 45 -1.115 -2.012 -1.337 1.00 51.31 H new ATOM 704 N GLU A 46 -2.961 -5.501 -0.334 1.00 10.41 N ATOM 705 CA GLU A 46 -2.625 -6.926 -0.290 1.00 54.34 C ATOM 706 C GLU A 46 -1.134 -7.155 -0.594 1.00 14.20 C ATOM 707 O GLU A 46 -0.655 -6.855 -1.690 1.00 20.24 O ATOM 708 CB GLU A 46 -3.498 -7.705 -1.288 1.00 73.31 C ATOM 709 CG GLU A 46 -3.202 -9.204 -1.336 1.00 11.35 C ATOM 710 CD GLU A 46 -4.157 -9.963 -2.244 1.00 43.53 C ATOM 711 OE1 GLU A 46 -3.932 -9.984 -3.472 1.00 14.32 O ATOM 712 OE2 GLU A 46 -5.145 -10.526 -1.732 1.00 14.20 O ATOM 0 H GLU A 46 -2.734 -5.047 -1.219 1.00 10.41 H new ATOM 0 HA GLU A 46 -2.823 -7.291 0.718 1.00 54.34 H new ATOM 0 HB2 GLU A 46 -4.547 -7.560 -1.028 1.00 73.31 H new ATOM 0 HB3 GLU A 46 -3.356 -7.285 -2.284 1.00 73.31 H new ATOM 0 HG2 GLU A 46 -2.180 -9.357 -1.682 1.00 11.35 H new ATOM 0 HG3 GLU A 46 -3.262 -9.614 -0.328 1.00 11.35 H new ATOM 719 N VAL A 47 -0.407 -7.667 0.395 1.00 54.54 N ATOM 720 CA VAL A 47 1.012 -8.008 0.236 1.00 14.32 C ATOM 721 C VAL A 47 1.193 -9.529 0.143 1.00 34.13 C ATOM 722 O VAL A 47 1.057 -10.242 1.141 1.00 64.41 O ATOM 723 CB VAL A 47 1.855 -7.481 1.428 1.00 73.50 C ATOM 724 CG1 VAL A 47 3.343 -7.755 1.210 1.00 32.31 C ATOM 725 CG2 VAL A 47 1.600 -5.992 1.661 1.00 52.14 C ATOM 0 H VAL A 47 -0.778 -7.858 1.326 1.00 54.54 H new ATOM 0 HA VAL A 47 1.357 -7.535 -0.684 1.00 14.32 H new ATOM 0 HB VAL A 47 1.544 -8.019 2.324 1.00 73.50 H new ATOM 0 HG11 VAL A 47 3.911 -7.376 2.060 1.00 32.31 H new ATOM 0 HG12 VAL A 47 3.505 -8.829 1.115 1.00 32.31 H new ATOM 0 HG13 VAL A 47 3.675 -7.256 0.300 1.00 32.31 H new ATOM 0 HG21 VAL A 47 2.202 -5.647 2.501 1.00 52.14 H new ATOM 0 HG22 VAL A 47 1.871 -5.432 0.766 1.00 52.14 H new ATOM 0 HG23 VAL A 47 0.544 -5.834 1.882 1.00 52.14 H new ATOM 735 N ASP A 48 1.503 -10.026 -1.045 1.00 1.40 N ATOM 736 CA ASP A 48 1.687 -11.463 -1.253 1.00 74.21 C ATOM 737 C ASP A 48 3.154 -11.781 -1.569 1.00 11.35 C ATOM 738 O ASP A 48 3.695 -11.321 -2.574 1.00 21.12 O ATOM 739 CB ASP A 48 0.775 -11.946 -2.383 1.00 62.33 C ATOM 740 CG ASP A 48 0.811 -13.453 -2.541 1.00 12.12 C ATOM 741 OD1 ASP A 48 0.395 -14.160 -1.600 1.00 1.41 O ATOM 742 OD2 ASP A 48 1.250 -13.942 -3.603 1.00 64.12 O ATOM 0 H ASP A 48 1.633 -9.459 -1.883 1.00 1.40 H new ATOM 0 HA ASP A 48 1.419 -11.988 -0.336 1.00 74.21 H new ATOM 0 HB2 ASP A 48 -0.248 -11.627 -2.184 1.00 62.33 H new ATOM 0 HB3 ASP A 48 1.078 -11.477 -3.319 1.00 62.33 H new ATOM 747 N GLY A 49 3.795 -12.560 -0.704 1.00 14.13 N ATOM 748 CA GLY A 49 5.206 -12.872 -0.884 1.00 62.34 C ATOM 749 C GLY A 49 6.090 -11.626 -0.906 1.00 53.40 C ATOM 750 O GLY A 49 6.231 -10.940 0.107 1.00 54.41 O ATOM 0 H GLY A 49 3.365 -12.982 0.119 1.00 14.13 H new ATOM 0 HA2 GLY A 49 5.533 -13.530 -0.079 1.00 62.34 H new ATOM 0 HA3 GLY A 49 5.336 -13.421 -1.817 1.00 62.34 H new ATOM 754 N GLU A 50 6.657 -11.320 -2.070 1.00 54.00 N ATOM 755 CA GLU A 50 7.572 -10.179 -2.219 1.00 3.40 C ATOM 756 C GLU A 50 6.959 -9.075 -3.102 1.00 74.02 C ATOM 757 O GLU A 50 7.663 -8.188 -3.585 1.00 33.33 O ATOM 758 CB GLU A 50 8.901 -10.663 -2.826 1.00 43.22 C ATOM 759 CG GLU A 50 9.497 -11.879 -2.115 1.00 53.30 C ATOM 760 CD GLU A 50 10.829 -12.318 -2.702 1.00 60.11 C ATOM 761 OE1 GLU A 50 10.874 -12.677 -3.902 1.00 13.54 O ATOM 762 OE2 GLU A 50 11.842 -12.306 -1.972 1.00 44.45 O ATOM 0 H GLU A 50 6.501 -11.845 -2.930 1.00 54.00 H new ATOM 0 HA GLU A 50 7.751 -9.753 -1.232 1.00 3.40 H new ATOM 0 HB2 GLU A 50 8.742 -10.909 -3.876 1.00 43.22 H new ATOM 0 HB3 GLU A 50 9.622 -9.846 -2.796 1.00 43.22 H new ATOM 0 HG2 GLU A 50 9.631 -11.645 -1.059 1.00 53.30 H new ATOM 0 HG3 GLU A 50 8.791 -12.708 -2.171 1.00 53.30 H new ATOM 769 N ARG A 51 5.639 -9.127 -3.295 1.00 15.53 N ATOM 770 CA ARG A 51 4.933 -8.180 -4.173 1.00 11.35 C ATOM 771 C ARG A 51 3.656 -7.629 -3.506 1.00 44.11 C ATOM 772 O ARG A 51 2.930 -8.355 -2.824 1.00 72.30 O ATOM 773 CB ARG A 51 4.602 -8.874 -5.504 1.00 1.02 C ATOM 774 CG ARG A 51 3.858 -10.200 -5.338 1.00 42.51 C ATOM 775 CD ARG A 51 3.757 -10.979 -6.644 1.00 0.05 C ATOM 776 NE ARG A 51 3.014 -12.230 -6.474 1.00 32.13 N ATOM 777 CZ ARG A 51 3.568 -13.401 -6.294 1.00 3.15 C ATOM 778 NH1 ARG A 51 4.853 -13.527 -6.226 1.00 10.31 N ATOM 779 NH2 ARG A 51 2.827 -14.452 -6.172 1.00 14.51 N ATOM 0 H ARG A 51 5.031 -9.817 -2.854 1.00 15.53 H new ATOM 0 HA ARG A 51 5.585 -7.327 -4.362 1.00 11.35 H new ATOM 0 HB2 ARG A 51 3.997 -8.202 -6.113 1.00 1.02 H new ATOM 0 HB3 ARG A 51 5.528 -9.053 -6.050 1.00 1.02 H new ATOM 0 HG2 ARG A 51 4.370 -10.810 -4.594 1.00 42.51 H new ATOM 0 HG3 ARG A 51 2.856 -10.005 -4.956 1.00 42.51 H new ATOM 0 HD2 ARG A 51 3.265 -10.364 -7.397 1.00 0.05 H new ATOM 0 HD3 ARG A 51 4.758 -11.198 -7.015 1.00 0.05 H new ATOM 0 HE ARG A 51 1.995 -12.185 -6.498 1.00 32.13 H new ATOM 0 HH11 ARG A 51 5.451 -12.706 -6.313 1.00 10.31 H new ATOM 0 HH12 ARG A 51 5.268 -14.448 -6.085 1.00 10.31 H new ATOM 0 HH21 ARG A 51 1.811 -14.368 -6.216 1.00 14.51 H new ATOM 0 HH22 ARG A 51 3.257 -15.366 -6.032 1.00 14.51 H new ATOM 793 N ILE A 52 3.389 -6.337 -3.712 1.00 44.13 N ATOM 794 CA ILE A 52 2.241 -5.658 -3.080 1.00 34.42 C ATOM 795 C ILE A 52 1.321 -4.992 -4.124 1.00 22.44 C ATOM 796 O ILE A 52 1.781 -4.530 -5.167 1.00 73.23 O ATOM 797 CB ILE A 52 2.727 -4.589 -2.061 1.00 3.42 C ATOM 798 CG1 ILE A 52 1.531 -3.889 -1.386 1.00 72.32 C ATOM 799 CG2 ILE A 52 3.639 -3.566 -2.742 1.00 65.43 C ATOM 800 CD1 ILE A 52 1.930 -2.848 -0.355 1.00 73.31 C ATOM 0 H ILE A 52 3.951 -5.733 -4.312 1.00 44.13 H new ATOM 0 HA ILE A 52 1.667 -6.424 -2.558 1.00 34.42 H new ATOM 0 HB ILE A 52 3.302 -5.097 -1.287 1.00 3.42 H new ATOM 0 HG12 ILE A 52 0.922 -3.411 -2.153 1.00 72.32 H new ATOM 0 HG13 ILE A 52 0.906 -4.642 -0.905 1.00 72.32 H new ATOM 0 HG21 ILE A 52 3.967 -2.828 -2.011 1.00 65.43 H new ATOM 0 HG22 ILE A 52 4.508 -4.074 -3.160 1.00 65.43 H new ATOM 0 HG23 ILE A 52 3.092 -3.066 -3.542 1.00 65.43 H new ATOM 0 HD11 ILE A 52 1.034 -2.400 0.075 1.00 73.31 H new ATOM 0 HD12 ILE A 52 2.513 -3.322 0.434 1.00 73.31 H new ATOM 0 HD13 ILE A 52 2.529 -2.073 -0.833 1.00 73.31 H new ATOM 812 N ARG A 53 0.020 -4.951 -3.829 1.00 42.11 N ATOM 813 CA ARG A 53 -0.968 -4.299 -4.707 1.00 31.13 C ATOM 814 C ARG A 53 -2.162 -3.756 -3.904 1.00 34.01 C ATOM 815 O ARG A 53 -2.321 -4.063 -2.721 1.00 63.45 O ATOM 816 CB ARG A 53 -1.505 -5.290 -5.751 1.00 53.24 C ATOM 817 CG ARG A 53 -2.354 -6.408 -5.141 1.00 42.30 C ATOM 818 CD ARG A 53 -3.230 -7.099 -6.179 1.00 21.20 C ATOM 819 NE ARG A 53 -4.033 -8.161 -5.576 1.00 70.11 N ATOM 820 CZ ARG A 53 -5.260 -8.450 -5.917 1.00 32.14 C ATOM 821 NH1 ARG A 53 -5.876 -7.773 -6.832 1.00 35.43 N ATOM 822 NH2 ARG A 53 -5.874 -9.414 -5.314 1.00 33.24 N ATOM 0 H ARG A 53 -0.380 -5.362 -2.986 1.00 42.11 H new ATOM 0 HA ARG A 53 -0.456 -3.473 -5.200 1.00 31.13 H new ATOM 0 HB2 ARG A 53 -2.103 -4.748 -6.484 1.00 53.24 H new ATOM 0 HB3 ARG A 53 -0.666 -5.732 -6.288 1.00 53.24 H new ATOM 0 HG2 ARG A 53 -1.700 -7.144 -4.673 1.00 42.30 H new ATOM 0 HG3 ARG A 53 -2.984 -5.995 -4.354 1.00 42.30 H new ATOM 0 HD2 ARG A 53 -3.886 -6.367 -6.649 1.00 21.20 H new ATOM 0 HD3 ARG A 53 -2.603 -7.517 -6.966 1.00 21.20 H new ATOM 0 HE ARG A 53 -3.604 -8.716 -4.836 1.00 70.11 H new ATOM 0 HH11 ARG A 53 -5.403 -7.000 -7.300 1.00 35.43 H new ATOM 0 HH12 ARG A 53 -6.834 -8.013 -7.086 1.00 35.43 H new ATOM 0 HH21 ARG A 53 -5.400 -9.940 -4.580 1.00 33.24 H new ATOM 0 HH22 ARG A 53 -6.833 -9.649 -5.572 1.00 33.24 H new ATOM 836 N ILE A 54 -3.001 -2.950 -4.554 1.00 54.33 N ATOM 837 CA ILE A 54 -4.300 -2.578 -3.981 1.00 74.20 C ATOM 838 C ILE A 54 -5.378 -3.577 -4.422 1.00 15.43 C ATOM 839 O ILE A 54 -5.657 -3.729 -5.614 1.00 43.54 O ATOM 840 CB ILE A 54 -4.740 -1.142 -4.374 1.00 23.21 C ATOM 841 CG1 ILE A 54 -3.744 -0.112 -3.819 1.00 73.01 C ATOM 842 CG2 ILE A 54 -6.156 -0.857 -3.864 1.00 55.02 C ATOM 843 CD1 ILE A 54 -4.180 1.328 -4.005 1.00 2.42 C ATOM 0 H ILE A 54 -2.810 -2.544 -5.470 1.00 54.33 H new ATOM 0 HA ILE A 54 -4.183 -2.602 -2.898 1.00 74.20 H new ATOM 0 HB ILE A 54 -4.748 -1.063 -5.461 1.00 23.21 H new ATOM 0 HG12 ILE A 54 -3.595 -0.302 -2.756 1.00 73.01 H new ATOM 0 HG13 ILE A 54 -2.780 -0.255 -4.306 1.00 73.01 H new ATOM 0 HG21 ILE A 54 -6.449 0.154 -4.148 1.00 55.02 H new ATOM 0 HG22 ILE A 54 -6.851 -1.573 -4.302 1.00 55.02 H new ATOM 0 HG23 ILE A 54 -6.177 -0.949 -2.778 1.00 55.02 H new ATOM 0 HD11 ILE A 54 -3.425 1.994 -3.588 1.00 2.42 H new ATOM 0 HD12 ILE A 54 -4.301 1.537 -5.068 1.00 2.42 H new ATOM 0 HD13 ILE A 54 -5.129 1.490 -3.493 1.00 2.42 H new ATOM 855 N LYS A 55 -5.965 -4.268 -3.453 1.00 23.52 N ATOM 856 CA LYS A 55 -6.960 -5.304 -3.730 1.00 44.15 C ATOM 857 C LYS A 55 -8.354 -4.703 -3.986 1.00 74.35 C ATOM 858 O LYS A 55 -9.072 -5.129 -4.895 1.00 33.55 O ATOM 859 CB LYS A 55 -7.005 -6.289 -2.550 1.00 74.42 C ATOM 860 CG LYS A 55 -7.808 -7.557 -2.817 1.00 14.32 C ATOM 861 CD LYS A 55 -7.718 -8.524 -1.639 1.00 15.15 C ATOM 862 CE LYS A 55 -8.377 -9.863 -1.950 1.00 70.25 C ATOM 863 NZ LYS A 55 -9.852 -9.745 -2.124 1.00 13.01 N ATOM 0 H LYS A 55 -5.770 -4.131 -2.461 1.00 23.52 H new ATOM 0 HA LYS A 55 -6.667 -5.830 -4.638 1.00 44.15 H new ATOM 0 HB2 LYS A 55 -5.985 -6.568 -2.287 1.00 74.42 H new ATOM 0 HB3 LYS A 55 -7.429 -5.781 -1.684 1.00 74.42 H new ATOM 0 HG2 LYS A 55 -8.851 -7.299 -3.000 1.00 14.32 H new ATOM 0 HG3 LYS A 55 -7.437 -8.043 -3.719 1.00 14.32 H new ATOM 0 HD2 LYS A 55 -6.671 -8.686 -1.382 1.00 15.15 H new ATOM 0 HD3 LYS A 55 -8.196 -8.078 -0.766 1.00 15.15 H new ATOM 0 HE2 LYS A 55 -7.939 -10.278 -2.858 1.00 70.25 H new ATOM 0 HE3 LYS A 55 -8.164 -10.565 -1.144 1.00 70.25 H new ATOM 0 HZ1 LYS A 55 -10.253 -10.681 -2.334 1.00 13.01 H new ATOM 0 HZ2 LYS A 55 -10.276 -9.375 -1.250 1.00 13.01 H new ATOM 0 HZ3 LYS A 55 -10.058 -9.096 -2.910 1.00 13.01 H new ATOM 877 N GLU A 56 -8.728 -3.701 -3.191 1.00 24.34 N ATOM 878 CA GLU A 56 -10.057 -3.080 -3.297 1.00 51.22 C ATOM 879 C GLU A 56 -10.082 -1.675 -2.669 1.00 52.40 C ATOM 880 O GLU A 56 -9.520 -1.465 -1.598 1.00 13.24 O ATOM 881 CB GLU A 56 -11.102 -3.968 -2.596 1.00 50.13 C ATOM 882 CG GLU A 56 -12.531 -3.443 -2.696 1.00 33.03 C ATOM 883 CD GLU A 56 -13.092 -3.521 -4.108 1.00 21.44 C ATOM 884 OE1 GLU A 56 -12.734 -2.671 -4.949 1.00 43.21 O ATOM 885 OE2 GLU A 56 -13.893 -4.438 -4.382 1.00 21.53 O ATOM 0 H GLU A 56 -8.134 -3.299 -2.466 1.00 24.34 H new ATOM 0 HA GLU A 56 -10.294 -2.983 -4.357 1.00 51.22 H new ATOM 0 HB2 GLU A 56 -11.062 -4.968 -3.028 1.00 50.13 H new ATOM 0 HB3 GLU A 56 -10.834 -4.065 -1.544 1.00 50.13 H new ATOM 0 HG2 GLU A 56 -13.171 -4.015 -2.024 1.00 33.03 H new ATOM 0 HG3 GLU A 56 -12.557 -2.408 -2.357 1.00 33.03 H new ATOM 892 N ASP A 57 -10.748 -0.725 -3.323 1.00 43.12 N ATOM 893 CA ASP A 57 -10.902 0.629 -2.770 1.00 21.31 C ATOM 894 C ASP A 57 -12.021 1.399 -3.489 1.00 35.31 C ATOM 895 O ASP A 57 -12.492 0.989 -4.550 1.00 21.30 O ATOM 896 CB ASP A 57 -9.579 1.408 -2.864 1.00 53.14 C ATOM 897 CG ASP A 57 -9.290 1.903 -4.269 1.00 52.41 C ATOM 898 OD1 ASP A 57 -8.746 1.131 -5.077 1.00 42.12 O ATOM 899 OD2 ASP A 57 -9.623 3.070 -4.565 1.00 43.12 O ATOM 0 H ASP A 57 -11.189 -0.862 -4.232 1.00 43.12 H new ATOM 0 HA ASP A 57 -11.177 0.528 -1.720 1.00 21.31 H new ATOM 0 HB2 ASP A 57 -9.614 2.259 -2.183 1.00 53.14 H new ATOM 0 HB3 ASP A 57 -8.761 0.768 -2.533 1.00 53.14 H new ATOM 904 N ASN A 58 -12.441 2.522 -2.911 1.00 62.12 N ATOM 905 CA ASN A 58 -13.519 3.330 -3.497 1.00 14.32 C ATOM 906 C ASN A 58 -12.999 4.680 -4.034 1.00 64.12 C ATOM 907 O ASN A 58 -13.352 5.745 -3.522 1.00 62.54 O ATOM 908 CB ASN A 58 -14.641 3.545 -2.466 1.00 61.43 C ATOM 909 CG ASN A 58 -14.168 4.254 -1.204 1.00 73.22 C ATOM 910 OD1 ASN A 58 -13.011 4.148 -0.804 1.00 63.13 O ATOM 911 ND2 ASN A 58 -15.061 4.982 -0.568 1.00 73.33 N ATOM 0 H ASN A 58 -12.057 2.895 -2.043 1.00 62.12 H new ATOM 0 HA ASN A 58 -13.922 2.781 -4.348 1.00 14.32 H new ATOM 0 HB2 ASN A 58 -15.440 4.128 -2.924 1.00 61.43 H new ATOM 0 HB3 ASN A 58 -15.066 2.579 -2.195 1.00 61.43 H new ATOM 0 HD21 ASN A 58 -14.801 5.479 0.284 1.00 73.33 H new ATOM 0 HD22 ASN A 58 -16.013 5.049 -0.927 1.00 73.33 H new ATOM 918 N SER A 59 -12.126 4.634 -5.041 1.00 14.45 N ATOM 919 CA SER A 59 -11.640 5.861 -5.705 1.00 22.22 C ATOM 920 C SER A 59 -12.228 5.992 -7.121 1.00 63.32 C ATOM 921 O SER A 59 -12.309 5.005 -7.854 1.00 35.34 O ATOM 922 CB SER A 59 -10.104 5.873 -5.787 1.00 20.33 C ATOM 923 OG SER A 59 -9.631 7.100 -6.318 1.00 40.25 O ATOM 0 H SER A 59 -11.738 3.769 -5.419 1.00 14.45 H new ATOM 0 HA SER A 59 -11.970 6.708 -5.103 1.00 22.22 H new ATOM 0 HB2 SER A 59 -9.682 5.716 -4.794 1.00 20.33 H new ATOM 0 HB3 SER A 59 -9.764 5.047 -6.412 1.00 20.33 H new ATOM 0 HG SER A 59 -8.672 7.026 -6.508 1.00 40.25 H new ATOM 929 N PRO A 60 -12.650 7.209 -7.531 1.00 43.15 N ATOM 930 CA PRO A 60 -13.248 7.442 -8.864 1.00 10.33 C ATOM 931 C PRO A 60 -12.270 7.182 -10.026 1.00 44.34 C ATOM 932 O PRO A 60 -12.689 6.857 -11.140 1.00 4.43 O ATOM 933 CB PRO A 60 -13.647 8.928 -8.820 1.00 74.34 C ATOM 934 CG PRO A 60 -12.775 9.527 -7.768 1.00 2.23 C ATOM 935 CD PRO A 60 -12.588 8.449 -6.734 1.00 12.35 C ATOM 0 HA PRO A 60 -14.078 6.761 -9.051 1.00 10.33 H new ATOM 0 HB2 PRO A 60 -13.489 9.409 -9.785 1.00 74.34 H new ATOM 0 HB3 PRO A 60 -14.702 9.047 -8.574 1.00 74.34 H new ATOM 0 HG2 PRO A 60 -11.818 9.841 -8.184 1.00 2.23 H new ATOM 0 HG3 PRO A 60 -13.238 10.412 -7.332 1.00 2.23 H new ATOM 0 HD2 PRO A 60 -11.634 8.548 -6.216 1.00 12.35 H new ATOM 0 HD3 PRO A 60 -13.369 8.479 -5.974 1.00 12.35 H new ATOM 943 N ASP A 61 -10.975 7.340 -9.766 1.00 75.32 N ATOM 944 CA ASP A 61 -9.942 7.107 -10.786 1.00 75.24 C ATOM 945 C ASP A 61 -9.499 5.630 -10.831 1.00 63.14 C ATOM 946 O ASP A 61 -9.336 5.056 -11.909 1.00 41.12 O ATOM 947 CB ASP A 61 -8.736 8.019 -10.525 1.00 72.24 C ATOM 948 CG ASP A 61 -8.297 7.993 -9.069 1.00 43.13 C ATOM 949 OD1 ASP A 61 -7.708 6.981 -8.630 1.00 43.11 O ATOM 950 OD2 ASP A 61 -8.567 8.977 -8.353 1.00 63.41 O ATOM 0 H ASP A 61 -10.610 7.629 -8.858 1.00 75.32 H new ATOM 0 HA ASP A 61 -10.374 7.345 -11.758 1.00 75.24 H new ATOM 0 HB2 ASP A 61 -7.905 7.709 -11.158 1.00 72.24 H new ATOM 0 HB3 ASP A 61 -8.988 9.041 -10.808 1.00 72.24 H new ATOM 955 N GLN A 62 -9.299 5.033 -9.654 1.00 43.10 N ATOM 956 CA GLN A 62 -8.839 3.638 -9.544 1.00 25.21 C ATOM 957 C GLN A 62 -7.412 3.465 -10.095 1.00 73.15 C ATOM 958 O GLN A 62 -7.033 2.373 -10.525 1.00 21.25 O ATOM 959 CB GLN A 62 -9.815 2.682 -10.256 1.00 0.31 C ATOM 960 CG GLN A 62 -11.133 2.486 -9.515 1.00 72.15 C ATOM 961 CD GLN A 62 -10.961 1.696 -8.226 1.00 4.44 C ATOM 962 OE1 GLN A 62 -11.073 0.474 -8.212 1.00 32.40 O ATOM 963 NE2 GLN A 62 -10.672 2.381 -7.137 1.00 12.40 N ATOM 0 H GLN A 62 -9.448 5.493 -8.756 1.00 43.10 H new ATOM 0 HA GLN A 62 -8.817 3.384 -8.484 1.00 25.21 H new ATOM 0 HB2 GLN A 62 -10.024 3.067 -11.254 1.00 0.31 H new ATOM 0 HB3 GLN A 62 -9.332 1.713 -10.383 1.00 0.31 H new ATOM 0 HG2 GLN A 62 -11.567 3.460 -9.286 1.00 72.15 H new ATOM 0 HG3 GLN A 62 -11.838 1.968 -10.164 1.00 72.15 H new ATOM 0 HE21 GLN A 62 -10.586 3.396 -7.181 1.00 12.40 H new ATOM 0 HE22 GLN A 62 -10.535 1.895 -6.251 1.00 12.40 H new ATOM 972 N VAL A 63 -6.616 4.538 -10.049 1.00 74.04 N ATOM 973 CA VAL A 63 -5.212 4.484 -10.486 1.00 11.13 C ATOM 974 C VAL A 63 -4.430 3.428 -9.692 1.00 23.55 C ATOM 975 O VAL A 63 -3.630 2.675 -10.252 1.00 43.44 O ATOM 976 CB VAL A 63 -4.508 5.860 -10.328 1.00 4.41 C ATOM 977 CG1 VAL A 63 -3.043 5.785 -10.757 1.00 65.41 C ATOM 978 CG2 VAL A 63 -5.244 6.938 -11.118 1.00 72.22 C ATOM 0 H VAL A 63 -6.916 5.454 -9.715 1.00 74.04 H new ATOM 0 HA VAL A 63 -5.222 4.214 -11.542 1.00 11.13 H new ATOM 0 HB VAL A 63 -4.535 6.128 -9.272 1.00 4.41 H new ATOM 0 HG11 VAL A 63 -2.578 6.763 -10.635 1.00 65.41 H new ATOM 0 HG12 VAL A 63 -2.520 5.055 -10.140 1.00 65.41 H new ATOM 0 HG13 VAL A 63 -2.985 5.484 -11.803 1.00 65.41 H new ATOM 0 HG21 VAL A 63 -4.734 7.893 -10.993 1.00 72.22 H new ATOM 0 HG22 VAL A 63 -5.258 6.669 -12.174 1.00 72.22 H new ATOM 0 HG23 VAL A 63 -6.267 7.023 -10.752 1.00 72.22 H new ATOM 988 N GLY A 64 -4.681 3.375 -8.384 1.00 44.12 N ATOM 989 CA GLY A 64 -4.040 2.386 -7.525 1.00 43.04 C ATOM 990 C GLY A 64 -4.256 0.951 -8.000 1.00 4.21 C ATOM 991 O GLY A 64 -3.308 0.169 -8.089 1.00 32.32 O ATOM 0 H GLY A 64 -5.322 4.004 -7.900 1.00 44.12 H new ATOM 0 HA2 GLY A 64 -2.970 2.591 -7.481 1.00 43.04 H new ATOM 0 HA3 GLY A 64 -4.427 2.489 -6.511 1.00 43.04 H new ATOM 995 N VAL A 65 -5.506 0.606 -8.312 1.00 24.30 N ATOM 996 CA VAL A 65 -5.830 -0.720 -8.851 1.00 22.52 C ATOM 997 C VAL A 65 -5.139 -0.959 -10.207 1.00 12.24 C ATOM 998 O VAL A 65 -4.573 -2.029 -10.448 1.00 3.23 O ATOM 999 CB VAL A 65 -7.362 -0.904 -9.012 1.00 62.54 C ATOM 1000 CG1 VAL A 65 -7.692 -2.266 -9.626 1.00 20.14 C ATOM 1001 CG2 VAL A 65 -8.066 -0.731 -7.666 1.00 1.11 C ATOM 0 H VAL A 65 -6.311 1.223 -8.202 1.00 24.30 H new ATOM 0 HA VAL A 65 -5.460 -1.453 -8.134 1.00 22.52 H new ATOM 0 HB VAL A 65 -7.726 -0.135 -9.693 1.00 62.54 H new ATOM 0 HG11 VAL A 65 -8.773 -2.367 -9.727 1.00 20.14 H new ATOM 0 HG12 VAL A 65 -7.227 -2.345 -10.609 1.00 20.14 H new ATOM 0 HG13 VAL A 65 -7.312 -3.058 -8.980 1.00 20.14 H new ATOM 0 HG21 VAL A 65 -9.140 -0.863 -7.797 1.00 1.11 H new ATOM 0 HG22 VAL A 65 -7.692 -1.474 -6.962 1.00 1.11 H new ATOM 0 HG23 VAL A 65 -7.868 0.268 -7.278 1.00 1.11 H new ATOM 1011 N LYS A 66 -5.174 0.050 -11.083 1.00 44.33 N ATOM 1012 CA LYS A 66 -4.523 -0.039 -12.397 1.00 2.20 C ATOM 1013 C LYS A 66 -3.009 -0.285 -12.262 1.00 52.31 C ATOM 1014 O LYS A 66 -2.407 -0.967 -13.093 1.00 21.11 O ATOM 1015 CB LYS A 66 -4.777 1.237 -13.217 1.00 73.11 C ATOM 1016 CG LYS A 66 -6.244 1.468 -13.580 1.00 72.14 C ATOM 1017 CD LYS A 66 -6.405 2.664 -14.518 1.00 65.02 C ATOM 1018 CE LYS A 66 -7.864 2.907 -14.897 1.00 25.44 C ATOM 1019 NZ LYS A 66 -8.686 3.318 -13.726 1.00 61.34 N ATOM 0 H LYS A 66 -5.645 0.937 -10.908 1.00 44.33 H new ATOM 0 HA LYS A 66 -4.960 -0.890 -12.920 1.00 2.20 H new ATOM 0 HB2 LYS A 66 -4.415 2.096 -12.653 1.00 73.11 H new ATOM 0 HB3 LYS A 66 -4.191 1.188 -14.135 1.00 73.11 H new ATOM 0 HG2 LYS A 66 -6.648 0.574 -14.055 1.00 72.14 H new ATOM 0 HG3 LYS A 66 -6.823 1.635 -12.672 1.00 72.14 H new ATOM 0 HD2 LYS A 66 -6.002 3.556 -14.039 1.00 65.02 H new ATOM 0 HD3 LYS A 66 -5.820 2.496 -15.422 1.00 65.02 H new ATOM 0 HE2 LYS A 66 -7.915 3.680 -15.664 1.00 25.44 H new ATOM 0 HE3 LYS A 66 -8.281 1.999 -15.331 1.00 25.44 H new ATOM 0 HZ1 LYS A 66 -9.653 3.538 -14.040 1.00 61.34 H new ATOM 0 HZ2 LYS A 66 -8.715 2.543 -13.033 1.00 61.34 H new ATOM 0 HZ3 LYS A 66 -8.265 4.161 -13.285 1.00 61.34 H new ATOM 1033 N MET A 67 -2.400 0.276 -11.213 1.00 51.11 N ATOM 1034 CA MET A 67 -0.970 0.068 -10.936 1.00 21.35 C ATOM 1035 C MET A 67 -0.629 -1.423 -10.767 1.00 42.43 C ATOM 1036 O MET A 67 0.477 -1.860 -11.096 1.00 21.21 O ATOM 1037 CB MET A 67 -0.555 0.842 -9.675 1.00 64.04 C ATOM 1038 CG MET A 67 -0.435 2.355 -9.862 1.00 61.55 C ATOM 1039 SD MET A 67 1.160 2.863 -10.553 1.00 20.22 S ATOM 1040 CE MET A 67 0.992 2.400 -12.278 1.00 33.03 C ATOM 0 H MET A 67 -2.873 0.879 -10.539 1.00 51.11 H new ATOM 0 HA MET A 67 -0.414 0.443 -11.795 1.00 21.35 H new ATOM 0 HB2 MET A 67 -1.283 0.644 -8.888 1.00 64.04 H new ATOM 0 HB3 MET A 67 0.403 0.456 -9.328 1.00 64.04 H new ATOM 0 HG2 MET A 67 -1.234 2.698 -10.519 1.00 61.55 H new ATOM 0 HG3 MET A 67 -0.580 2.846 -8.900 1.00 61.55 H new ATOM 0 HE1 MET A 67 1.598 3.064 -12.894 1.00 33.03 H new ATOM 0 HE2 MET A 67 1.328 1.372 -12.413 1.00 33.03 H new ATOM 0 HE3 MET A 67 -0.053 2.482 -12.577 1.00 33.03 H new ATOM 1050 N GLY A 68 -1.581 -2.193 -10.245 1.00 2.33 N ATOM 1051 CA GLY A 68 -1.380 -3.629 -10.073 1.00 12.20 C ATOM 1052 C GLY A 68 -0.315 -3.977 -9.035 1.00 62.53 C ATOM 1053 O GLY A 68 -0.269 -3.381 -7.960 1.00 12.33 O ATOM 0 H GLY A 68 -2.491 -1.851 -9.936 1.00 2.33 H new ATOM 0 HA2 GLY A 68 -2.325 -4.087 -9.780 1.00 12.20 H new ATOM 0 HA3 GLY A 68 -1.098 -4.065 -11.031 1.00 12.20 H new ATOM 1057 N TRP A 69 0.543 -4.940 -9.366 1.00 1.30 N ATOM 1058 CA TRP A 69 1.591 -5.401 -8.444 1.00 41.51 C ATOM 1059 C TRP A 69 2.879 -4.567 -8.576 1.00 62.24 C ATOM 1060 O TRP A 69 3.430 -4.414 -9.666 1.00 3.21 O ATOM 1061 CB TRP A 69 1.928 -6.879 -8.704 1.00 71.22 C ATOM 1062 CG TRP A 69 0.794 -7.835 -8.454 1.00 25.42 C ATOM 1063 CD1 TRP A 69 -0.094 -8.313 -9.374 1.00 71.34 C ATOM 1064 CD2 TRP A 69 0.437 -8.437 -7.203 1.00 62.53 C ATOM 1065 NE1 TRP A 69 -0.974 -9.179 -8.773 1.00 35.33 N ATOM 1066 CE2 TRP A 69 -0.671 -9.273 -7.443 1.00 72.33 C ATOM 1067 CE3 TRP A 69 0.947 -8.356 -5.906 1.00 31.45 C ATOM 1068 CZ2 TRP A 69 -1.275 -10.018 -6.434 1.00 22.23 C ATOM 1069 CZ3 TRP A 69 0.345 -9.096 -4.903 1.00 74.14 C ATOM 1070 CH2 TRP A 69 -0.754 -9.919 -5.173 1.00 4.50 C ATOM 0 H TRP A 69 0.537 -5.420 -10.266 1.00 1.30 H new ATOM 0 HA TRP A 69 1.199 -5.280 -7.434 1.00 41.51 H new ATOM 0 HB2 TRP A 69 2.255 -6.987 -9.738 1.00 71.22 H new ATOM 0 HB3 TRP A 69 2.770 -7.162 -8.073 1.00 71.22 H new ATOM 0 HD1 TRP A 69 -0.103 -8.049 -10.421 1.00 71.34 H new ATOM 0 HE1 TRP A 69 -1.732 -9.673 -9.243 1.00 35.33 H new ATOM 0 HE3 TRP A 69 1.797 -7.726 -5.689 1.00 31.45 H new ATOM 0 HZ2 TRP A 69 -2.125 -10.652 -6.640 1.00 22.23 H new ATOM 0 HZ3 TRP A 69 0.730 -9.037 -3.896 1.00 74.14 H new ATOM 0 HH2 TRP A 69 -1.200 -10.487 -4.370 1.00 4.50 H new ATOM 1081 N LYS A 70 3.347 -4.036 -7.453 1.00 21.34 N ATOM 1082 CA LYS A 70 4.657 -3.379 -7.371 1.00 25.33 C ATOM 1083 C LYS A 70 5.586 -4.206 -6.461 1.00 30.23 C ATOM 1084 O LYS A 70 5.118 -4.798 -5.485 1.00 42.11 O ATOM 1085 CB LYS A 70 4.503 -1.952 -6.820 1.00 43.42 C ATOM 1086 CG LYS A 70 3.629 -1.026 -7.672 1.00 22.11 C ATOM 1087 CD LYS A 70 4.167 -0.866 -9.095 1.00 2.42 C ATOM 1088 CE LYS A 70 3.358 0.148 -9.905 1.00 71.01 C ATOM 1089 NZ LYS A 70 3.559 1.550 -9.429 1.00 72.25 N ATOM 0 H LYS A 70 2.834 -4.046 -6.571 1.00 21.34 H new ATOM 0 HA LYS A 70 5.092 -3.316 -8.368 1.00 25.33 H new ATOM 0 HB2 LYS A 70 4.079 -2.008 -5.818 1.00 43.42 H new ATOM 0 HB3 LYS A 70 5.493 -1.506 -6.723 1.00 43.42 H new ATOM 0 HG2 LYS A 70 2.615 -1.423 -7.712 1.00 22.11 H new ATOM 0 HG3 LYS A 70 3.570 -0.047 -7.196 1.00 22.11 H new ATOM 0 HD2 LYS A 70 5.209 -0.549 -9.055 1.00 2.42 H new ATOM 0 HD3 LYS A 70 4.147 -1.832 -9.600 1.00 2.42 H new ATOM 0 HE2 LYS A 70 3.643 0.080 -10.955 1.00 71.01 H new ATOM 0 HE3 LYS A 70 2.299 -0.105 -9.845 1.00 71.01 H new ATOM 0 HZ1 LYS A 70 3.003 2.200 -10.020 1.00 72.25 H new ATOM 0 HZ2 LYS A 70 3.247 1.629 -8.440 1.00 72.25 H new ATOM 0 HZ3 LYS A 70 4.567 1.798 -9.495 1.00 72.25 H new ATOM 1103 N SER A 71 6.889 -4.262 -6.762 1.00 33.33 N ATOM 1104 CA SER A 71 7.800 -5.139 -5.993 1.00 11.53 C ATOM 1105 C SER A 71 9.277 -4.708 -6.031 1.00 64.34 C ATOM 1106 O SER A 71 10.144 -5.431 -5.533 1.00 32.25 O ATOM 1107 CB SER A 71 7.696 -6.583 -6.508 1.00 53.15 C ATOM 1108 OG SER A 71 8.059 -6.672 -7.879 1.00 75.32 O ATOM 0 H SER A 71 7.333 -3.729 -7.510 1.00 33.33 H new ATOM 0 HA SER A 71 7.474 -5.060 -4.956 1.00 11.53 H new ATOM 0 HB2 SER A 71 8.344 -7.230 -5.916 1.00 53.15 H new ATOM 0 HB3 SER A 71 6.677 -6.946 -6.376 1.00 53.15 H new ATOM 0 HG SER A 71 7.985 -7.603 -8.177 1.00 75.32 H new ATOM 1114 N LYS A 72 9.582 -3.548 -6.611 1.00 24.44 N ATOM 1115 CA LYS A 72 10.979 -3.086 -6.696 1.00 72.42 C ATOM 1116 C LYS A 72 11.142 -1.639 -6.207 1.00 50.53 C ATOM 1117 O LYS A 72 10.193 -0.853 -6.207 1.00 34.23 O ATOM 1118 CB LYS A 72 11.507 -3.227 -8.133 1.00 70.34 C ATOM 1119 CG LYS A 72 11.632 -4.676 -8.608 1.00 70.12 C ATOM 1120 CD LYS A 72 12.571 -5.485 -7.713 1.00 52.11 C ATOM 1121 CE LYS A 72 12.658 -6.945 -8.146 1.00 41.43 C ATOM 1122 NZ LYS A 72 13.506 -7.750 -7.225 1.00 11.42 N ATOM 0 H LYS A 72 8.898 -2.915 -7.025 1.00 24.44 H new ATOM 0 HA LYS A 72 11.569 -3.721 -6.035 1.00 72.42 H new ATOM 0 HB2 LYS A 72 10.841 -2.690 -8.809 1.00 70.34 H new ATOM 0 HB3 LYS A 72 12.484 -2.748 -8.199 1.00 70.34 H new ATOM 0 HG2 LYS A 72 10.647 -5.142 -8.617 1.00 70.12 H new ATOM 0 HG3 LYS A 72 12.002 -4.692 -9.633 1.00 70.12 H new ATOM 0 HD2 LYS A 72 13.566 -5.040 -7.736 1.00 52.11 H new ATOM 0 HD3 LYS A 72 12.222 -5.433 -6.682 1.00 52.11 H new ATOM 0 HE2 LYS A 72 11.656 -7.373 -8.183 1.00 41.43 H new ATOM 0 HE3 LYS A 72 13.066 -7.000 -9.155 1.00 41.43 H new ATOM 0 HZ1 LYS A 72 13.538 -8.736 -7.555 1.00 11.42 H new ATOM 0 HZ2 LYS A 72 14.469 -7.358 -7.209 1.00 11.42 H new ATOM 0 HZ3 LYS A 72 13.104 -7.719 -6.267 1.00 11.42 H new ATOM 1136 N ALA A 73 12.362 -1.298 -5.783 1.00 53.05 N ATOM 1137 CA ALA A 73 12.666 0.048 -5.283 1.00 24.44 C ATOM 1138 C ALA A 73 12.356 1.117 -6.340 1.00 13.31 C ATOM 1139 O ALA A 73 12.838 1.041 -7.474 1.00 11.53 O ATOM 1140 CB ALA A 73 14.127 0.135 -4.844 1.00 5.13 C ATOM 0 H ALA A 73 13.158 -1.936 -5.776 1.00 53.05 H new ATOM 0 HA ALA A 73 12.029 0.239 -4.419 1.00 24.44 H new ATOM 0 HB1 ALA A 73 14.337 1.139 -4.476 1.00 5.13 H new ATOM 0 HB2 ALA A 73 14.312 -0.589 -4.050 1.00 5.13 H new ATOM 0 HB3 ALA A 73 14.775 -0.083 -5.692 1.00 5.13 H new ATOM 1146 N GLY A 74 11.558 2.108 -5.959 1.00 64.51 N ATOM 1147 CA GLY A 74 11.132 3.139 -6.894 1.00 0.21 C ATOM 1148 C GLY A 74 9.647 3.050 -7.239 1.00 42.44 C ATOM 1149 O GLY A 74 9.040 4.038 -7.663 1.00 71.53 O ATOM 0 H GLY A 74 11.195 2.218 -5.012 1.00 64.51 H new ATOM 0 HA2 GLY A 74 11.343 4.119 -6.467 1.00 0.21 H new ATOM 0 HA3 GLY A 74 11.718 3.057 -7.809 1.00 0.21 H new ATOM 1153 N ASP A 75 9.060 1.870 -7.054 1.00 30.13 N ATOM 1154 CA ASP A 75 7.635 1.668 -7.322 1.00 25.22 C ATOM 1155 C ASP A 75 6.754 2.435 -6.321 1.00 75.24 C ATOM 1156 O ASP A 75 6.961 2.362 -5.109 1.00 72.11 O ATOM 1157 CB ASP A 75 7.287 0.176 -7.285 1.00 61.12 C ATOM 1158 CG ASP A 75 7.840 -0.600 -8.467 1.00 60.30 C ATOM 1159 OD1 ASP A 75 8.155 0.025 -9.504 1.00 1.23 O ATOM 1160 OD2 ASP A 75 7.934 -1.845 -8.374 1.00 12.21 O ATOM 0 H ASP A 75 9.547 1.039 -6.720 1.00 30.13 H new ATOM 0 HA ASP A 75 7.433 2.060 -8.319 1.00 25.22 H new ATOM 0 HB2 ASP A 75 7.673 -0.257 -6.362 1.00 61.12 H new ATOM 0 HB3 ASP A 75 6.203 0.063 -7.261 1.00 61.12 H new ATOM 1165 N THR A 76 5.767 3.165 -6.837 1.00 24.52 N ATOM 1166 CA THR A 76 4.860 3.956 -5.988 1.00 40.12 C ATOM 1167 C THR A 76 3.379 3.669 -6.279 1.00 12.52 C ATOM 1168 O THR A 76 3.034 3.030 -7.277 1.00 63.24 O ATOM 1169 CB THR A 76 5.107 5.474 -6.156 1.00 41.52 C ATOM 1170 OG1 THR A 76 4.943 5.852 -7.533 1.00 54.41 O ATOM 1171 CG2 THR A 76 6.504 5.861 -5.673 1.00 60.15 C ATOM 0 H THR A 76 5.570 3.229 -7.836 1.00 24.52 H new ATOM 0 HA THR A 76 5.081 3.655 -4.964 1.00 40.12 H new ATOM 0 HB THR A 76 4.375 6.005 -5.547 1.00 41.52 H new ATOM 0 HG1 THR A 76 5.100 6.815 -7.629 1.00 54.41 H new ATOM 0 HG21 THR A 76 6.650 6.933 -5.803 1.00 60.15 H new ATOM 0 HG22 THR A 76 6.608 5.606 -4.618 1.00 60.15 H new ATOM 0 HG23 THR A 76 7.252 5.320 -6.253 1.00 60.15 H new ATOM 1179 N ILE A 77 2.515 4.141 -5.378 1.00 61.03 N ATOM 1180 CA ILE A 77 1.055 4.023 -5.508 1.00 52.44 C ATOM 1181 C ILE A 77 0.385 5.346 -5.101 1.00 33.31 C ATOM 1182 O ILE A 77 0.593 5.825 -3.987 1.00 60.12 O ATOM 1183 CB ILE A 77 0.494 2.888 -4.605 1.00 42.22 C ATOM 1184 CG1 ILE A 77 1.105 1.523 -4.971 1.00 74.14 C ATOM 1185 CG2 ILE A 77 -1.028 2.830 -4.688 1.00 22.12 C ATOM 1186 CD1 ILE A 77 0.737 1.032 -6.356 1.00 50.24 C ATOM 0 H ILE A 77 2.809 4.621 -4.528 1.00 61.03 H new ATOM 0 HA ILE A 77 0.836 3.788 -6.550 1.00 52.44 H new ATOM 0 HB ILE A 77 0.777 3.117 -3.578 1.00 42.22 H new ATOM 0 HG12 ILE A 77 2.190 1.592 -4.898 1.00 74.14 H new ATOM 0 HG13 ILE A 77 0.782 0.784 -4.238 1.00 74.14 H new ATOM 0 HG21 ILE A 77 -1.397 2.029 -4.048 1.00 22.12 H new ATOM 0 HG22 ILE A 77 -1.447 3.780 -4.357 1.00 22.12 H new ATOM 0 HG23 ILE A 77 -1.329 2.640 -5.718 1.00 22.12 H new ATOM 0 HD11 ILE A 77 1.207 0.065 -6.536 1.00 50.24 H new ATOM 0 HD12 ILE A 77 -0.346 0.929 -6.430 1.00 50.24 H new ATOM 0 HD13 ILE A 77 1.084 1.749 -7.100 1.00 50.24 H new ATOM 1198 N VAL A 78 -0.414 5.933 -5.995 1.00 44.14 N ATOM 1199 CA VAL A 78 -1.045 7.237 -5.726 1.00 63.30 C ATOM 1200 C VAL A 78 -2.580 7.132 -5.618 1.00 2.22 C ATOM 1201 O VAL A 78 -3.254 6.746 -6.572 1.00 10.12 O ATOM 1202 CB VAL A 78 -0.691 8.269 -6.831 1.00 1.20 C ATOM 1203 CG1 VAL A 78 -1.294 9.640 -6.520 1.00 25.14 C ATOM 1204 CG2 VAL A 78 0.824 8.372 -7.022 1.00 34.41 C ATOM 0 H VAL A 78 -0.641 5.534 -6.906 1.00 44.14 H new ATOM 0 HA VAL A 78 -0.651 7.573 -4.767 1.00 63.30 H new ATOM 0 HB VAL A 78 -1.126 7.915 -7.766 1.00 1.20 H new ATOM 0 HG11 VAL A 78 -1.029 10.342 -7.311 1.00 25.14 H new ATOM 0 HG12 VAL A 78 -2.379 9.555 -6.458 1.00 25.14 H new ATOM 0 HG13 VAL A 78 -0.904 10.002 -5.569 1.00 25.14 H new ATOM 0 HG21 VAL A 78 1.044 9.102 -7.802 1.00 34.41 H new ATOM 0 HG22 VAL A 78 1.288 8.688 -6.088 1.00 34.41 H new ATOM 0 HG23 VAL A 78 1.221 7.399 -7.313 1.00 34.41 H new ATOM 1214 N CYS A 79 -3.123 7.466 -4.441 1.00 23.23 N ATOM 1215 CA CYS A 79 -4.582 7.533 -4.237 1.00 51.13 C ATOM 1216 C CYS A 79 -5.014 8.924 -3.743 1.00 1.50 C ATOM 1217 O CYS A 79 -5.135 9.159 -2.534 1.00 63.40 O ATOM 1218 CB CYS A 79 -5.042 6.457 -3.246 1.00 63.44 C ATOM 1219 SG CYS A 79 -4.758 4.762 -3.810 1.00 43.34 S ATOM 0 H CYS A 79 -2.576 7.695 -3.611 1.00 23.23 H new ATOM 0 HA CYS A 79 -5.057 7.350 -5.201 1.00 51.13 H new ATOM 0 HB2 CYS A 79 -4.523 6.605 -2.299 1.00 63.44 H new ATOM 0 HB3 CYS A 79 -6.106 6.590 -3.050 1.00 63.44 H new ATOM 0 HG CYS A 79 -4.351 4.035 -2.812 1.00 43.34 H new ATOM 1225 N LEU A 80 -5.254 9.844 -4.682 1.00 23.12 N ATOM 1226 CA LEU A 80 -5.584 11.241 -4.347 1.00 73.22 C ATOM 1227 C LEU A 80 -6.886 11.368 -3.518 1.00 23.12 C ATOM 1228 O LEU A 80 -6.865 11.958 -2.436 1.00 43.32 O ATOM 1229 CB LEU A 80 -5.668 12.106 -5.623 1.00 62.41 C ATOM 1230 CG LEU A 80 -4.377 12.190 -6.455 1.00 52.13 C ATOM 1231 CD1 LEU A 80 -4.612 12.992 -7.735 1.00 65.02 C ATOM 1232 CD2 LEU A 80 -3.242 12.804 -5.633 1.00 10.33 C ATOM 0 H LEU A 80 -5.227 9.650 -5.683 1.00 23.12 H new ATOM 0 HA LEU A 80 -4.772 11.610 -3.720 1.00 73.22 H new ATOM 0 HB2 LEU A 80 -6.462 11.711 -6.256 1.00 62.41 H new ATOM 0 HB3 LEU A 80 -5.961 13.116 -5.337 1.00 62.41 H new ATOM 0 HG LEU A 80 -4.085 11.178 -6.735 1.00 52.13 H new ATOM 0 HD11 LEU A 80 -3.687 13.040 -8.309 1.00 65.02 H new ATOM 0 HD12 LEU A 80 -5.385 12.507 -8.331 1.00 65.02 H new ATOM 0 HD13 LEU A 80 -4.932 14.002 -7.478 1.00 65.02 H new ATOM 0 HD21 LEU A 80 -2.338 12.854 -6.241 1.00 10.33 H new ATOM 0 HD22 LEU A 80 -3.523 13.809 -5.318 1.00 10.33 H new ATOM 0 HD23 LEU A 80 -3.054 12.187 -4.754 1.00 10.33 H new ATOM 1244 N PRO A 81 -8.034 10.806 -3.980 1.00 71.43 N ATOM 1245 CA PRO A 81 -9.328 10.942 -3.268 1.00 55.13 C ATOM 1246 C PRO A 81 -9.375 10.173 -1.934 1.00 51.14 C ATOM 1247 O PRO A 81 -10.395 10.166 -1.244 1.00 51.13 O ATOM 1248 CB PRO A 81 -10.355 10.362 -4.261 1.00 22.11 C ATOM 1249 CG PRO A 81 -9.631 10.275 -5.564 1.00 23.21 C ATOM 1250 CD PRO A 81 -8.197 10.016 -5.211 1.00 34.13 C ATOM 0 HA PRO A 81 -9.517 11.979 -2.991 1.00 55.13 H new ATOM 0 HB2 PRO A 81 -10.705 9.381 -3.938 1.00 22.11 H new ATOM 0 HB3 PRO A 81 -11.233 11.004 -4.340 1.00 22.11 H new ATOM 0 HG2 PRO A 81 -10.033 9.473 -6.183 1.00 23.21 H new ATOM 0 HG3 PRO A 81 -9.734 11.199 -6.132 1.00 23.21 H new ATOM 0 HD2 PRO A 81 -8.004 8.956 -5.044 1.00 34.13 H new ATOM 0 HD3 PRO A 81 -7.518 10.344 -5.998 1.00 34.13 H new ATOM 1258 N HIS A 82 -8.279 9.499 -1.588 1.00 44.12 N ATOM 1259 CA HIS A 82 -8.162 8.810 -0.294 1.00 54.54 C ATOM 1260 C HIS A 82 -6.999 9.372 0.541 1.00 41.43 C ATOM 1261 O HIS A 82 -6.829 9.004 1.702 1.00 62.23 O ATOM 1262 CB HIS A 82 -7.973 7.301 -0.503 1.00 1.35 C ATOM 1263 CG HIS A 82 -9.160 6.610 -1.110 1.00 61.03 C ATOM 1264 ND1 HIS A 82 -9.119 5.312 -1.562 1.00 22.24 N ATOM 1265 CD2 HIS A 82 -10.429 7.033 -1.327 1.00 43.45 C ATOM 1266 CE1 HIS A 82 -10.298 4.966 -2.025 1.00 71.31 C ATOM 1267 NE2 HIS A 82 -11.113 5.991 -1.895 1.00 14.10 N ATOM 0 H HIS A 82 -7.456 9.413 -2.184 1.00 44.12 H new ATOM 0 HA HIS A 82 -9.088 8.983 0.254 1.00 54.54 H new ATOM 0 HB2 HIS A 82 -7.106 7.140 -1.144 1.00 1.35 H new ATOM 0 HB3 HIS A 82 -7.749 6.838 0.458 1.00 1.35 H new ATOM 0 HD1 HIS A 82 -8.297 4.709 -1.541 1.00 22.24 H new ATOM 0 HD2 HIS A 82 -10.827 8.010 -1.095 1.00 43.45 H new ATOM 0 HE1 HIS A 82 -10.555 4.003 -2.442 1.00 71.31 H new ATOM 1276 N LYS A 83 -6.208 10.267 -0.067 1.00 22.33 N ATOM 1277 CA LYS A 83 -5.060 10.904 0.604 1.00 23.13 C ATOM 1278 C LYS A 83 -3.999 9.868 1.029 1.00 42.03 C ATOM 1279 O LYS A 83 -3.270 10.064 2.008 1.00 54.44 O ATOM 1280 CB LYS A 83 -5.550 11.722 1.812 1.00 71.52 C ATOM 1281 CG LYS A 83 -6.633 12.736 1.454 1.00 1.43 C ATOM 1282 CD LYS A 83 -7.095 13.543 2.664 1.00 31.45 C ATOM 1283 CE LYS A 83 -8.240 14.487 2.306 1.00 73.22 C ATOM 1284 NZ LYS A 83 -7.892 15.375 1.163 1.00 40.41 N ATOM 0 H LYS A 83 -6.342 10.570 -1.032 1.00 22.33 H new ATOM 0 HA LYS A 83 -4.579 11.576 -0.107 1.00 23.13 H new ATOM 0 HB2 LYS A 83 -5.936 11.041 2.571 1.00 71.52 H new ATOM 0 HB3 LYS A 83 -4.703 12.246 2.255 1.00 71.52 H new ATOM 0 HG2 LYS A 83 -6.253 13.415 0.691 1.00 1.43 H new ATOM 0 HG3 LYS A 83 -7.487 12.215 1.021 1.00 1.43 H new ATOM 0 HD2 LYS A 83 -7.416 12.864 3.454 1.00 31.45 H new ATOM 0 HD3 LYS A 83 -6.258 14.119 3.059 1.00 31.45 H new ATOM 0 HE2 LYS A 83 -9.126 13.904 2.056 1.00 73.22 H new ATOM 0 HE3 LYS A 83 -8.494 15.095 3.174 1.00 73.22 H new ATOM 0 HZ1 LYS A 83 -8.612 16.120 1.070 1.00 40.41 H new ATOM 0 HZ2 LYS A 83 -6.963 15.811 1.332 1.00 40.41 H new ATOM 0 HZ3 LYS A 83 -7.858 14.816 0.287 1.00 40.41 H new ATOM 1298 N VAL A 84 -3.899 8.781 0.261 1.00 33.14 N ATOM 1299 CA VAL A 84 -2.944 7.701 0.546 1.00 20.42 C ATOM 1300 C VAL A 84 -1.846 7.625 -0.531 1.00 1.12 C ATOM 1301 O VAL A 84 -2.117 7.763 -1.729 1.00 33.52 O ATOM 1302 CB VAL A 84 -3.663 6.324 0.641 1.00 22.45 C ATOM 1303 CG1 VAL A 84 -2.670 5.207 0.968 1.00 2.40 C ATOM 1304 CG2 VAL A 84 -4.790 6.368 1.673 1.00 61.32 C ATOM 0 H VAL A 84 -4.470 8.622 -0.569 1.00 33.14 H new ATOM 0 HA VAL A 84 -2.484 7.931 1.507 1.00 20.42 H new ATOM 0 HB VAL A 84 -4.103 6.108 -0.333 1.00 22.45 H new ATOM 0 HG11 VAL A 84 -3.199 4.256 1.028 1.00 2.40 H new ATOM 0 HG12 VAL A 84 -1.913 5.152 0.185 1.00 2.40 H new ATOM 0 HG13 VAL A 84 -2.189 5.416 1.924 1.00 2.40 H new ATOM 0 HG21 VAL A 84 -5.277 5.394 1.721 1.00 61.32 H new ATOM 0 HG22 VAL A 84 -4.378 6.616 2.651 1.00 61.32 H new ATOM 0 HG23 VAL A 84 -5.519 7.125 1.383 1.00 61.32 H new ATOM 1314 N PHE A 85 -0.609 7.404 -0.092 1.00 30.35 N ATOM 1315 CA PHE A 85 0.540 7.282 -0.996 1.00 32.44 C ATOM 1316 C PHE A 85 1.512 6.196 -0.504 1.00 3.14 C ATOM 1317 O PHE A 85 1.964 6.227 0.640 1.00 33.04 O ATOM 1318 CB PHE A 85 1.268 8.632 -1.116 1.00 74.01 C ATOM 1319 CG PHE A 85 2.484 8.595 -2.013 1.00 60.34 C ATOM 1320 CD1 PHE A 85 2.348 8.650 -3.394 1.00 60.23 C ATOM 1321 CD2 PHE A 85 3.761 8.498 -1.473 1.00 30.10 C ATOM 1322 CE1 PHE A 85 3.460 8.610 -4.215 1.00 51.42 C ATOM 1323 CE2 PHE A 85 4.873 8.455 -2.291 1.00 70.42 C ATOM 1324 CZ PHE A 85 4.723 8.511 -3.663 1.00 53.13 C ATOM 0 H PHE A 85 -0.372 7.304 0.895 1.00 30.35 H new ATOM 0 HA PHE A 85 0.171 6.990 -1.979 1.00 32.44 H new ATOM 0 HB2 PHE A 85 0.570 9.377 -1.497 1.00 74.01 H new ATOM 0 HB3 PHE A 85 1.572 8.959 -0.122 1.00 74.01 H new ATOM 0 HD1 PHE A 85 1.363 8.725 -3.831 1.00 60.23 H new ATOM 0 HD2 PHE A 85 3.885 8.456 -0.401 1.00 30.10 H new ATOM 0 HE1 PHE A 85 3.341 8.656 -5.287 1.00 51.42 H new ATOM 0 HE2 PHE A 85 5.859 8.378 -1.858 1.00 70.42 H new ATOM 0 HZ PHE A 85 5.592 8.477 -4.304 1.00 53.13 H new ATOM 1334 N VAL A 86 1.829 5.240 -1.370 1.00 22.23 N ATOM 1335 CA VAL A 86 2.747 4.145 -1.025 1.00 22.52 C ATOM 1336 C VAL A 86 4.013 4.188 -1.895 1.00 12.42 C ATOM 1337 O VAL A 86 3.933 4.386 -3.106 1.00 1.43 O ATOM 1338 CB VAL A 86 2.057 2.761 -1.200 1.00 72.41 C ATOM 1339 CG1 VAL A 86 2.989 1.619 -0.800 1.00 63.10 C ATOM 1340 CG2 VAL A 86 0.750 2.701 -0.407 1.00 73.25 C ATOM 0 H VAL A 86 1.465 5.196 -2.322 1.00 22.23 H new ATOM 0 HA VAL A 86 3.026 4.278 0.020 1.00 22.52 H new ATOM 0 HB VAL A 86 1.821 2.640 -2.257 1.00 72.41 H new ATOM 0 HG11 VAL A 86 2.476 0.667 -0.934 1.00 63.10 H new ATOM 0 HG12 VAL A 86 3.881 1.642 -1.425 1.00 63.10 H new ATOM 0 HG13 VAL A 86 3.276 1.732 0.246 1.00 63.10 H new ATOM 0 HG21 VAL A 86 0.286 1.725 -0.544 1.00 73.25 H new ATOM 0 HG22 VAL A 86 0.959 2.858 0.651 1.00 73.25 H new ATOM 0 HG23 VAL A 86 0.073 3.478 -0.762 1.00 73.25 H new ATOM 1350 N GLU A 87 5.180 4.009 -1.279 1.00 22.10 N ATOM 1351 CA GLU A 87 6.449 3.956 -2.019 1.00 1.32 C ATOM 1352 C GLU A 87 7.310 2.772 -1.563 1.00 22.04 C ATOM 1353 O GLU A 87 7.357 2.444 -0.378 1.00 30.44 O ATOM 1354 CB GLU A 87 7.236 5.273 -1.866 1.00 14.13 C ATOM 1355 CG GLU A 87 7.616 5.627 -0.422 1.00 1.40 C ATOM 1356 CD GLU A 87 9.117 5.820 -0.223 1.00 5.34 C ATOM 1357 OE1 GLU A 87 9.757 6.479 -1.076 1.00 41.32 O ATOM 1358 OE2 GLU A 87 9.665 5.329 0.791 1.00 71.43 O ATOM 0 H GLU A 87 5.278 3.898 -0.270 1.00 22.10 H new ATOM 0 HA GLU A 87 6.205 3.818 -3.072 1.00 1.32 H new ATOM 0 HB2 GLU A 87 8.147 5.208 -2.462 1.00 14.13 H new ATOM 0 HB3 GLU A 87 6.641 6.087 -2.281 1.00 14.13 H new ATOM 0 HG2 GLU A 87 7.097 6.540 -0.131 1.00 1.40 H new ATOM 0 HG3 GLU A 87 7.267 4.837 0.242 1.00 1.40 H new ATOM 1365 N ILE A 88 7.978 2.124 -2.511 1.00 12.52 N ATOM 1366 CA ILE A 88 8.847 0.985 -2.208 1.00 21.44 C ATOM 1367 C ILE A 88 10.325 1.400 -2.202 1.00 33.54 C ATOM 1368 O ILE A 88 10.879 1.801 -3.227 1.00 55.33 O ATOM 1369 CB ILE A 88 8.636 -0.171 -3.218 1.00 33.22 C ATOM 1370 CG1 ILE A 88 7.173 -0.645 -3.187 1.00 4.15 C ATOM 1371 CG2 ILE A 88 9.585 -1.331 -2.917 1.00 63.43 C ATOM 1372 CD1 ILE A 88 6.872 -1.781 -4.142 1.00 21.10 C ATOM 0 H ILE A 88 7.936 2.367 -3.501 1.00 12.52 H new ATOM 0 HA ILE A 88 8.576 0.633 -1.213 1.00 21.44 H new ATOM 0 HB ILE A 88 8.860 0.199 -4.219 1.00 33.22 H new ATOM 0 HG12 ILE A 88 6.926 -0.961 -2.174 1.00 4.15 H new ATOM 0 HG13 ILE A 88 6.524 0.198 -3.425 1.00 4.15 H new ATOM 0 HG21 ILE A 88 9.420 -2.132 -3.638 1.00 63.43 H new ATOM 0 HG22 ILE A 88 10.616 -0.985 -2.988 1.00 63.43 H new ATOM 0 HG23 ILE A 88 9.396 -1.704 -1.910 1.00 63.43 H new ATOM 0 HD11 ILE A 88 5.821 -2.057 -4.060 1.00 21.10 H new ATOM 0 HD12 ILE A 88 7.085 -1.464 -5.163 1.00 21.10 H new ATOM 0 HD13 ILE A 88 7.493 -2.641 -3.892 1.00 21.10 H new ATOM 1384 N LYS A 89 10.955 1.293 -1.038 1.00 63.32 N ATOM 1385 CA LYS A 89 12.362 1.680 -0.862 1.00 33.43 C ATOM 1386 C LYS A 89 13.243 0.441 -0.650 1.00 3.14 C ATOM 1387 O LYS A 89 12.739 -0.647 -0.378 1.00 42.41 O ATOM 1388 CB LYS A 89 12.490 2.616 0.346 1.00 23.51 C ATOM 1389 CG LYS A 89 12.122 1.949 1.671 1.00 24.54 C ATOM 1390 CD LYS A 89 12.063 2.942 2.827 1.00 33.01 C ATOM 1391 CE LYS A 89 13.390 3.646 3.056 1.00 0.53 C ATOM 1392 NZ LYS A 89 13.293 4.638 4.157 1.00 34.03 N ATOM 0 H LYS A 89 10.513 0.938 -0.190 1.00 63.32 H new ATOM 0 HA LYS A 89 12.697 2.194 -1.763 1.00 33.43 H new ATOM 0 HB2 LYS A 89 13.514 2.984 0.405 1.00 23.51 H new ATOM 0 HB3 LYS A 89 11.848 3.484 0.194 1.00 23.51 H new ATOM 0 HG2 LYS A 89 11.155 1.456 1.570 1.00 24.54 H new ATOM 0 HG3 LYS A 89 12.853 1.173 1.899 1.00 24.54 H new ATOM 0 HD2 LYS A 89 11.291 3.685 2.625 1.00 33.01 H new ATOM 0 HD3 LYS A 89 11.771 2.418 3.737 1.00 33.01 H new ATOM 0 HE2 LYS A 89 14.158 2.910 3.294 1.00 0.53 H new ATOM 0 HE3 LYS A 89 13.701 4.147 2.139 1.00 0.53 H new ATOM 0 HZ1 LYS A 89 14.215 5.102 4.289 1.00 34.03 H new ATOM 0 HZ2 LYS A 89 12.577 5.353 3.918 1.00 34.03 H new ATOM 0 HZ3 LYS A 89 13.020 4.155 5.036 1.00 34.03 H new ATOM 1406 N SER A 90 14.557 0.606 -0.760 1.00 14.23 N ATOM 1407 CA SER A 90 15.488 -0.503 -0.516 1.00 13.25 C ATOM 1408 C SER A 90 16.050 -0.455 0.907 1.00 1.04 C ATOM 1409 O SER A 90 16.204 0.614 1.495 1.00 24.03 O ATOM 1410 CB SER A 90 16.650 -0.483 -1.517 1.00 63.11 C ATOM 1411 OG SER A 90 17.548 -1.561 -1.274 1.00 60.42 O ATOM 0 H SER A 90 15.004 1.487 -1.014 1.00 14.23 H new ATOM 0 HA SER A 90 14.922 -1.426 -0.644 1.00 13.25 H new ATOM 0 HB2 SER A 90 16.261 -0.550 -2.533 1.00 63.11 H new ATOM 0 HB3 SER A 90 17.184 0.464 -1.442 1.00 63.11 H new ATOM 0 HG SER A 90 17.040 -2.359 -1.017 1.00 60.42 H new ATOM 1417 N THR A 91 16.356 -1.624 1.463 1.00 14.13 N ATOM 1418 CA THR A 91 16.991 -1.706 2.784 1.00 74.13 C ATOM 1419 C THR A 91 18.501 -1.454 2.684 1.00 61.43 C ATOM 1420 O THR A 91 19.206 -1.378 3.696 1.00 71.22 O ATOM 1421 CB THR A 91 16.748 -3.084 3.442 1.00 62.01 C ATOM 1422 OG1 THR A 91 17.329 -4.127 2.645 1.00 65.33 O ATOM 1423 CG2 THR A 91 15.257 -3.351 3.609 1.00 15.14 C ATOM 0 H THR A 91 16.177 -2.527 1.025 1.00 14.13 H new ATOM 0 HA THR A 91 16.537 -0.934 3.405 1.00 74.13 H new ATOM 0 HB THR A 91 17.218 -3.072 4.425 1.00 62.01 H new ATOM 0 HG1 THR A 91 17.169 -4.994 3.074 1.00 65.33 H new ATOM 0 HG21 THR A 91 15.112 -4.326 4.074 1.00 15.14 H new ATOM 0 HG22 THR A 91 14.818 -2.579 4.241 1.00 15.14 H new ATOM 0 HG23 THR A 91 14.774 -3.339 2.632 1.00 15.14 H new ATOM 1431 N GLN A 92 18.992 -1.316 1.454 1.00 52.14 N ATOM 1432 CA GLN A 92 20.410 -1.063 1.203 1.00 10.15 C ATOM 1433 C GLN A 92 20.720 0.438 1.191 1.00 40.22 C ATOM 1434 O GLN A 92 21.135 1.016 2.200 1.00 62.32 O ATOM 1435 CB GLN A 92 20.834 -1.713 -0.122 1.00 73.52 C ATOM 1436 CG GLN A 92 20.561 -3.210 -0.179 1.00 32.33 C ATOM 1437 CD GLN A 92 20.870 -3.808 -1.535 1.00 73.40 C ATOM 1438 OE1 GLN A 92 21.980 -4.259 -1.792 1.00 2.14 O ATOM 1439 NE2 GLN A 92 19.891 -3.810 -2.419 1.00 15.32 N ATOM 0 H GLN A 92 18.424 -1.376 0.609 1.00 52.14 H new ATOM 0 HA GLN A 92 20.982 -1.509 2.017 1.00 10.15 H new ATOM 0 HB2 GLN A 92 20.308 -1.224 -0.942 1.00 73.52 H new ATOM 0 HB3 GLN A 92 21.899 -1.540 -0.278 1.00 73.52 H new ATOM 0 HG2 GLN A 92 21.159 -3.714 0.581 1.00 32.33 H new ATOM 0 HG3 GLN A 92 19.515 -3.394 0.065 1.00 32.33 H new ATOM 0 HE21 GLN A 92 18.979 -3.426 -2.171 1.00 15.32 H new ATOM 0 HE22 GLN A 92 20.046 -4.195 -3.351 1.00 15.32 H new