USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 811 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 101 ASN : amide:sc= -0.244 K(o=0.7,f=-0.77) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= 0.942 F(o=-0.17,f=0.7) USER MOD Set 2.1: A 89 THR OG1 : rot 138:sc= 0.485 USER MOD Set 2.2: A 91 ASN : amide:sc= 0.6 K(o=1.1,f=-0.094) USER MOD Set 3.1: A 19 MET CE :methyl 165:sc= -0.051 (180deg=0) USER MOD Set 3.2: A 90 MET CE :methyl -144:sc= -3.75 (180deg=-6.74!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 159:sc= -2.2 (180deg=-3.74) USER MOD Single : A 6 ASN : amide:sc= -0.0912 K(o=-0.091,f=-2.1) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.917 USER MOD Single : A 22 GLN : amide:sc= -0.0747 K(o=-0.075,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 34 ASN : amide:sc= -0.0645 K(o=-0.064,f=-3.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 61 SER OG : rot -104:sc= -1.32 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -22:sc= -0.692 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.11) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000442) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 7.772 -13.052 -4.323 1.00 60.52 N ATOM 30 CA SER A 4 7.569 -12.132 -3.211 1.00 41.55 C ATOM 31 C SER A 4 6.379 -11.213 -3.477 1.00 2.52 C ATOM 32 O SER A 4 5.942 -11.060 -4.617 1.00 62.20 O ATOM 33 CB SER A 4 8.829 -11.296 -2.976 1.00 70.41 C ATOM 34 OG SER A 4 8.736 -10.039 -3.621 1.00 41.34 O ATOM 0 HA SER A 4 7.360 -12.721 -2.318 1.00 41.55 H new ATOM 0 HB2 SER A 4 8.977 -11.149 -1.906 1.00 70.41 H new ATOM 0 HB3 SER A 4 9.701 -11.835 -3.347 1.00 70.41 H new ATOM 0 HG SER A 4 9.553 -9.524 -3.454 1.00 41.34 H new ATOM 40 N MET A 5 5.861 -10.603 -2.415 1.00 64.53 N ATOM 41 CA MET A 5 4.724 -9.699 -2.534 1.00 31.24 C ATOM 42 C MET A 5 5.189 -8.249 -2.619 1.00 34.12 C ATOM 43 O MET A 5 5.900 -7.762 -1.740 1.00 72.34 O ATOM 44 CB MET A 5 3.780 -9.875 -1.342 1.00 12.42 C ATOM 45 CG MET A 5 2.312 -9.927 -1.733 1.00 33.41 C ATOM 46 SD MET A 5 1.210 -9.762 -0.315 1.00 15.11 S ATOM 47 CE MET A 5 1.535 -8.069 0.170 1.00 31.11 C ATOM 0 H MET A 5 6.211 -10.719 -1.464 1.00 64.53 H new ATOM 0 HA MET A 5 4.190 -9.945 -3.452 1.00 31.24 H new ATOM 0 HB2 MET A 5 4.040 -10.793 -0.815 1.00 12.42 H new ATOM 0 HB3 MET A 5 3.933 -9.052 -0.643 1.00 12.42 H new ATOM 0 HG2 MET A 5 2.102 -9.130 -2.447 1.00 33.41 H new ATOM 0 HG3 MET A 5 2.108 -10.871 -2.239 1.00 33.41 H new ATOM 0 HE1 MET A 5 0.701 -7.694 0.764 1.00 31.11 H new ATOM 0 HE2 MET A 5 2.449 -8.029 0.762 1.00 31.11 H new ATOM 0 HE3 MET A 5 1.653 -7.452 -0.721 1.00 31.11 H new ATOM 57 N ASN A 6 4.783 -7.564 -3.683 1.00 21.12 N ATOM 58 CA ASN A 6 5.160 -6.169 -3.883 1.00 74.40 C ATOM 59 C ASN A 6 4.023 -5.236 -3.478 1.00 14.34 C ATOM 60 O ASN A 6 2.951 -5.247 -4.083 1.00 12.25 O ATOM 61 CB ASN A 6 5.537 -5.925 -5.345 1.00 73.22 C ATOM 62 CG ASN A 6 6.542 -6.938 -5.859 1.00 40.11 C ATOM 63 OD1 ASN A 6 7.197 -7.630 -5.080 1.00 20.11 O ATOM 64 ND2 ASN A 6 6.668 -7.030 -7.178 1.00 44.43 N ATOM 0 H ASN A 6 4.193 -7.952 -4.420 1.00 21.12 H new ATOM 0 HA ASN A 6 6.023 -5.958 -3.252 1.00 74.40 H new ATOM 0 HB2 ASN A 6 4.638 -5.964 -5.961 1.00 73.22 H new ATOM 0 HB3 ASN A 6 5.951 -4.922 -5.448 1.00 73.22 H new ATOM 0 HD21 ASN A 6 7.328 -7.694 -7.582 1.00 44.43 H new ATOM 0 HD22 ASN A 6 6.105 -6.436 -7.787 1.00 44.43 H new ATOM 71 N ILE A 7 4.265 -4.429 -2.449 1.00 63.04 N ATOM 72 CA ILE A 7 3.263 -3.488 -1.964 1.00 43.31 C ATOM 73 C ILE A 7 3.507 -2.089 -2.521 1.00 63.13 C ATOM 74 O ILE A 7 4.647 -1.626 -2.587 1.00 1.31 O ATOM 75 CB ILE A 7 3.253 -3.421 -0.426 1.00 12.02 C ATOM 76 CG1 ILE A 7 2.951 -4.800 0.163 1.00 23.24 C ATOM 77 CG2 ILE A 7 2.231 -2.400 0.053 1.00 51.33 C ATOM 78 CD1 ILE A 7 2.924 -4.819 1.676 1.00 2.40 C ATOM 0 H ILE A 7 5.146 -4.409 -1.936 1.00 63.04 H new ATOM 0 HA ILE A 7 2.295 -3.851 -2.311 1.00 43.31 H new ATOM 0 HB ILE A 7 4.239 -3.107 -0.084 1.00 12.02 H new ATOM 0 HG12 ILE A 7 1.988 -5.144 -0.214 1.00 23.24 H new ATOM 0 HG13 ILE A 7 3.702 -5.508 -0.188 1.00 23.24 H new ATOM 0 HG21 ILE A 7 2.236 -2.364 1.142 1.00 51.33 H new ATOM 0 HG22 ILE A 7 2.485 -1.417 -0.344 1.00 51.33 H new ATOM 0 HG23 ILE A 7 1.239 -2.687 -0.296 1.00 51.33 H new ATOM 0 HD11 ILE A 7 2.704 -5.829 2.023 1.00 2.40 H new ATOM 0 HD12 ILE A 7 3.894 -4.506 2.061 1.00 2.40 H new ATOM 0 HD13 ILE A 7 2.154 -4.136 2.035 1.00 2.40 H new ATOM 90 N LEU A 8 2.431 -1.421 -2.919 1.00 2.44 N ATOM 91 CA LEU A 8 2.527 -0.073 -3.468 1.00 63.13 C ATOM 92 C LEU A 8 1.909 0.948 -2.518 1.00 61.33 C ATOM 93 O LEU A 8 0.807 0.748 -2.006 1.00 52.14 O ATOM 94 CB LEU A 8 1.833 -0.005 -4.830 1.00 0.13 C ATOM 95 CG LEU A 8 1.958 1.320 -5.581 1.00 51.44 C ATOM 96 CD1 LEU A 8 0.949 2.331 -5.057 1.00 23.42 C ATOM 97 CD2 LEU A 8 3.374 1.867 -5.466 1.00 75.23 C ATOM 0 H LEU A 8 1.481 -1.790 -2.872 1.00 2.44 H new ATOM 0 HA LEU A 8 3.583 0.167 -3.593 1.00 63.13 H new ATOM 0 HB2 LEU A 8 2.237 -0.797 -5.461 1.00 0.13 H new ATOM 0 HB3 LEU A 8 0.774 -0.220 -4.687 1.00 0.13 H new ATOM 0 HG LEU A 8 1.744 1.139 -6.634 1.00 51.44 H new ATOM 0 HD11 LEU A 8 1.054 3.268 -5.605 1.00 23.42 H new ATOM 0 HD12 LEU A 8 -0.060 1.942 -5.194 1.00 23.42 H new ATOM 0 HD13 LEU A 8 1.129 2.509 -3.997 1.00 23.42 H new ATOM 0 HD21 LEU A 8 3.444 2.811 -6.007 1.00 75.23 H new ATOM 0 HD22 LEU A 8 3.616 2.031 -4.416 1.00 75.23 H new ATOM 0 HD23 LEU A 8 4.076 1.151 -5.893 1.00 75.23 H new ATOM 109 N LEU A 9 2.625 2.043 -2.287 1.00 53.15 N ATOM 110 CA LEU A 9 2.146 3.098 -1.401 1.00 32.54 C ATOM 111 C LEU A 9 2.083 4.437 -2.130 1.00 33.52 C ATOM 112 O LEU A 9 3.004 4.801 -2.860 1.00 3.04 O ATOM 113 CB LEU A 9 3.055 3.213 -0.176 1.00 22.32 C ATOM 114 CG LEU A 9 2.626 4.227 0.885 1.00 23.53 C ATOM 115 CD1 LEU A 9 1.266 3.857 1.458 1.00 75.15 C ATOM 116 CD2 LEU A 9 3.666 4.312 1.993 1.00 41.31 C ATOM 0 H LEU A 9 3.540 2.223 -2.701 1.00 53.15 H new ATOM 0 HA LEU A 9 1.139 2.836 -1.076 1.00 32.54 H new ATOM 0 HB2 LEU A 9 3.123 2.232 0.294 1.00 22.32 H new ATOM 0 HB3 LEU A 9 4.057 3.474 -0.515 1.00 22.32 H new ATOM 0 HG LEU A 9 2.545 5.206 0.412 1.00 23.53 H new ATOM 0 HD11 LEU A 9 0.977 4.590 2.211 1.00 75.15 H new ATOM 0 HD12 LEU A 9 0.525 3.847 0.659 1.00 75.15 H new ATOM 0 HD13 LEU A 9 1.320 2.869 1.915 1.00 75.15 H new ATOM 0 HD21 LEU A 9 3.344 5.038 2.739 1.00 41.31 H new ATOM 0 HD22 LEU A 9 3.778 3.335 2.463 1.00 41.31 H new ATOM 0 HD23 LEU A 9 4.622 4.624 1.572 1.00 41.31 H new ATOM 128 N VAL A 10 0.991 5.165 -1.925 1.00 31.15 N ATOM 129 CA VAL A 10 0.809 6.465 -2.560 1.00 11.12 C ATOM 130 C VAL A 10 0.430 7.529 -1.536 1.00 33.41 C ATOM 131 O VAL A 10 -0.689 7.539 -1.021 1.00 52.31 O ATOM 132 CB VAL A 10 -0.276 6.410 -3.652 1.00 22.32 C ATOM 133 CG1 VAL A 10 -0.519 7.794 -4.234 1.00 34.52 C ATOM 134 CG2 VAL A 10 0.116 5.424 -4.743 1.00 12.12 C ATOM 0 H VAL A 10 0.219 4.877 -1.324 1.00 31.15 H new ATOM 0 HA VAL A 10 1.762 6.729 -3.018 1.00 11.12 H new ATOM 0 HB VAL A 10 -1.206 6.065 -3.199 1.00 22.32 H new ATOM 0 HG11 VAL A 10 -1.289 7.735 -5.004 1.00 34.52 H new ATOM 0 HG12 VAL A 10 -0.847 8.469 -3.443 1.00 34.52 H new ATOM 0 HG13 VAL A 10 0.405 8.172 -4.673 1.00 34.52 H new ATOM 0 HG21 VAL A 10 -0.662 5.398 -5.506 1.00 12.12 H new ATOM 0 HG22 VAL A 10 1.057 5.737 -5.195 1.00 12.12 H new ATOM 0 HG23 VAL A 10 0.233 4.430 -4.310 1.00 12.12 H new ATOM 144 N CYS A 11 1.369 8.422 -1.244 1.00 74.41 N ATOM 145 CA CYS A 11 1.133 9.491 -0.280 1.00 42.32 C ATOM 146 C CYS A 11 1.253 10.858 -0.945 1.00 52.41 C ATOM 147 O CYS A 11 0.496 11.778 -0.636 1.00 51.22 O ATOM 148 CB CYS A 11 2.124 9.387 0.881 1.00 41.53 C ATOM 149 SG CYS A 11 2.256 7.730 1.592 1.00 23.15 S ATOM 0 H CYS A 11 2.300 8.427 -1.660 1.00 74.41 H new ATOM 0 HA CYS A 11 0.119 9.382 0.106 1.00 42.32 H new ATOM 0 HB2 CYS A 11 3.108 9.701 0.534 1.00 41.53 H new ATOM 0 HB3 CYS A 11 1.825 10.084 1.664 1.00 41.53 H new ATOM 0 HG CYS A 11 3.119 7.742 2.564 1.00 23.15 H new ATOM 232 N MET A 19 9.045 7.432 7.792 1.00 62.52 N ATOM 233 CA MET A 19 8.683 6.725 9.015 1.00 23.21 C ATOM 234 C MET A 19 7.883 5.466 8.700 1.00 71.14 C ATOM 235 O MET A 19 8.254 4.363 9.105 1.00 3.11 O ATOM 236 CB MET A 19 7.875 7.639 9.938 1.00 50.11 C ATOM 237 CG MET A 19 8.708 8.726 10.598 1.00 42.52 C ATOM 238 SD MET A 19 7.772 10.240 10.885 1.00 33.11 S ATOM 239 CE MET A 19 8.143 10.546 12.611 1.00 62.42 C ATOM 0 HA MET A 19 9.603 6.432 9.520 1.00 23.21 H new ATOM 0 HB2 MET A 19 7.074 8.105 9.364 1.00 50.11 H new ATOM 0 HB3 MET A 19 7.403 7.034 10.712 1.00 50.11 H new ATOM 0 HG2 MET A 19 9.094 8.356 11.548 1.00 42.52 H new ATOM 0 HG3 MET A 19 9.570 8.950 9.969 1.00 42.52 H new ATOM 0 HE1 MET A 19 7.866 11.569 12.867 1.00 62.42 H new ATOM 0 HE2 MET A 19 7.579 9.851 13.233 1.00 62.42 H new ATOM 0 HE3 MET A 19 9.210 10.405 12.784 1.00 62.42 H new ATOM 249 N LEU A 20 6.783 5.636 7.973 1.00 4.50 N ATOM 250 CA LEU A 20 5.930 4.513 7.603 1.00 72.31 C ATOM 251 C LEU A 20 6.745 3.400 6.953 1.00 42.24 C ATOM 252 O LEU A 20 6.826 2.288 7.475 1.00 54.23 O ATOM 253 CB LEU A 20 4.827 4.978 6.648 1.00 23.54 C ATOM 254 CG LEU A 20 3.563 5.535 7.304 1.00 71.40 C ATOM 255 CD1 LEU A 20 2.804 4.430 8.023 1.00 53.25 C ATOM 256 CD2 LEU A 20 3.913 6.658 8.269 1.00 4.30 C ATOM 0 H LEU A 20 6.462 6.541 7.629 1.00 4.50 H new ATOM 0 HA LEU A 20 5.474 4.120 8.512 1.00 72.31 H new ATOM 0 HB2 LEU A 20 5.241 5.745 5.993 1.00 23.54 H new ATOM 0 HB3 LEU A 20 4.544 4.137 6.015 1.00 23.54 H new ATOM 0 HG LEU A 20 2.920 5.941 6.523 1.00 71.40 H new ATOM 0 HD11 LEU A 20 1.908 4.845 8.484 1.00 53.25 H new ATOM 0 HD12 LEU A 20 2.520 3.658 7.307 1.00 53.25 H new ATOM 0 HD13 LEU A 20 3.440 3.994 8.794 1.00 53.25 H new ATOM 0 HD21 LEU A 20 3.001 7.042 8.726 1.00 4.30 H new ATOM 0 HD22 LEU A 20 4.576 6.277 9.046 1.00 4.30 H new ATOM 0 HD23 LEU A 20 4.413 7.461 7.727 1.00 4.30 H new ATOM 268 N VAL A 21 7.352 3.708 5.811 1.00 53.14 N ATOM 269 CA VAL A 21 8.164 2.735 5.090 1.00 10.50 C ATOM 270 C VAL A 21 9.202 2.099 6.008 1.00 41.04 C ATOM 271 O VAL A 21 9.471 0.901 5.920 1.00 52.53 O ATOM 272 CB VAL A 21 8.884 3.383 3.891 1.00 32.51 C ATOM 273 CG1 VAL A 21 9.706 4.579 4.344 1.00 20.13 C ATOM 274 CG2 VAL A 21 9.759 2.362 3.181 1.00 34.21 C ATOM 0 H VAL A 21 7.297 4.624 5.365 1.00 53.14 H new ATOM 0 HA VAL A 21 7.485 1.965 4.724 1.00 10.50 H new ATOM 0 HB VAL A 21 8.132 3.737 3.186 1.00 32.51 H new ATOM 0 HG11 VAL A 21 10.207 5.023 3.484 1.00 20.13 H new ATOM 0 HG12 VAL A 21 9.050 5.318 4.804 1.00 20.13 H new ATOM 0 HG13 VAL A 21 10.451 4.254 5.070 1.00 20.13 H new ATOM 0 HG21 VAL A 21 10.260 2.836 2.337 1.00 34.21 H new ATOM 0 HG22 VAL A 21 10.505 1.976 3.876 1.00 34.21 H new ATOM 0 HG23 VAL A 21 9.140 1.540 2.820 1.00 34.21 H new ATOM 284 N GLN A 22 9.781 2.909 6.888 1.00 63.32 N ATOM 285 CA GLN A 22 10.791 2.424 7.823 1.00 55.31 C ATOM 286 C GLN A 22 10.209 1.361 8.749 1.00 34.21 C ATOM 287 O GLN A 22 10.819 0.316 8.971 1.00 21.33 O ATOM 288 CB GLN A 22 11.351 3.584 8.647 1.00 31.44 C ATOM 289 CG GLN A 22 12.538 4.275 7.995 1.00 22.30 C ATOM 290 CD GLN A 22 13.844 3.990 8.711 1.00 53.14 C ATOM 291 OE1 GLN A 22 14.089 2.870 9.159 1.00 52.12 O ATOM 292 NE2 GLN A 22 14.692 5.007 8.823 1.00 73.34 N ATOM 0 H GLN A 22 9.569 3.903 6.974 1.00 63.32 H new ATOM 0 HA GLN A 22 11.599 1.974 7.246 1.00 55.31 H new ATOM 0 HB2 GLN A 22 10.561 4.316 8.812 1.00 31.44 H new ATOM 0 HB3 GLN A 22 11.651 3.212 9.627 1.00 31.44 H new ATOM 0 HG2 GLN A 22 12.618 3.950 6.958 1.00 22.30 H new ATOM 0 HG3 GLN A 22 12.364 5.351 7.979 1.00 22.30 H new ATOM 0 HE21 GLN A 22 14.448 5.919 8.437 1.00 73.34 H new ATOM 0 HE22 GLN A 22 15.587 4.876 9.295 1.00 73.34 H new ATOM 301 N ARG A 23 9.024 1.635 9.286 1.00 53.21 N ATOM 302 CA ARG A 23 8.360 0.703 10.190 1.00 45.52 C ATOM 303 C ARG A 23 7.990 -0.587 9.464 1.00 42.23 C ATOM 304 O ARG A 23 8.077 -1.677 10.032 1.00 43.24 O ATOM 305 CB ARG A 23 7.106 1.343 10.786 1.00 51.53 C ATOM 306 CG ARG A 23 7.399 2.522 11.700 1.00 40.22 C ATOM 307 CD ARG A 23 7.997 2.066 13.022 1.00 62.24 C ATOM 308 NE ARG A 23 8.518 3.186 13.801 1.00 24.23 N ATOM 309 CZ ARG A 23 7.758 3.974 14.553 1.00 23.53 C ATOM 310 NH1 ARG A 23 6.451 3.766 14.627 1.00 53.15 N ATOM 311 NH2 ARG A 23 8.305 4.972 15.235 1.00 63.05 N ATOM 0 H ARG A 23 8.504 2.495 9.111 1.00 53.21 H new ATOM 0 HA ARG A 23 9.053 0.461 10.996 1.00 45.52 H new ATOM 0 HB2 ARG A 23 6.458 1.675 9.975 1.00 51.53 H new ATOM 0 HB3 ARG A 23 6.554 0.588 11.346 1.00 51.53 H new ATOM 0 HG2 ARG A 23 8.088 3.206 11.204 1.00 40.22 H new ATOM 0 HG3 ARG A 23 6.479 3.076 11.887 1.00 40.22 H new ATOM 0 HD2 ARG A 23 7.237 1.543 13.603 1.00 62.24 H new ATOM 0 HD3 ARG A 23 8.799 1.353 12.831 1.00 62.24 H new ATOM 0 HE ARG A 23 9.520 3.373 13.766 1.00 24.23 H new ATOM 0 HH11 ARG A 23 6.026 2.999 14.106 1.00 53.15 H new ATOM 0 HH12 ARG A 23 5.870 4.373 15.205 1.00 53.15 H new ATOM 0 HH21 ARG A 23 9.311 5.135 15.182 1.00 63.05 H new ATOM 0 HH22 ARG A 23 7.720 5.576 15.812 1.00 63.05 H new ATOM 325 N ILE A 24 7.578 -0.456 8.207 1.00 11.32 N ATOM 326 CA ILE A 24 7.195 -1.611 7.405 1.00 14.42 C ATOM 327 C ILE A 24 8.407 -2.473 7.069 1.00 40.54 C ATOM 328 O ILE A 24 8.413 -3.677 7.319 1.00 23.22 O ATOM 329 CB ILE A 24 6.505 -1.183 6.096 1.00 33.34 C ATOM 330 CG1 ILE A 24 5.246 -0.368 6.401 1.00 34.32 C ATOM 331 CG2 ILE A 24 6.161 -2.404 5.256 1.00 52.14 C ATOM 332 CD1 ILE A 24 4.873 0.601 5.302 1.00 54.15 C ATOM 0 H ILE A 24 7.501 0.438 7.723 1.00 11.32 H new ATOM 0 HA ILE A 24 6.493 -2.192 8.003 1.00 14.42 H new ATOM 0 HB ILE A 24 7.192 -0.556 5.528 1.00 33.34 H new ATOM 0 HG12 ILE A 24 4.413 -1.051 6.570 1.00 34.32 H new ATOM 0 HG13 ILE A 24 5.397 0.186 7.327 1.00 34.32 H new ATOM 0 HG21 ILE A 24 5.674 -2.086 4.334 1.00 52.14 H new ATOM 0 HG22 ILE A 24 7.074 -2.949 5.015 1.00 52.14 H new ATOM 0 HG23 ILE A 24 5.488 -3.053 5.816 1.00 52.14 H new ATOM 0 HD11 ILE A 24 3.972 1.144 5.586 1.00 54.15 H new ATOM 0 HD12 ILE A 24 5.689 1.307 5.147 1.00 54.15 H new ATOM 0 HD13 ILE A 24 4.689 0.051 4.379 1.00 54.15 H new ATOM 344 N GLU A 25 9.433 -1.845 6.501 1.00 22.03 N ATOM 345 CA GLU A 25 10.652 -2.555 6.132 1.00 71.51 C ATOM 346 C GLU A 25 11.310 -3.181 7.358 1.00 32.34 C ATOM 347 O GLU A 25 11.882 -4.269 7.283 1.00 14.12 O ATOM 348 CB GLU A 25 11.633 -1.605 5.443 1.00 25.12 C ATOM 349 CG GLU A 25 12.224 -0.559 6.374 1.00 74.13 C ATOM 350 CD GLU A 25 13.213 0.353 5.675 1.00 60.34 C ATOM 351 OE1 GLU A 25 13.331 0.262 4.435 1.00 71.44 O ATOM 352 OE2 GLU A 25 13.871 1.156 6.369 1.00 53.12 O ATOM 0 H GLU A 25 9.444 -0.848 6.287 1.00 22.03 H new ATOM 0 HA GLU A 25 10.382 -3.352 5.439 1.00 71.51 H new ATOM 0 HB2 GLU A 25 12.443 -2.188 5.005 1.00 25.12 H new ATOM 0 HB3 GLU A 25 11.122 -1.101 4.622 1.00 25.12 H new ATOM 0 HG2 GLU A 25 11.419 0.041 6.798 1.00 74.13 H new ATOM 0 HG3 GLU A 25 12.721 -1.058 7.206 1.00 74.13 H new ATOM 359 N LYS A 26 11.225 -2.486 8.487 1.00 22.43 N ATOM 360 CA LYS A 26 11.810 -2.973 9.731 1.00 1.44 C ATOM 361 C LYS A 26 11.072 -4.210 10.233 1.00 70.43 C ATOM 362 O LYS A 26 11.665 -5.278 10.388 1.00 22.35 O ATOM 363 CB LYS A 26 11.773 -1.877 10.799 1.00 60.03 C ATOM 364 CG LYS A 26 12.919 -0.885 10.691 1.00 11.21 C ATOM 365 CD LYS A 26 12.680 0.338 11.561 1.00 1.32 C ATOM 366 CE LYS A 26 13.944 1.170 11.712 1.00 50.51 C ATOM 367 NZ LYS A 26 14.734 0.768 12.909 1.00 72.04 N ATOM 0 H LYS A 26 10.757 -1.583 8.566 1.00 22.43 H new ATOM 0 HA LYS A 26 12.847 -3.245 9.533 1.00 1.44 H new ATOM 0 HB2 LYS A 26 10.829 -1.338 10.723 1.00 60.03 H new ATOM 0 HB3 LYS A 26 11.796 -2.341 11.785 1.00 60.03 H new ATOM 0 HG2 LYS A 26 13.849 -1.368 10.989 1.00 11.21 H new ATOM 0 HG3 LYS A 26 13.038 -0.576 9.652 1.00 11.21 H new ATOM 0 HD2 LYS A 26 11.891 0.949 11.123 1.00 1.32 H new ATOM 0 HD3 LYS A 26 12.330 0.024 12.544 1.00 1.32 H new ATOM 0 HE2 LYS A 26 14.559 1.062 10.818 1.00 50.51 H new ATOM 0 HE3 LYS A 26 13.678 2.224 11.790 1.00 50.51 H new ATOM 0 HZ1 LYS A 26 15.587 1.359 12.976 1.00 72.04 H new ATOM 0 HZ2 LYS A 26 14.157 0.895 13.765 1.00 72.04 H new ATOM 0 HZ3 LYS A 26 15.010 -0.231 12.823 1.00 72.04 H new ATOM 381 N TYR A 27 9.777 -4.060 10.482 1.00 13.31 N ATOM 382 CA TYR A 27 8.959 -5.165 10.967 1.00 74.41 C ATOM 383 C TYR A 27 9.118 -6.393 10.075 1.00 0.13 C ATOM 384 O TYR A 27 9.328 -7.504 10.561 1.00 13.00 O ATOM 385 CB TYR A 27 7.487 -4.751 11.025 1.00 31.54 C ATOM 386 CG TYR A 27 6.546 -5.898 11.318 1.00 71.35 C ATOM 387 CD1 TYR A 27 6.027 -6.676 10.291 1.00 53.34 C ATOM 388 CD2 TYR A 27 6.177 -6.204 12.622 1.00 53.52 C ATOM 389 CE1 TYR A 27 5.166 -7.724 10.553 1.00 34.23 C ATOM 390 CE2 TYR A 27 5.318 -7.251 12.894 1.00 53.11 C ATOM 391 CZ TYR A 27 4.815 -8.008 11.856 1.00 3.23 C ATOM 392 OH TYR A 27 3.958 -9.051 12.123 1.00 23.20 O ATOM 0 H TYR A 27 9.270 -3.184 10.356 1.00 13.31 H new ATOM 0 HA TYR A 27 9.298 -5.421 11.971 1.00 74.41 H new ATOM 0 HB2 TYR A 27 7.363 -3.986 11.792 1.00 31.54 H new ATOM 0 HB3 TYR A 27 7.208 -4.297 10.074 1.00 31.54 H new ATOM 0 HD1 TYR A 27 6.301 -6.458 9.270 1.00 53.34 H new ATOM 0 HD2 TYR A 27 6.568 -5.613 13.437 1.00 53.52 H new ATOM 0 HE1 TYR A 27 4.770 -8.317 9.742 1.00 34.23 H new ATOM 0 HE2 TYR A 27 5.042 -7.476 13.914 1.00 53.11 H new ATOM 0 HH TYR A 27 3.814 -9.117 13.090 1.00 23.20 H new ATOM 402 N ALA A 28 9.017 -6.183 8.767 1.00 51.45 N ATOM 403 CA ALA A 28 9.153 -7.270 7.806 1.00 62.33 C ATOM 404 C ALA A 28 10.549 -7.882 7.861 1.00 3.44 C ATOM 405 O ALA A 28 10.702 -9.096 7.991 1.00 52.24 O ATOM 406 CB ALA A 28 8.847 -6.775 6.401 1.00 44.42 C ATOM 0 H ALA A 28 8.841 -5.270 8.348 1.00 51.45 H new ATOM 0 HA ALA A 28 8.434 -8.046 8.070 1.00 62.33 H new ATOM 0 HB1 ALA A 28 8.953 -7.598 5.694 1.00 44.42 H new ATOM 0 HB2 ALA A 28 7.827 -6.394 6.364 1.00 44.42 H new ATOM 0 HB3 ALA A 28 9.542 -5.978 6.137 1.00 44.42 H new ATOM 412 N LYS A 29 11.566 -7.032 7.764 1.00 50.15 N ATOM 413 CA LYS A 29 12.950 -7.486 7.803 1.00 61.52 C ATOM 414 C LYS A 29 13.212 -8.324 9.051 1.00 71.13 C ATOM 415 O LYS A 29 14.026 -9.247 9.031 1.00 24.25 O ATOM 416 CB LYS A 29 13.903 -6.290 7.770 1.00 64.01 C ATOM 417 CG LYS A 29 15.356 -6.663 8.005 1.00 24.50 C ATOM 418 CD LYS A 29 16.298 -5.747 7.241 1.00 2.32 C ATOM 419 CE LYS A 29 16.524 -4.437 7.981 1.00 72.34 C ATOM 420 NZ LYS A 29 17.509 -3.567 7.281 1.00 74.54 N ATOM 0 H LYS A 29 11.457 -6.023 7.658 1.00 50.15 H new ATOM 0 HA LYS A 29 13.127 -8.107 6.925 1.00 61.52 H new ATOM 0 HB2 LYS A 29 13.816 -5.793 6.804 1.00 64.01 H new ATOM 0 HB3 LYS A 29 13.595 -5.569 8.528 1.00 64.01 H new ATOM 0 HG2 LYS A 29 15.579 -6.608 9.071 1.00 24.50 H new ATOM 0 HG3 LYS A 29 15.522 -7.695 7.697 1.00 24.50 H new ATOM 0 HD2 LYS A 29 17.253 -6.250 7.090 1.00 2.32 H new ATOM 0 HD3 LYS A 29 15.886 -5.542 6.253 1.00 2.32 H new ATOM 0 HE2 LYS A 29 15.577 -3.907 8.079 1.00 72.34 H new ATOM 0 HE3 LYS A 29 16.878 -4.647 8.991 1.00 72.34 H new ATOM 0 HZ1 LYS A 29 17.635 -2.685 7.817 1.00 74.54 H new ATOM 0 HZ2 LYS A 29 18.421 -4.062 7.210 1.00 74.54 H new ATOM 0 HZ3 LYS A 29 17.160 -3.346 6.327 1.00 74.54 H new ATOM 434 N SER A 30 12.516 -7.996 10.135 1.00 4.34 N ATOM 435 CA SER A 30 12.676 -8.716 11.393 1.00 61.31 C ATOM 436 C SER A 30 11.842 -9.994 11.396 1.00 14.02 C ATOM 437 O SER A 30 12.275 -11.031 11.898 1.00 21.23 O ATOM 438 CB SER A 30 12.272 -7.827 12.570 1.00 51.22 C ATOM 439 OG SER A 30 12.372 -8.528 13.797 1.00 51.41 O ATOM 0 H SER A 30 11.836 -7.236 10.167 1.00 4.34 H new ATOM 0 HA SER A 30 13.727 -8.987 11.497 1.00 61.31 H new ATOM 0 HB2 SER A 30 12.911 -6.944 12.599 1.00 51.22 H new ATOM 0 HB3 SER A 30 11.250 -7.476 12.430 1.00 51.22 H new ATOM 0 HG SER A 30 12.110 -7.937 14.534 1.00 51.41 H new ATOM 445 N LYS A 31 10.642 -9.910 10.833 1.00 35.53 N ATOM 446 CA LYS A 31 9.745 -11.059 10.769 1.00 72.03 C ATOM 447 C LYS A 31 10.236 -12.076 9.745 1.00 63.52 C ATOM 448 O LYS A 31 9.799 -13.226 9.740 1.00 21.32 O ATOM 449 CB LYS A 31 8.327 -10.606 10.413 1.00 13.32 C ATOM 450 CG LYS A 31 7.449 -10.345 11.626 1.00 63.24 C ATOM 451 CD LYS A 31 7.123 -11.632 12.364 1.00 11.02 C ATOM 452 CE LYS A 31 5.633 -11.938 12.318 1.00 23.55 C ATOM 453 NZ LYS A 31 5.364 -13.399 12.428 1.00 14.33 N ATOM 0 H LYS A 31 10.267 -9.059 10.414 1.00 35.53 H new ATOM 0 HA LYS A 31 9.733 -11.534 11.750 1.00 72.03 H new ATOM 0 HB2 LYS A 31 8.385 -9.697 9.814 1.00 13.32 H new ATOM 0 HB3 LYS A 31 7.856 -11.368 9.791 1.00 13.32 H new ATOM 0 HG2 LYS A 31 7.955 -9.655 12.301 1.00 63.24 H new ATOM 0 HG3 LYS A 31 6.525 -9.861 11.310 1.00 63.24 H new ATOM 0 HD2 LYS A 31 7.679 -12.458 11.921 1.00 11.02 H new ATOM 0 HD3 LYS A 31 7.447 -11.550 13.401 1.00 11.02 H new ATOM 0 HE2 LYS A 31 5.129 -11.414 13.130 1.00 23.55 H new ATOM 0 HE3 LYS A 31 5.213 -11.560 11.386 1.00 23.55 H new ATOM 0 HZ1 LYS A 31 4.338 -13.567 12.393 1.00 14.33 H new ATOM 0 HZ2 LYS A 31 5.824 -13.897 11.639 1.00 14.33 H new ATOM 0 HZ3 LYS A 31 5.742 -13.755 13.329 1.00 14.33 H new ATOM 467 N ASN A 32 11.148 -11.645 8.879 1.00 73.41 N ATOM 468 CA ASN A 32 11.699 -12.520 7.850 1.00 2.44 C ATOM 469 C ASN A 32 10.615 -12.957 6.870 1.00 1.30 C ATOM 470 O ASN A 32 10.418 -14.151 6.639 1.00 52.20 O ATOM 471 CB ASN A 32 12.349 -13.748 8.491 1.00 1.34 C ATOM 472 CG ASN A 32 13.161 -13.396 9.723 1.00 22.53 C ATOM 473 OD1 ASN A 32 14.124 -12.633 9.649 1.00 61.54 O ATOM 474 ND2 ASN A 32 12.774 -13.954 10.865 1.00 4.21 N ATOM 0 H ASN A 32 11.521 -10.696 8.869 1.00 73.41 H new ATOM 0 HA ASN A 32 12.456 -11.962 7.300 1.00 2.44 H new ATOM 0 HB2 ASN A 32 11.575 -14.465 8.762 1.00 1.34 H new ATOM 0 HB3 ASN A 32 12.995 -14.237 7.761 1.00 1.34 H new ATOM 0 HD21 ASN A 32 13.281 -13.756 11.727 1.00 4.21 H new ATOM 0 HD22 ASN A 32 11.969 -14.581 10.879 1.00 4.21 H new ATOM 481 N ILE A 33 9.917 -11.984 6.297 1.00 52.25 N ATOM 482 CA ILE A 33 8.854 -12.268 5.339 1.00 4.30 C ATOM 483 C ILE A 33 9.256 -11.844 3.930 1.00 12.34 C ATOM 484 O ILE A 33 9.932 -10.833 3.745 1.00 62.04 O ATOM 485 CB ILE A 33 7.545 -11.556 5.725 1.00 51.01 C ATOM 486 CG1 ILE A 33 7.093 -11.991 7.121 1.00 64.04 C ATOM 487 CG2 ILE A 33 6.461 -11.847 4.697 1.00 40.02 C ATOM 488 CD1 ILE A 33 6.116 -11.033 7.765 1.00 24.34 C ATOM 0 H ILE A 33 10.067 -10.992 6.479 1.00 52.25 H new ATOM 0 HA ILE A 33 8.691 -13.346 5.358 1.00 4.30 H new ATOM 0 HB ILE A 33 7.725 -10.481 5.741 1.00 51.01 H new ATOM 0 HG12 ILE A 33 6.633 -12.977 7.054 1.00 64.04 H new ATOM 0 HG13 ILE A 33 7.968 -12.091 7.763 1.00 64.04 H new ATOM 0 HG21 ILE A 33 5.541 -11.337 4.984 1.00 40.02 H new ATOM 0 HG22 ILE A 33 6.783 -11.492 3.718 1.00 40.02 H new ATOM 0 HG23 ILE A 33 6.281 -12.921 4.652 1.00 40.02 H new ATOM 0 HD11 ILE A 33 5.839 -11.404 8.752 1.00 24.34 H new ATOM 0 HD12 ILE A 33 6.580 -10.052 7.864 1.00 24.34 H new ATOM 0 HD13 ILE A 33 5.224 -10.951 7.144 1.00 24.34 H new ATOM 500 N ASN A 34 8.831 -12.622 2.940 1.00 5.24 N ATOM 501 CA ASN A 34 9.144 -12.326 1.547 1.00 64.20 C ATOM 502 C ASN A 34 8.199 -11.267 0.990 1.00 52.20 C ATOM 503 O ASN A 34 7.217 -11.588 0.321 1.00 13.22 O ATOM 504 CB ASN A 34 9.058 -13.599 0.702 1.00 63.10 C ATOM 505 CG ASN A 34 7.784 -14.379 0.960 1.00 42.31 C ATOM 506 OD1 ASN A 34 7.573 -14.901 2.055 1.00 3.33 O ATOM 507 ND2 ASN A 34 6.927 -14.463 -0.051 1.00 5.02 N ATOM 0 H ASN A 34 8.269 -13.462 3.077 1.00 5.24 H new ATOM 0 HA ASN A 34 10.161 -11.937 1.504 1.00 64.20 H new ATOM 0 HB2 ASN A 34 9.112 -13.335 -0.354 1.00 63.10 H new ATOM 0 HB3 ASN A 34 9.919 -14.233 0.916 1.00 63.10 H new ATOM 0 HD21 ASN A 34 6.053 -14.976 0.063 1.00 5.02 H new ATOM 0 HD22 ASN A 34 7.143 -14.015 -0.941 1.00 5.02 H new ATOM 514 N ALA A 35 8.502 -10.004 1.271 1.00 40.24 N ATOM 515 CA ALA A 35 7.681 -8.897 0.795 1.00 72.22 C ATOM 516 C ALA A 35 8.512 -7.631 0.624 1.00 1.13 C ATOM 517 O ALA A 35 9.640 -7.544 1.112 1.00 24.20 O ATOM 518 CB ALA A 35 6.526 -8.648 1.754 1.00 41.23 C ATOM 0 H ALA A 35 9.310 -9.722 1.826 1.00 40.24 H new ATOM 0 HA ALA A 35 7.277 -9.169 -0.180 1.00 72.22 H new ATOM 0 HB1 ALA A 35 5.921 -7.819 1.387 1.00 41.23 H new ATOM 0 HB2 ALA A 35 5.910 -9.545 1.822 1.00 41.23 H new ATOM 0 HB3 ALA A 35 6.919 -8.402 2.740 1.00 41.23 H new ATOM 524 N THR A 36 7.949 -6.648 -0.073 1.00 23.14 N ATOM 525 CA THR A 36 8.640 -5.387 -0.310 1.00 50.14 C ATOM 526 C THR A 36 7.655 -4.225 -0.380 1.00 31.15 C ATOM 527 O THR A 36 6.534 -4.379 -0.868 1.00 3.41 O ATOM 528 CB THR A 36 9.457 -5.430 -1.615 1.00 1.01 C ATOM 529 OG1 THR A 36 10.094 -4.167 -1.836 1.00 75.32 O ATOM 530 CG2 THR A 36 8.566 -5.770 -2.800 1.00 63.52 C ATOM 0 H THR A 36 7.017 -6.702 -0.483 1.00 23.14 H new ATOM 0 HA THR A 36 9.318 -5.236 0.530 1.00 50.14 H new ATOM 0 HB THR A 36 10.216 -6.206 -1.518 1.00 1.01 H new ATOM 0 HG1 THR A 36 10.613 -4.203 -2.667 1.00 75.32 H new ATOM 0 HG21 THR A 36 9.165 -5.795 -3.710 1.00 63.52 H new ATOM 0 HG22 THR A 36 8.106 -6.746 -2.642 1.00 63.52 H new ATOM 0 HG23 THR A 36 7.787 -5.014 -2.898 1.00 63.52 H new ATOM 538 N ILE A 37 8.078 -3.066 0.111 1.00 70.34 N ATOM 539 CA ILE A 37 7.233 -1.878 0.102 1.00 32.43 C ATOM 540 C ILE A 37 7.926 -0.715 -0.599 1.00 5.02 C ATOM 541 O ILE A 37 9.138 -0.538 -0.477 1.00 54.12 O ATOM 542 CB ILE A 37 6.852 -1.448 1.531 1.00 33.24 C ATOM 543 CG1 ILE A 37 5.975 -0.195 1.493 1.00 4.41 C ATOM 544 CG2 ILE A 37 8.102 -1.201 2.361 1.00 5.44 C ATOM 545 CD1 ILE A 37 4.651 -0.405 0.791 1.00 11.44 C ATOM 0 H ILE A 37 9.001 -2.924 0.520 1.00 70.34 H new ATOM 0 HA ILE A 37 6.327 -2.140 -0.444 1.00 32.43 H new ATOM 0 HB ILE A 37 6.283 -2.253 1.997 1.00 33.24 H new ATOM 0 HG12 ILE A 37 5.787 0.138 2.514 1.00 4.41 H new ATOM 0 HG13 ILE A 37 6.520 0.605 0.992 1.00 4.41 H new ATOM 0 HG21 ILE A 37 7.816 -0.898 3.368 1.00 5.44 H new ATOM 0 HG22 ILE A 37 8.692 -2.116 2.411 1.00 5.44 H new ATOM 0 HG23 ILE A 37 8.695 -0.412 1.899 1.00 5.44 H new ATOM 0 HD11 ILE A 37 4.082 0.525 0.802 1.00 11.44 H new ATOM 0 HD12 ILE A 37 4.830 -0.709 -0.240 1.00 11.44 H new ATOM 0 HD13 ILE A 37 4.086 -1.183 1.305 1.00 11.44 H new ATOM 557 N GLU A 38 7.148 0.075 -1.331 1.00 52.24 N ATOM 558 CA GLU A 38 7.688 1.223 -2.052 1.00 43.31 C ATOM 559 C GLU A 38 6.637 2.321 -2.191 1.00 61.10 C ATOM 560 O GLU A 38 5.492 2.057 -2.555 1.00 71.33 O ATOM 561 CB GLU A 38 8.184 0.798 -3.435 1.00 63.32 C ATOM 562 CG GLU A 38 9.005 1.863 -4.142 1.00 4.10 C ATOM 563 CD GLU A 38 10.475 1.808 -3.771 1.00 14.42 C ATOM 564 OE1 GLU A 38 10.780 1.746 -2.562 1.00 34.24 O ATOM 565 OE2 GLU A 38 11.319 1.829 -4.691 1.00 72.20 O ATOM 0 H GLU A 38 6.143 -0.058 -1.441 1.00 52.24 H new ATOM 0 HA GLU A 38 8.527 1.618 -1.479 1.00 43.31 H new ATOM 0 HB2 GLU A 38 8.786 -0.105 -3.334 1.00 63.32 H new ATOM 0 HB3 GLU A 38 7.326 0.541 -4.056 1.00 63.32 H new ATOM 0 HG2 GLU A 38 8.901 1.740 -5.220 1.00 4.10 H new ATOM 0 HG3 GLU A 38 8.608 2.847 -3.894 1.00 4.10 H new ATOM 572 N ALA A 39 7.037 3.554 -1.898 1.00 31.15 N ATOM 573 CA ALA A 39 6.131 4.692 -1.991 1.00 3.41 C ATOM 574 C ALA A 39 6.509 5.601 -3.157 1.00 64.34 C ATOM 575 O ALA A 39 7.661 6.019 -3.282 1.00 22.14 O ATOM 576 CB ALA A 39 6.133 5.476 -0.688 1.00 3.53 C ATOM 0 H ALA A 39 7.982 3.790 -1.594 1.00 31.15 H new ATOM 0 HA ALA A 39 5.126 4.311 -2.172 1.00 3.41 H new ATOM 0 HB1 ALA A 39 5.452 6.323 -0.772 1.00 3.53 H new ATOM 0 HB2 ALA A 39 5.808 4.829 0.127 1.00 3.53 H new ATOM 0 HB3 ALA A 39 7.140 5.839 -0.483 1.00 3.53 H new ATOM 582 N ILE A 40 5.534 5.899 -4.009 1.00 2.31 N ATOM 583 CA ILE A 40 5.766 6.757 -5.163 1.00 60.04 C ATOM 584 C ILE A 40 4.615 7.738 -5.360 1.00 21.13 C ATOM 585 O ILE A 40 3.672 7.771 -4.569 1.00 74.32 O ATOM 586 CB ILE A 40 5.946 5.932 -6.451 1.00 23.31 C ATOM 587 CG1 ILE A 40 4.740 5.016 -6.668 1.00 72.23 C ATOM 588 CG2 ILE A 40 7.230 5.119 -6.384 1.00 20.44 C ATOM 589 CD1 ILE A 40 4.048 5.233 -7.997 1.00 21.35 C ATOM 0 H ILE A 40 4.576 5.559 -3.921 1.00 2.31 H new ATOM 0 HA ILE A 40 6.683 7.311 -4.964 1.00 60.04 H new ATOM 0 HB ILE A 40 6.016 6.616 -7.297 1.00 23.31 H new ATOM 0 HG12 ILE A 40 5.066 3.978 -6.602 1.00 72.23 H new ATOM 0 HG13 ILE A 40 4.022 5.176 -5.863 1.00 72.23 H new ATOM 0 HG21 ILE A 40 7.343 4.541 -7.301 1.00 20.44 H new ATOM 0 HG22 ILE A 40 8.081 5.791 -6.271 1.00 20.44 H new ATOM 0 HG23 ILE A 40 7.187 4.441 -5.531 1.00 20.44 H new ATOM 0 HD11 ILE A 40 3.203 4.550 -8.083 1.00 21.35 H new ATOM 0 HD12 ILE A 40 3.691 6.261 -8.058 1.00 21.35 H new ATOM 0 HD13 ILE A 40 4.751 5.044 -8.808 1.00 21.35 H new ATOM 601 N ALA A 41 4.698 8.536 -6.419 1.00 1.31 N ATOM 602 CA ALA A 41 3.662 9.515 -6.721 1.00 14.02 C ATOM 603 C ALA A 41 2.555 8.899 -7.570 1.00 44.20 C ATOM 604 O ALA A 41 2.549 7.694 -7.817 1.00 75.42 O ATOM 605 CB ALA A 41 4.264 10.719 -7.430 1.00 3.51 C ATOM 0 H ALA A 41 5.473 8.524 -7.082 1.00 1.31 H new ATOM 0 HA ALA A 41 3.222 9.844 -5.779 1.00 14.02 H new ATOM 0 HB1 ALA A 41 3.479 11.442 -7.650 1.00 3.51 H new ATOM 0 HB2 ALA A 41 5.014 11.181 -6.789 1.00 3.51 H new ATOM 0 HB3 ALA A 41 4.731 10.397 -8.361 1.00 3.51 H new ATOM 611 N GLU A 42 1.620 9.734 -8.012 1.00 43.31 N ATOM 612 CA GLU A 42 0.507 9.269 -8.832 1.00 4.41 C ATOM 613 C GLU A 42 0.901 9.217 -10.305 1.00 5.21 C ATOM 614 O GLU A 42 0.273 8.522 -11.105 1.00 3.11 O ATOM 615 CB GLU A 42 -0.707 10.183 -8.650 1.00 43.43 C ATOM 616 CG GLU A 42 -0.480 11.602 -9.144 1.00 63.23 C ATOM 617 CD GLU A 42 -1.265 11.915 -10.403 1.00 24.32 C ATOM 618 OE1 GLU A 42 -1.524 10.978 -11.188 1.00 24.35 O ATOM 619 OE2 GLU A 42 -1.620 13.095 -10.604 1.00 73.31 O ATOM 0 H GLU A 42 1.611 10.735 -7.816 1.00 43.31 H new ATOM 0 HA GLU A 42 0.246 8.262 -8.507 1.00 4.41 H new ATOM 0 HB2 GLU A 42 -1.557 9.754 -9.181 1.00 43.43 H new ATOM 0 HB3 GLU A 42 -0.973 10.213 -7.593 1.00 43.43 H new ATOM 0 HG2 GLU A 42 -0.762 12.305 -8.360 1.00 63.23 H new ATOM 0 HG3 GLU A 42 0.583 11.750 -9.337 1.00 63.23 H new ATOM 626 N THR A 43 1.948 9.957 -10.658 1.00 41.53 N ATOM 627 CA THR A 43 2.427 9.998 -12.034 1.00 74.33 C ATOM 628 C THR A 43 2.936 8.632 -12.480 1.00 32.24 C ATOM 629 O THR A 43 2.732 8.225 -13.624 1.00 10.52 O ATOM 630 CB THR A 43 3.552 11.034 -12.208 1.00 42.34 C ATOM 631 OG1 THR A 43 4.022 11.025 -13.561 1.00 12.41 O ATOM 632 CG2 THR A 43 4.707 10.742 -11.262 1.00 62.51 C ATOM 0 H THR A 43 2.481 10.536 -10.009 1.00 41.53 H new ATOM 0 HA THR A 43 1.579 10.287 -12.654 1.00 74.33 H new ATOM 0 HB THR A 43 3.149 12.019 -11.971 1.00 42.34 H new ATOM 0 HG1 THR A 43 4.736 11.688 -13.664 1.00 12.41 H new ATOM 0 HG21 THR A 43 5.490 11.487 -11.403 1.00 62.51 H new ATOM 0 HG22 THR A 43 4.352 10.779 -10.232 1.00 62.51 H new ATOM 0 HG23 THR A 43 5.108 9.750 -11.472 1.00 62.51 H new ATOM 640 N ARG A 44 3.599 7.926 -11.569 1.00 15.30 N ATOM 641 CA ARG A 44 4.138 6.605 -11.868 1.00 40.42 C ATOM 642 C ARG A 44 3.229 5.510 -11.318 1.00 43.53 C ATOM 643 O ARG A 44 3.477 4.321 -11.523 1.00 22.21 O ATOM 644 CB ARG A 44 5.543 6.460 -11.282 1.00 35.30 C ATOM 645 CG ARG A 44 6.587 7.314 -11.983 1.00 63.51 C ATOM 646 CD ARG A 44 7.413 8.113 -10.988 1.00 55.22 C ATOM 647 NE ARG A 44 7.850 9.391 -11.541 1.00 45.43 N ATOM 648 CZ ARG A 44 8.831 9.511 -12.429 1.00 61.41 C ATOM 649 NH1 ARG A 44 9.474 8.434 -12.861 1.00 14.33 N ATOM 650 NH2 ARG A 44 9.172 10.709 -12.887 1.00 15.34 N ATOM 0 H ARG A 44 3.776 8.248 -10.617 1.00 15.30 H new ATOM 0 HA ARG A 44 4.191 6.498 -12.951 1.00 40.42 H new ATOM 0 HB2 ARG A 44 5.516 6.728 -10.226 1.00 35.30 H new ATOM 0 HB3 ARG A 44 5.845 5.414 -11.338 1.00 35.30 H new ATOM 0 HG2 ARG A 44 7.244 6.675 -12.573 1.00 63.51 H new ATOM 0 HG3 ARG A 44 6.095 7.994 -12.678 1.00 63.51 H new ATOM 0 HD2 ARG A 44 6.824 8.290 -10.088 1.00 55.22 H new ATOM 0 HD3 ARG A 44 8.284 7.530 -10.690 1.00 55.22 H new ATOM 0 HE ARG A 44 7.376 10.239 -11.229 1.00 45.43 H new ATOM 0 HH11 ARG A 44 9.216 7.511 -12.511 1.00 14.33 H new ATOM 0 HH12 ARG A 44 10.227 8.529 -13.543 1.00 14.33 H new ATOM 0 HH21 ARG A 44 8.681 11.540 -12.557 1.00 15.34 H new ATOM 0 HH22 ARG A 44 9.925 10.799 -13.569 1.00 15.34 H new ATOM 664 N LEU A 45 2.177 5.918 -10.618 1.00 55.25 N ATOM 665 CA LEU A 45 1.230 4.971 -10.038 1.00 4.31 C ATOM 666 C LEU A 45 0.731 3.986 -11.090 1.00 11.12 C ATOM 667 O LEU A 45 0.797 2.772 -10.898 1.00 55.41 O ATOM 668 CB LEU A 45 0.047 5.717 -9.418 1.00 55.32 C ATOM 669 CG LEU A 45 -1.116 4.850 -8.937 1.00 71.14 C ATOM 670 CD1 LEU A 45 -0.799 4.234 -7.584 1.00 4.13 C ATOM 671 CD2 LEU A 45 -2.398 5.668 -8.865 1.00 31.21 C ATOM 0 H LEU A 45 1.958 6.898 -10.438 1.00 55.25 H new ATOM 0 HA LEU A 45 1.746 4.410 -9.259 1.00 4.31 H new ATOM 0 HB2 LEU A 45 0.413 6.299 -8.573 1.00 55.32 H new ATOM 0 HB3 LEU A 45 -0.334 6.426 -10.152 1.00 55.32 H new ATOM 0 HG LEU A 45 -1.263 4.043 -9.655 1.00 71.14 H new ATOM 0 HD11 LEU A 45 -1.639 3.620 -7.258 1.00 4.13 H new ATOM 0 HD12 LEU A 45 0.093 3.614 -7.667 1.00 4.13 H new ATOM 0 HD13 LEU A 45 -0.624 5.026 -6.856 1.00 4.13 H new ATOM 0 HD21 LEU A 45 -3.215 5.034 -8.521 1.00 31.21 H new ATOM 0 HD22 LEU A 45 -2.263 6.496 -8.169 1.00 31.21 H new ATOM 0 HD23 LEU A 45 -2.635 6.061 -9.854 1.00 31.21 H new ATOM 683 N SER A 46 0.233 4.518 -12.202 1.00 30.25 N ATOM 684 CA SER A 46 -0.279 3.685 -13.284 1.00 51.21 C ATOM 685 C SER A 46 0.861 2.975 -14.009 1.00 14.10 C ATOM 686 O SER A 46 0.629 2.098 -14.839 1.00 61.23 O ATOM 687 CB SER A 46 -1.079 4.534 -14.274 1.00 2.23 C ATOM 688 OG SER A 46 -0.249 5.024 -15.312 1.00 3.31 O ATOM 0 H SER A 46 0.173 5.521 -12.377 1.00 30.25 H new ATOM 0 HA SER A 46 -0.935 2.931 -12.850 1.00 51.21 H new ATOM 0 HB2 SER A 46 -1.886 3.938 -14.700 1.00 2.23 H new ATOM 0 HB3 SER A 46 -1.543 5.370 -13.750 1.00 2.23 H new ATOM 0 HG SER A 46 -0.784 5.562 -15.932 1.00 3.31 H new ATOM 694 N GLU A 47 2.090 3.363 -13.688 1.00 3.31 N ATOM 695 CA GLU A 47 3.266 2.765 -14.310 1.00 10.55 C ATOM 696 C GLU A 47 3.922 1.756 -13.373 1.00 23.21 C ATOM 697 O GLU A 47 4.904 1.105 -13.732 1.00 53.30 O ATOM 698 CB GLU A 47 4.274 3.850 -14.695 1.00 72.32 C ATOM 699 CG GLU A 47 4.235 4.223 -16.168 1.00 33.22 C ATOM 700 CD GLU A 47 5.545 3.941 -16.876 1.00 64.31 C ATOM 701 OE1 GLU A 47 6.027 2.791 -16.799 1.00 61.23 O ATOM 702 OE2 GLU A 47 6.089 4.871 -17.508 1.00 61.35 O ATOM 0 H GLU A 47 2.298 4.088 -13.002 1.00 3.31 H new ATOM 0 HA GLU A 47 2.943 2.243 -15.211 1.00 10.55 H new ATOM 0 HB2 GLU A 47 4.081 4.741 -14.098 1.00 72.32 H new ATOM 0 HB3 GLU A 47 5.278 3.508 -14.442 1.00 72.32 H new ATOM 0 HG2 GLU A 47 3.435 3.669 -16.658 1.00 33.22 H new ATOM 0 HG3 GLU A 47 3.995 5.282 -16.265 1.00 33.22 H new ATOM 709 N VAL A 48 3.373 1.630 -12.169 1.00 60.11 N ATOM 710 CA VAL A 48 3.903 0.700 -11.179 1.00 42.12 C ATOM 711 C VAL A 48 2.842 -0.303 -10.742 1.00 53.51 C ATOM 712 O VAL A 48 3.149 -1.453 -10.428 1.00 51.44 O ATOM 713 CB VAL A 48 4.435 1.442 -9.939 1.00 45.31 C ATOM 714 CG1 VAL A 48 5.523 2.429 -10.333 1.00 3.13 C ATOM 715 CG2 VAL A 48 3.299 2.149 -9.215 1.00 24.15 C ATOM 0 H VAL A 48 2.560 2.161 -11.855 1.00 60.11 H new ATOM 0 HA VAL A 48 4.726 0.168 -11.655 1.00 42.12 H new ATOM 0 HB VAL A 48 4.871 0.711 -9.258 1.00 45.31 H new ATOM 0 HG11 VAL A 48 5.887 2.944 -9.444 1.00 3.13 H new ATOM 0 HG12 VAL A 48 6.347 1.893 -10.805 1.00 3.13 H new ATOM 0 HG13 VAL A 48 5.116 3.158 -11.034 1.00 3.13 H new ATOM 0 HG21 VAL A 48 3.692 2.668 -8.341 1.00 24.15 H new ATOM 0 HG22 VAL A 48 2.833 2.870 -9.886 1.00 24.15 H new ATOM 0 HG23 VAL A 48 2.557 1.416 -8.898 1.00 24.15 H new ATOM 725 N VAL A 49 1.589 0.142 -10.724 1.00 71.02 N ATOM 726 CA VAL A 49 0.479 -0.717 -10.328 1.00 13.54 C ATOM 727 C VAL A 49 0.248 -1.824 -11.349 1.00 71.51 C ATOM 728 O VAL A 49 -0.481 -2.781 -11.088 1.00 32.40 O ATOM 729 CB VAL A 49 -0.823 0.090 -10.159 1.00 22.01 C ATOM 730 CG1 VAL A 49 -0.673 1.118 -9.047 1.00 33.22 C ATOM 731 CG2 VAL A 49 -1.206 0.761 -11.469 1.00 2.31 C ATOM 0 H VAL A 49 1.318 1.092 -10.979 1.00 71.02 H new ATOM 0 HA VAL A 49 0.750 -1.161 -9.370 1.00 13.54 H new ATOM 0 HB VAL A 49 -1.623 -0.596 -9.881 1.00 22.01 H new ATOM 0 HG11 VAL A 49 -1.602 1.678 -8.942 1.00 33.22 H new ATOM 0 HG12 VAL A 49 -0.448 0.610 -8.109 1.00 33.22 H new ATOM 0 HG13 VAL A 49 0.138 1.803 -9.292 1.00 33.22 H new ATOM 0 HG21 VAL A 49 -2.128 1.327 -11.332 1.00 2.31 H new ATOM 0 HG22 VAL A 49 -0.408 1.436 -11.779 1.00 2.31 H new ATOM 0 HG23 VAL A 49 -1.357 0.002 -12.236 1.00 2.31 H new ATOM 741 N ASP A 50 0.874 -1.688 -12.513 1.00 25.51 N ATOM 742 CA ASP A 50 0.738 -2.679 -13.574 1.00 42.02 C ATOM 743 C ASP A 50 1.498 -3.956 -13.227 1.00 41.30 C ATOM 744 O ASP A 50 1.230 -5.020 -13.784 1.00 73.41 O ATOM 745 CB ASP A 50 1.250 -2.111 -14.899 1.00 71.24 C ATOM 746 CG ASP A 50 0.550 -2.719 -16.099 1.00 33.25 C ATOM 747 OD1 ASP A 50 -0.046 -3.806 -15.949 1.00 32.41 O ATOM 748 OD2 ASP A 50 0.599 -2.109 -17.187 1.00 14.11 O ATOM 0 H ASP A 50 1.480 -0.901 -12.746 1.00 25.51 H new ATOM 0 HA ASP A 50 -0.319 -2.923 -13.676 1.00 42.02 H new ATOM 0 HB2 ASP A 50 1.107 -1.031 -14.907 1.00 71.24 H new ATOM 0 HB3 ASP A 50 2.322 -2.291 -14.978 1.00 71.24 H new ATOM 753 N ARG A 51 2.448 -3.840 -12.303 1.00 75.53 N ATOM 754 CA ARG A 51 3.248 -4.985 -11.884 1.00 11.34 C ATOM 755 C ARG A 51 3.063 -5.259 -10.394 1.00 20.25 C ATOM 756 O ARG A 51 3.095 -6.409 -9.955 1.00 71.34 O ATOM 757 CB ARG A 51 4.726 -4.739 -12.189 1.00 31.42 C ATOM 758 CG ARG A 51 4.977 -4.189 -13.584 1.00 23.14 C ATOM 759 CD ARG A 51 6.454 -4.241 -13.945 1.00 53.22 C ATOM 760 NE ARG A 51 6.884 -3.041 -14.656 1.00 4.33 N ATOM 761 CZ ARG A 51 6.506 -2.743 -15.895 1.00 32.25 C ATOM 762 NH1 ARG A 51 5.692 -3.555 -16.555 1.00 21.14 N ATOM 763 NH2 ARG A 51 6.941 -1.632 -16.473 1.00 71.24 N ATOM 0 H ARG A 51 2.682 -2.966 -11.832 1.00 75.53 H new ATOM 0 HA ARG A 51 2.910 -5.858 -12.442 1.00 11.34 H new ATOM 0 HB2 ARG A 51 5.128 -4.041 -11.455 1.00 31.42 H new ATOM 0 HB3 ARG A 51 5.273 -5.675 -12.073 1.00 31.42 H new ATOM 0 HG2 ARG A 51 4.403 -4.763 -14.311 1.00 23.14 H new ATOM 0 HG3 ARG A 51 4.624 -3.159 -13.640 1.00 23.14 H new ATOM 0 HD2 ARG A 51 7.046 -4.356 -13.037 1.00 53.22 H new ATOM 0 HD3 ARG A 51 6.646 -5.118 -14.564 1.00 53.22 H new ATOM 0 HE ARG A 51 7.510 -2.395 -14.175 1.00 4.33 H new ATOM 0 HH11 ARG A 51 5.355 -4.410 -16.112 1.00 21.14 H new ATOM 0 HH12 ARG A 51 5.403 -3.325 -17.506 1.00 21.14 H new ATOM 0 HH21 ARG A 51 7.566 -1.005 -15.967 1.00 71.24 H new ATOM 0 HH22 ARG A 51 6.650 -1.404 -17.424 1.00 71.24 H new ATOM 777 N PHE A 52 2.871 -4.196 -9.621 1.00 2.11 N ATOM 778 CA PHE A 52 2.684 -4.321 -8.180 1.00 64.52 C ATOM 779 C PHE A 52 1.524 -5.261 -7.862 1.00 62.32 C ATOM 780 O PHE A 52 0.846 -5.754 -8.764 1.00 13.51 O ATOM 781 CB PHE A 52 2.428 -2.949 -7.555 1.00 41.55 C ATOM 782 CG PHE A 52 3.665 -2.302 -7.001 1.00 23.42 C ATOM 783 CD1 PHE A 52 4.366 -2.894 -5.962 1.00 72.14 C ATOM 784 CD2 PHE A 52 4.128 -1.103 -7.518 1.00 51.11 C ATOM 785 CE1 PHE A 52 5.504 -2.301 -5.449 1.00 60.40 C ATOM 786 CE2 PHE A 52 5.266 -0.506 -7.009 1.00 41.31 C ATOM 787 CZ PHE A 52 5.955 -1.106 -5.974 1.00 31.52 C ATOM 0 H PHE A 52 2.841 -3.237 -9.968 1.00 2.11 H new ATOM 0 HA PHE A 52 3.597 -4.740 -7.756 1.00 64.52 H new ATOM 0 HB2 PHE A 52 1.990 -2.292 -8.307 1.00 41.55 H new ATOM 0 HB3 PHE A 52 1.694 -3.054 -6.756 1.00 41.55 H new ATOM 0 HD1 PHE A 52 4.019 -3.829 -5.549 1.00 72.14 H new ATOM 0 HD2 PHE A 52 3.594 -0.629 -8.328 1.00 51.11 H new ATOM 0 HE1 PHE A 52 6.040 -2.772 -4.638 1.00 60.40 H new ATOM 0 HE2 PHE A 52 5.616 0.429 -7.421 1.00 41.31 H new ATOM 0 HZ PHE A 52 6.845 -0.642 -5.576 1.00 31.52 H new ATOM 797 N ASP A 53 1.304 -5.505 -6.575 1.00 60.35 N ATOM 798 CA ASP A 53 0.227 -6.385 -6.138 1.00 30.35 C ATOM 799 C ASP A 53 -0.891 -5.587 -5.475 1.00 21.41 C ATOM 800 O ASP A 53 -2.026 -5.575 -5.951 1.00 41.44 O ATOM 801 CB ASP A 53 0.763 -7.439 -5.167 1.00 52.43 C ATOM 802 CG ASP A 53 1.343 -8.643 -5.883 1.00 32.34 C ATOM 803 OD1 ASP A 53 1.221 -8.712 -7.123 1.00 73.45 O ATOM 804 OD2 ASP A 53 1.919 -9.518 -5.202 1.00 3.24 O ATOM 0 H ASP A 53 1.857 -5.106 -5.816 1.00 60.35 H new ATOM 0 HA ASP A 53 -0.180 -6.885 -7.017 1.00 30.35 H new ATOM 0 HB2 ASP A 53 1.530 -6.991 -4.536 1.00 52.43 H new ATOM 0 HB3 ASP A 53 -0.042 -7.765 -4.508 1.00 52.43 H new ATOM 809 N VAL A 54 -0.562 -4.922 -4.371 1.00 34.11 N ATOM 810 CA VAL A 54 -1.539 -4.122 -3.642 1.00 51.20 C ATOM 811 C VAL A 54 -1.261 -2.631 -3.807 1.00 62.43 C ATOM 812 O VAL A 54 -0.108 -2.211 -3.905 1.00 24.31 O ATOM 813 CB VAL A 54 -1.541 -4.468 -2.142 1.00 35.40 C ATOM 814 CG1 VAL A 54 -2.209 -5.815 -1.906 1.00 34.33 C ATOM 815 CG2 VAL A 54 -0.123 -4.464 -1.592 1.00 32.10 C ATOM 0 H VAL A 54 0.373 -4.922 -3.963 1.00 34.11 H new ATOM 0 HA VAL A 54 -2.517 -4.356 -4.063 1.00 51.20 H new ATOM 0 HB VAL A 54 -2.114 -3.707 -1.612 1.00 35.40 H new ATOM 0 HG11 VAL A 54 -2.201 -6.043 -0.840 1.00 34.33 H new ATOM 0 HG12 VAL A 54 -3.239 -5.778 -2.262 1.00 34.33 H new ATOM 0 HG13 VAL A 54 -1.666 -6.590 -2.447 1.00 34.33 H new ATOM 0 HG21 VAL A 54 -0.144 -4.711 -0.530 1.00 32.10 H new ATOM 0 HG22 VAL A 54 0.476 -5.203 -2.125 1.00 32.10 H new ATOM 0 HG23 VAL A 54 0.317 -3.476 -1.726 1.00 32.10 H new ATOM 825 N VAL A 55 -2.325 -1.837 -3.839 1.00 13.13 N ATOM 826 CA VAL A 55 -2.197 -0.392 -3.991 1.00 62.22 C ATOM 827 C VAL A 55 -2.864 0.344 -2.834 1.00 65.44 C ATOM 828 O VAL A 55 -4.087 0.487 -2.799 1.00 10.34 O ATOM 829 CB VAL A 55 -2.815 0.090 -5.317 1.00 14.35 C ATOM 830 CG1 VAL A 55 -2.536 1.570 -5.529 1.00 12.12 C ATOM 831 CG2 VAL A 55 -2.286 -0.733 -6.482 1.00 4.15 C ATOM 0 H VAL A 55 -3.286 -2.169 -3.762 1.00 13.13 H new ATOM 0 HA VAL A 55 -1.130 -0.167 -3.993 1.00 62.22 H new ATOM 0 HB VAL A 55 -3.895 -0.048 -5.266 1.00 14.35 H new ATOM 0 HG11 VAL A 55 -2.980 1.893 -6.471 1.00 12.12 H new ATOM 0 HG12 VAL A 55 -2.968 2.143 -4.709 1.00 12.12 H new ATOM 0 HG13 VAL A 55 -1.459 1.737 -5.560 1.00 12.12 H new ATOM 0 HG21 VAL A 55 -2.733 -0.379 -7.411 1.00 4.15 H new ATOM 0 HG22 VAL A 55 -1.202 -0.629 -6.538 1.00 4.15 H new ATOM 0 HG23 VAL A 55 -2.543 -1.782 -6.333 1.00 4.15 H new ATOM 841 N LEU A 56 -2.053 0.809 -1.890 1.00 61.30 N ATOM 842 CA LEU A 56 -2.564 1.532 -0.731 1.00 33.42 C ATOM 843 C LEU A 56 -2.322 3.030 -0.874 1.00 4.33 C ATOM 844 O LEU A 56 -1.213 3.463 -1.188 1.00 4.54 O ATOM 845 CB LEU A 56 -1.903 1.016 0.549 1.00 73.11 C ATOM 846 CG LEU A 56 -1.863 -0.504 0.718 1.00 51.30 C ATOM 847 CD1 LEU A 56 -1.606 -0.872 2.171 1.00 15.10 C ATOM 848 CD2 LEU A 56 -3.161 -1.129 0.228 1.00 0.35 C ATOM 0 H LEU A 56 -1.039 0.698 -1.905 1.00 61.30 H new ATOM 0 HA LEU A 56 -3.639 1.361 -0.672 1.00 33.42 H new ATOM 0 HB2 LEU A 56 -0.881 1.392 0.583 1.00 73.11 H new ATOM 0 HB3 LEU A 56 -2.429 1.443 1.403 1.00 73.11 H new ATOM 0 HG LEU A 56 -1.044 -0.897 0.115 1.00 51.30 H new ATOM 0 HD11 LEU A 56 -1.581 -1.957 2.273 1.00 15.10 H new ATOM 0 HD12 LEU A 56 -0.650 -0.456 2.488 1.00 15.10 H new ATOM 0 HD13 LEU A 56 -2.403 -0.468 2.795 1.00 15.10 H new ATOM 0 HD21 LEU A 56 -3.115 -2.211 0.356 1.00 0.35 H new ATOM 0 HD22 LEU A 56 -3.997 -0.731 0.804 1.00 0.35 H new ATOM 0 HD23 LEU A 56 -3.303 -0.894 -0.827 1.00 0.35 H new ATOM 860 N LEU A 57 -3.365 3.819 -0.638 1.00 32.52 N ATOM 861 CA LEU A 57 -3.265 5.271 -0.738 1.00 15.04 C ATOM 862 C LEU A 57 -3.374 5.920 0.638 1.00 3.01 C ATOM 863 O LEU A 57 -4.333 5.684 1.373 1.00 42.12 O ATOM 864 CB LEU A 57 -4.359 5.815 -1.658 1.00 62.53 C ATOM 865 CG LEU A 57 -4.509 7.336 -1.696 1.00 52.13 C ATOM 866 CD1 LEU A 57 -3.395 7.961 -2.522 1.00 10.12 C ATOM 867 CD2 LEU A 57 -5.871 7.724 -2.254 1.00 11.13 C ATOM 0 H LEU A 57 -4.290 3.477 -0.376 1.00 32.52 H new ATOM 0 HA LEU A 57 -2.290 5.515 -1.159 1.00 15.04 H new ATOM 0 HB2 LEU A 57 -4.162 5.464 -2.671 1.00 62.53 H new ATOM 0 HB3 LEU A 57 -5.312 5.384 -1.351 1.00 62.53 H new ATOM 0 HG LEU A 57 -4.435 7.715 -0.677 1.00 52.13 H new ATOM 0 HD11 LEU A 57 -3.518 9.044 -2.538 1.00 10.12 H new ATOM 0 HD12 LEU A 57 -2.430 7.712 -2.080 1.00 10.12 H new ATOM 0 HD13 LEU A 57 -3.438 7.576 -3.541 1.00 10.12 H new ATOM 0 HD21 LEU A 57 -5.960 8.810 -2.274 1.00 11.13 H new ATOM 0 HD22 LEU A 57 -5.974 7.333 -3.266 1.00 11.13 H new ATOM 0 HD23 LEU A 57 -6.655 7.307 -1.622 1.00 11.13 H new ATOM 879 N ALA A 58 -2.385 6.739 0.980 1.00 52.43 N ATOM 880 CA ALA A 58 -2.372 7.426 2.265 1.00 3.22 C ATOM 881 C ALA A 58 -3.437 8.516 2.317 1.00 44.22 C ATOM 882 O ALA A 58 -3.931 8.984 1.291 1.00 21.12 O ATOM 883 CB ALA A 58 -0.995 8.017 2.533 1.00 35.04 C ATOM 0 H ALA A 58 -1.582 6.943 0.385 1.00 52.43 H new ATOM 0 HA ALA A 58 -2.600 6.696 3.041 1.00 3.22 H new ATOM 0 HB1 ALA A 58 -0.999 8.527 3.496 1.00 35.04 H new ATOM 0 HB2 ALA A 58 -0.253 7.219 2.549 1.00 35.04 H new ATOM 0 HB3 ALA A 58 -0.745 8.729 1.746 1.00 35.04 H new ATOM 889 N PRO A 59 -3.802 8.931 3.539 1.00 21.15 N ATOM 890 CA PRO A 59 -4.813 9.970 3.754 1.00 64.04 C ATOM 891 C PRO A 59 -4.325 11.350 3.324 1.00 73.10 C ATOM 892 O PRO A 59 -3.942 12.169 4.158 1.00 41.20 O ATOM 893 CB PRO A 59 -5.045 9.933 5.266 1.00 31.44 C ATOM 894 CG PRO A 59 -3.779 9.385 5.831 1.00 53.12 C ATOM 895 CD PRO A 59 -3.254 8.417 4.807 1.00 50.02 C ATOM 0 HA PRO A 59 -5.713 9.790 3.167 1.00 64.04 H new ATOM 0 HB2 PRO A 59 -5.256 10.928 5.659 1.00 31.44 H new ATOM 0 HB3 PRO A 59 -5.897 9.303 5.520 1.00 31.44 H new ATOM 0 HG2 PRO A 59 -3.059 10.181 6.020 1.00 53.12 H new ATOM 0 HG3 PRO A 59 -3.960 8.886 6.783 1.00 53.12 H new ATOM 0 HD2 PRO A 59 -2.164 8.397 4.795 1.00 50.02 H new ATOM 0 HD3 PRO A 59 -3.590 7.399 5.007 1.00 50.02 H new ATOM 903 N GLN A 60 -4.344 11.599 2.019 1.00 20.41 N ATOM 904 CA GLN A 60 -3.904 12.880 1.480 1.00 63.44 C ATOM 905 C GLN A 60 -4.144 12.949 -0.025 1.00 71.13 C ATOM 906 O GLN A 60 -3.254 12.648 -0.820 1.00 60.23 O ATOM 907 CB GLN A 60 -2.421 13.102 1.781 1.00 0.20 C ATOM 908 CG GLN A 60 -2.014 14.567 1.788 1.00 64.55 C ATOM 909 CD GLN A 60 -0.923 14.865 2.797 1.00 64.44 C ATOM 910 OE1 GLN A 60 -0.431 13.966 3.481 1.00 75.31 O ATOM 911 NE2 GLN A 60 -0.536 16.131 2.895 1.00 22.52 N ATOM 0 H GLN A 60 -4.659 10.931 1.316 1.00 20.41 H new ATOM 0 HA GLN A 60 -4.487 13.666 1.960 1.00 63.44 H new ATOM 0 HB2 GLN A 60 -2.186 12.664 2.751 1.00 0.20 H new ATOM 0 HB3 GLN A 60 -1.825 12.571 1.039 1.00 0.20 H new ATOM 0 HG2 GLN A 60 -1.670 14.849 0.793 1.00 64.55 H new ATOM 0 HG3 GLN A 60 -2.887 15.181 2.010 1.00 64.55 H new ATOM 0 HE21 GLN A 60 -0.970 16.844 2.309 1.00 22.52 H new ATOM 0 HE22 GLN A 60 0.196 16.391 3.556 1.00 22.52 H new ATOM 920 N SER A 61 -5.354 13.347 -0.408 1.00 63.14 N ATOM 921 CA SER A 61 -5.712 13.451 -1.818 1.00 12.43 C ATOM 922 C SER A 61 -7.148 13.943 -1.978 1.00 63.30 C ATOM 923 O SER A 61 -8.100 13.223 -1.675 1.00 2.23 O ATOM 924 CB SER A 61 -5.545 12.097 -2.510 1.00 43.52 C ATOM 925 OG SER A 61 -6.008 11.042 -1.685 1.00 62.34 O ATOM 0 H SER A 61 -6.101 13.602 0.237 1.00 63.14 H new ATOM 0 HA SER A 61 -5.043 14.174 -2.285 1.00 12.43 H new ATOM 0 HB2 SER A 61 -6.096 12.096 -3.451 1.00 43.52 H new ATOM 0 HB3 SER A 61 -4.495 11.937 -2.755 1.00 43.52 H new ATOM 0 HG SER A 61 -5.242 10.569 -1.298 1.00 62.34 H new ATOM 931 N ARG A 62 -7.295 15.174 -2.456 1.00 52.41 N ATOM 932 CA ARG A 62 -8.613 15.764 -2.656 1.00 32.23 C ATOM 933 C ARG A 62 -9.347 15.080 -3.805 1.00 71.43 C ATOM 934 O ARG A 62 -10.463 14.586 -3.638 1.00 43.45 O ATOM 935 CB ARG A 62 -8.488 17.263 -2.937 1.00 73.32 C ATOM 936 CG ARG A 62 -9.210 18.135 -1.924 1.00 35.12 C ATOM 937 CD ARG A 62 -8.727 19.575 -1.983 1.00 24.42 C ATOM 938 NE ARG A 62 -9.475 20.441 -1.076 1.00 3.13 N ATOM 939 CZ ARG A 62 -9.286 21.753 -0.990 1.00 53.12 C ATOM 940 NH1 ARG A 62 -8.380 22.348 -1.754 1.00 64.43 N ATOM 941 NH2 ARG A 62 -10.006 22.474 -0.140 1.00 41.33 N ATOM 0 H ARG A 62 -6.517 15.782 -2.712 1.00 52.41 H new ATOM 0 HA ARG A 62 -9.190 15.620 -1.742 1.00 32.23 H new ATOM 0 HB2 ARG A 62 -7.432 17.535 -2.951 1.00 73.32 H new ATOM 0 HB3 ARG A 62 -8.884 17.472 -3.931 1.00 73.32 H new ATOM 0 HG2 ARG A 62 -10.283 18.102 -2.113 1.00 35.12 H new ATOM 0 HG3 ARG A 62 -9.051 17.738 -0.922 1.00 35.12 H new ATOM 0 HD2 ARG A 62 -7.668 19.613 -1.729 1.00 24.42 H new ATOM 0 HD3 ARG A 62 -8.824 19.948 -3.003 1.00 24.42 H new ATOM 0 HE ARG A 62 -10.181 20.015 -0.476 1.00 3.13 H new ATOM 0 HH11 ARG A 62 -7.826 21.798 -2.410 1.00 64.43 H new ATOM 0 HH12 ARG A 62 -8.237 23.356 -1.685 1.00 64.43 H new ATOM 0 HH21 ARG A 62 -10.705 22.021 0.448 1.00 41.33 H new ATOM 0 HH22 ARG A 62 -9.860 23.481 -0.075 1.00 41.33 H new ATOM 955 N PHE A 63 -8.713 15.054 -4.973 1.00 23.44 N ATOM 956 CA PHE A 63 -9.305 14.431 -6.151 1.00 63.22 C ATOM 957 C PHE A 63 -8.652 13.083 -6.441 1.00 31.24 C ATOM 958 O PHE A 63 -9.306 12.152 -6.907 1.00 61.13 O ATOM 959 CB PHE A 63 -9.163 15.351 -7.366 1.00 25.34 C ATOM 960 CG PHE A 63 -10.302 16.316 -7.524 1.00 53.02 C ATOM 961 CD1 PHE A 63 -10.565 17.264 -6.548 1.00 34.03 C ATOM 962 CD2 PHE A 63 -11.111 16.275 -8.648 1.00 44.21 C ATOM 963 CE1 PHE A 63 -11.614 18.152 -6.690 1.00 52.23 C ATOM 964 CE2 PHE A 63 -12.161 17.162 -8.797 1.00 41.23 C ATOM 965 CZ PHE A 63 -12.413 18.102 -7.817 1.00 44.10 C ATOM 0 H PHE A 63 -7.789 15.457 -5.129 1.00 23.44 H new ATOM 0 HA PHE A 63 -10.363 14.266 -5.950 1.00 63.22 H new ATOM 0 HB2 PHE A 63 -8.232 15.911 -7.280 1.00 25.34 H new ATOM 0 HB3 PHE A 63 -9.086 14.741 -8.266 1.00 25.34 H new ATOM 0 HD1 PHE A 63 -9.943 17.309 -5.666 1.00 34.03 H new ATOM 0 HD2 PHE A 63 -10.919 15.541 -9.417 1.00 44.21 H new ATOM 0 HE1 PHE A 63 -11.810 18.885 -5.921 1.00 52.23 H new ATOM 0 HE2 PHE A 63 -12.783 17.120 -9.679 1.00 41.23 H new ATOM 0 HZ PHE A 63 -13.232 18.796 -7.931 1.00 44.10 H new ATOM 975 N ASN A 64 -7.356 12.987 -6.159 1.00 41.35 N ATOM 976 CA ASN A 64 -6.613 11.754 -6.390 1.00 13.11 C ATOM 977 C ASN A 64 -7.310 10.567 -5.733 1.00 34.41 C ATOM 978 O ASN A 64 -7.314 9.459 -6.270 1.00 11.32 O ATOM 979 CB ASN A 64 -5.187 11.885 -5.851 1.00 33.13 C ATOM 980 CG ASN A 64 -4.146 11.841 -6.953 1.00 61.40 C ATOM 981 OD1 ASN A 64 -3.506 10.813 -7.176 1.00 31.44 O ATOM 982 ND2 ASN A 64 -3.972 12.958 -7.647 1.00 64.04 N ATOM 0 H ASN A 64 -6.799 13.748 -5.770 1.00 41.35 H new ATOM 0 HA ASN A 64 -6.573 11.579 -7.465 1.00 13.11 H new ATOM 0 HB2 ASN A 64 -5.093 12.823 -5.304 1.00 33.13 H new ATOM 0 HB3 ASN A 64 -4.995 11.081 -5.141 1.00 33.13 H new ATOM 0 HD21 ASN A 64 -3.285 12.988 -8.401 1.00 64.04 H new ATOM 0 HD22 ASN A 64 -4.525 13.786 -7.427 1.00 64.04 H new ATOM 989 N LYS A 65 -7.901 10.807 -4.567 1.00 33.30 N ATOM 990 CA LYS A 65 -8.604 9.760 -3.835 1.00 55.33 C ATOM 991 C LYS A 65 -9.791 9.236 -4.640 1.00 44.32 C ATOM 992 O LYS A 65 -9.886 8.041 -4.919 1.00 25.14 O ATOM 993 CB LYS A 65 -9.086 10.290 -2.482 1.00 53.34 C ATOM 994 CG LYS A 65 -10.024 9.341 -1.757 1.00 34.13 C ATOM 995 CD LYS A 65 -10.036 9.606 -0.260 1.00 71.51 C ATOM 996 CE LYS A 65 -11.223 10.467 0.144 1.00 71.13 C ATOM 997 NZ LYS A 65 -10.835 11.520 1.123 1.00 11.22 N ATOM 0 H LYS A 65 -7.907 11.718 -4.109 1.00 33.30 H new ATOM 0 HA LYS A 65 -7.908 8.938 -3.669 1.00 55.33 H new ATOM 0 HB2 LYS A 65 -8.221 10.487 -1.849 1.00 53.34 H new ATOM 0 HB3 LYS A 65 -9.593 11.243 -2.634 1.00 53.34 H new ATOM 0 HG2 LYS A 65 -11.033 9.450 -2.155 1.00 34.13 H new ATOM 0 HG3 LYS A 65 -9.717 8.312 -1.943 1.00 34.13 H new ATOM 0 HD2 LYS A 65 -10.072 8.659 0.278 1.00 71.51 H new ATOM 0 HD3 LYS A 65 -9.110 10.102 0.030 1.00 71.51 H new ATOM 0 HE2 LYS A 65 -11.651 10.935 -0.743 1.00 71.13 H new ATOM 0 HE3 LYS A 65 -11.999 9.836 0.577 1.00 71.13 H new ATOM 0 HZ1 LYS A 65 -11.671 12.086 1.374 1.00 11.22 H new ATOM 0 HZ2 LYS A 65 -10.450 11.073 1.979 1.00 11.22 H new ATOM 0 HZ3 LYS A 65 -10.113 12.138 0.700 1.00 11.22 H new ATOM 1011 N LYS A 66 -10.692 10.139 -5.011 1.00 53.22 N ATOM 1012 CA LYS A 66 -11.871 9.769 -5.785 1.00 50.24 C ATOM 1013 C LYS A 66 -11.473 9.057 -7.076 1.00 1.45 C ATOM 1014 O LYS A 66 -12.070 8.047 -7.446 1.00 63.12 O ATOM 1015 CB LYS A 66 -12.703 11.012 -6.113 1.00 24.24 C ATOM 1016 CG LYS A 66 -13.928 10.718 -6.959 1.00 14.43 C ATOM 1017 CD LYS A 66 -14.677 11.992 -7.317 1.00 12.13 C ATOM 1018 CE LYS A 66 -16.183 11.786 -7.268 1.00 23.11 C ATOM 1019 NZ LYS A 66 -16.919 13.080 -7.241 1.00 55.22 N ATOM 0 H LYS A 66 -10.628 11.132 -4.788 1.00 53.22 H new ATOM 0 HA LYS A 66 -12.470 9.086 -5.183 1.00 50.24 H new ATOM 0 HB2 LYS A 66 -13.019 11.483 -5.182 1.00 24.24 H new ATOM 0 HB3 LYS A 66 -12.074 11.732 -6.637 1.00 24.24 H new ATOM 0 HG2 LYS A 66 -13.626 10.203 -7.871 1.00 14.43 H new ATOM 0 HG3 LYS A 66 -14.592 10.044 -6.418 1.00 14.43 H new ATOM 0 HD2 LYS A 66 -14.395 12.787 -6.627 1.00 12.13 H new ATOM 0 HD3 LYS A 66 -14.386 12.318 -8.315 1.00 12.13 H new ATOM 0 HE2 LYS A 66 -16.499 11.207 -8.136 1.00 23.11 H new ATOM 0 HE3 LYS A 66 -16.441 11.203 -6.384 1.00 23.11 H new ATOM 0 HZ1 LYS A 66 -17.942 12.897 -7.208 1.00 55.22 H new ATOM 0 HZ2 LYS A 66 -16.637 13.622 -6.400 1.00 55.22 H new ATOM 0 HZ3 LYS A 66 -16.693 13.626 -8.097 1.00 55.22 H new ATOM 1033 N ARG A 67 -10.462 9.591 -7.753 1.00 1.15 N ATOM 1034 CA ARG A 67 -9.984 9.006 -8.999 1.00 51.34 C ATOM 1035 C ARG A 67 -9.438 7.601 -8.767 1.00 72.13 C ATOM 1036 O ARG A 67 -9.847 6.647 -9.431 1.00 5.31 O ATOM 1037 CB ARG A 67 -8.901 9.890 -9.620 1.00 61.41 C ATOM 1038 CG ARG A 67 -9.295 10.487 -10.960 1.00 75.24 C ATOM 1039 CD ARG A 67 -9.357 12.005 -10.898 1.00 73.01 C ATOM 1040 NE ARG A 67 -8.955 12.622 -12.159 1.00 51.44 N ATOM 1041 CZ ARG A 67 -8.940 13.934 -12.364 1.00 5.51 C ATOM 1042 NH1 ARG A 67 -9.301 14.764 -11.395 1.00 12.24 N ATOM 1043 NH2 ARG A 67 -8.560 14.420 -13.539 1.00 0.01 N ATOM 0 H ARG A 67 -9.958 10.428 -7.459 1.00 1.15 H new ATOM 0 HA ARG A 67 -10.827 8.940 -9.686 1.00 51.34 H new ATOM 0 HB2 ARG A 67 -8.663 10.698 -8.928 1.00 61.41 H new ATOM 0 HB3 ARG A 67 -7.993 9.301 -9.747 1.00 61.41 H new ATOM 0 HG2 ARG A 67 -8.576 10.182 -11.721 1.00 75.24 H new ATOM 0 HG3 ARG A 67 -10.266 10.094 -11.263 1.00 75.24 H new ATOM 0 HD2 ARG A 67 -10.372 12.316 -10.650 1.00 73.01 H new ATOM 0 HD3 ARG A 67 -8.709 12.362 -10.097 1.00 73.01 H new ATOM 0 HE ARG A 67 -8.670 12.011 -12.925 1.00 51.44 H new ATOM 0 HH11 ARG A 67 -9.591 14.395 -10.489 1.00 12.24 H new ATOM 0 HH12 ARG A 67 -9.288 15.771 -11.555 1.00 12.24 H new ATOM 0 HH21 ARG A 67 -8.279 13.786 -14.287 1.00 0.01 H new ATOM 0 HH22 ARG A 67 -8.549 15.428 -13.695 1.00 0.01 H new ATOM 1057 N LEU A 68 -8.514 7.480 -7.821 1.00 60.03 N ATOM 1058 CA LEU A 68 -7.911 6.191 -7.501 1.00 65.03 C ATOM 1059 C LEU A 68 -8.983 5.132 -7.264 1.00 1.00 C ATOM 1060 O LEU A 68 -8.979 4.079 -7.899 1.00 71.43 O ATOM 1061 CB LEU A 68 -7.019 6.316 -6.265 1.00 20.35 C ATOM 1062 CG LEU A 68 -5.513 6.372 -6.526 1.00 4.11 C ATOM 1063 CD1 LEU A 68 -5.114 7.741 -7.055 1.00 34.44 C ATOM 1064 CD2 LEU A 68 -4.739 6.041 -5.258 1.00 41.20 C ATOM 0 H LEU A 68 -8.166 8.259 -7.262 1.00 60.03 H new ATOM 0 HA LEU A 68 -7.303 5.881 -8.351 1.00 65.03 H new ATOM 0 HB2 LEU A 68 -7.307 7.217 -5.723 1.00 20.35 H new ATOM 0 HB3 LEU A 68 -7.222 5.470 -5.608 1.00 20.35 H new ATOM 0 HG LEU A 68 -5.266 5.627 -7.282 1.00 4.11 H new ATOM 0 HD11 LEU A 68 -4.039 7.762 -7.235 1.00 34.44 H new ATOM 0 HD12 LEU A 68 -5.642 7.939 -7.988 1.00 34.44 H new ATOM 0 HD13 LEU A 68 -5.374 8.504 -6.322 1.00 34.44 H new ATOM 0 HD21 LEU A 68 -3.669 6.086 -5.463 1.00 41.20 H new ATOM 0 HD22 LEU A 68 -4.990 6.762 -4.480 1.00 41.20 H new ATOM 0 HD23 LEU A 68 -5.003 5.038 -4.922 1.00 41.20 H new ATOM 1076 N GLU A 69 -9.900 5.421 -6.345 1.00 40.33 N ATOM 1077 CA GLU A 69 -10.978 4.493 -6.026 1.00 1.12 C ATOM 1078 C GLU A 69 -11.880 4.270 -7.236 1.00 60.11 C ATOM 1079 O GLU A 69 -12.302 3.147 -7.509 1.00 55.03 O ATOM 1080 CB GLU A 69 -11.804 5.022 -4.852 1.00 12.41 C ATOM 1081 CG GLU A 69 -11.261 4.616 -3.492 1.00 70.22 C ATOM 1082 CD GLU A 69 -11.993 3.425 -2.904 1.00 3.05 C ATOM 1083 OE1 GLU A 69 -11.764 2.293 -3.380 1.00 44.21 O ATOM 1084 OE2 GLU A 69 -12.794 3.624 -1.967 1.00 53.14 O ATOM 0 H GLU A 69 -9.917 6.289 -5.810 1.00 40.33 H new ATOM 0 HA GLU A 69 -10.531 3.539 -5.747 1.00 1.12 H new ATOM 0 HB2 GLU A 69 -11.843 6.110 -4.908 1.00 12.41 H new ATOM 0 HB3 GLU A 69 -12.828 4.661 -4.947 1.00 12.41 H new ATOM 0 HG2 GLU A 69 -10.201 4.377 -3.584 1.00 70.22 H new ATOM 0 HG3 GLU A 69 -11.339 5.460 -2.807 1.00 70.22 H new ATOM 1091 N GLU A 70 -12.171 5.348 -7.958 1.00 11.10 N ATOM 1092 CA GLU A 70 -13.023 5.270 -9.138 1.00 52.23 C ATOM 1093 C GLU A 70 -12.376 4.412 -10.221 1.00 65.24 C ATOM 1094 O GLU A 70 -13.059 3.874 -11.093 1.00 62.22 O ATOM 1095 CB GLU A 70 -13.307 6.671 -9.684 1.00 32.51 C ATOM 1096 CG GLU A 70 -14.445 7.382 -8.971 1.00 43.31 C ATOM 1097 CD GLU A 70 -15.810 6.914 -9.439 1.00 64.20 C ATOM 1098 OE1 GLU A 70 -16.188 5.770 -9.114 1.00 54.23 O ATOM 1099 OE2 GLU A 70 -16.498 7.693 -10.129 1.00 52.54 O ATOM 0 H GLU A 70 -11.829 6.285 -7.746 1.00 11.10 H new ATOM 0 HA GLU A 70 -13.964 4.805 -8.844 1.00 52.23 H new ATOM 0 HB2 GLU A 70 -12.403 7.275 -9.600 1.00 32.51 H new ATOM 0 HB3 GLU A 70 -13.544 6.597 -10.745 1.00 32.51 H new ATOM 0 HG2 GLU A 70 -14.356 7.216 -7.897 1.00 43.31 H new ATOM 0 HG3 GLU A 70 -14.357 8.456 -9.135 1.00 43.31 H new ATOM 1106 N ILE A 71 -11.053 4.291 -10.160 1.00 34.13 N ATOM 1107 CA ILE A 71 -10.314 3.499 -11.134 1.00 23.11 C ATOM 1108 C ILE A 71 -10.109 2.070 -10.640 1.00 55.12 C ATOM 1109 O ILE A 71 -10.144 1.120 -11.423 1.00 31.44 O ATOM 1110 CB ILE A 71 -8.941 4.125 -11.442 1.00 42.30 C ATOM 1111 CG1 ILE A 71 -9.114 5.536 -12.007 1.00 24.13 C ATOM 1112 CG2 ILE A 71 -8.166 3.250 -12.417 1.00 42.40 C ATOM 1113 CD1 ILE A 71 -7.981 6.473 -11.649 1.00 11.23 C ATOM 0 H ILE A 71 -10.472 4.732 -9.446 1.00 34.13 H new ATOM 0 HA ILE A 71 -10.911 3.483 -12.046 1.00 23.11 H new ATOM 0 HB ILE A 71 -8.373 4.193 -10.514 1.00 42.30 H new ATOM 0 HG12 ILE A 71 -9.197 5.477 -13.092 1.00 24.13 H new ATOM 0 HG13 ILE A 71 -10.051 5.954 -11.638 1.00 24.13 H new ATOM 0 HG21 ILE A 71 -7.198 3.706 -12.625 1.00 42.40 H new ATOM 0 HG22 ILE A 71 -8.016 2.263 -11.980 1.00 42.40 H new ATOM 0 HG23 ILE A 71 -8.728 3.154 -13.346 1.00 42.40 H new ATOM 0 HD11 ILE A 71 -8.170 7.455 -12.083 1.00 11.23 H new ATOM 0 HD12 ILE A 71 -7.911 6.562 -10.565 1.00 11.23 H new ATOM 0 HD13 ILE A 71 -7.044 6.078 -12.041 1.00 11.23 H new ATOM 1125 N THR A 72 -9.898 1.926 -9.337 1.00 22.25 N ATOM 1126 CA THR A 72 -9.689 0.614 -8.737 1.00 63.43 C ATOM 1127 C THR A 72 -10.959 -0.228 -8.798 1.00 11.43 C ATOM 1128 O THR A 72 -10.903 -1.441 -8.992 1.00 32.31 O ATOM 1129 CB THR A 72 -9.234 0.731 -7.270 1.00 11.40 C ATOM 1130 OG1 THR A 72 -10.235 1.406 -6.500 1.00 55.12 O ATOM 1131 CG2 THR A 72 -7.917 1.486 -7.171 1.00 42.11 C ATOM 0 H THR A 72 -9.867 2.702 -8.676 1.00 22.25 H new ATOM 0 HA THR A 72 -8.904 0.125 -9.314 1.00 63.43 H new ATOM 0 HB THR A 72 -9.089 -0.275 -6.876 1.00 11.40 H new ATOM 0 HG1 THR A 72 -10.797 1.945 -7.095 1.00 55.12 H new ATOM 0 HG21 THR A 72 -7.616 1.556 -6.126 1.00 42.11 H new ATOM 0 HG22 THR A 72 -7.150 0.955 -7.735 1.00 42.11 H new ATOM 0 HG23 THR A 72 -8.041 2.488 -7.581 1.00 42.11 H new ATOM 1139 N LYS A 73 -12.103 0.426 -8.630 1.00 31.33 N ATOM 1140 CA LYS A 73 -13.389 -0.260 -8.667 1.00 70.53 C ATOM 1141 C LYS A 73 -13.515 -1.113 -9.926 1.00 42.51 C ATOM 1142 O LYS A 73 -13.658 -2.334 -9.866 1.00 34.20 O ATOM 1143 CB LYS A 73 -14.534 0.753 -8.610 1.00 13.54 C ATOM 1144 CG LYS A 73 -15.314 0.716 -7.307 1.00 4.25 C ATOM 1145 CD LYS A 73 -16.066 2.015 -7.070 1.00 4.54 C ATOM 1146 CE LYS A 73 -17.427 2.003 -7.748 1.00 45.42 C ATOM 1147 NZ LYS A 73 -18.323 3.067 -7.213 1.00 43.15 N ATOM 0 H LYS A 73 -12.166 1.431 -8.467 1.00 31.33 H new ATOM 0 HA LYS A 73 -13.447 -0.914 -7.797 1.00 70.53 H new ATOM 0 HB2 LYS A 73 -14.129 1.755 -8.753 1.00 13.54 H new ATOM 0 HB3 LYS A 73 -15.217 0.564 -9.438 1.00 13.54 H new ATOM 0 HG2 LYS A 73 -16.019 -0.115 -7.327 1.00 4.25 H new ATOM 0 HG3 LYS A 73 -14.630 0.534 -6.478 1.00 4.25 H new ATOM 0 HD2 LYS A 73 -16.193 2.173 -5.999 1.00 4.54 H new ATOM 0 HD3 LYS A 73 -15.478 2.851 -7.448 1.00 4.54 H new ATOM 0 HE2 LYS A 73 -17.299 2.142 -8.822 1.00 45.42 H new ATOM 0 HE3 LYS A 73 -17.895 1.029 -7.606 1.00 45.42 H new ATOM 0 HZ1 LYS A 73 -19.241 3.026 -7.701 1.00 43.15 H new ATOM 0 HZ2 LYS A 73 -18.466 2.920 -6.193 1.00 43.15 H new ATOM 0 HZ3 LYS A 73 -17.889 3.999 -7.371 1.00 43.15 H new ATOM 1161 N PRO A 74 -13.457 -0.456 -11.094 1.00 72.01 N ATOM 1162 CA PRO A 74 -13.561 -1.135 -12.390 1.00 21.33 C ATOM 1163 C PRO A 74 -12.335 -1.987 -12.696 1.00 65.34 C ATOM 1164 O PRO A 74 -12.445 -3.067 -13.280 1.00 1.52 O ATOM 1165 CB PRO A 74 -13.672 0.020 -13.388 1.00 30.32 C ATOM 1166 CG PRO A 74 -13.013 1.172 -12.710 1.00 75.10 C ATOM 1167 CD PRO A 74 -13.288 0.999 -11.241 1.00 62.12 C ATOM 0 HA PRO A 74 -14.403 -1.826 -12.422 1.00 21.33 H new ATOM 0 HB2 PRO A 74 -13.177 -0.221 -14.329 1.00 30.32 H new ATOM 0 HB3 PRO A 74 -14.713 0.242 -13.623 1.00 30.32 H new ATOM 0 HG2 PRO A 74 -11.941 1.181 -12.908 1.00 75.10 H new ATOM 0 HG3 PRO A 74 -13.412 2.119 -13.073 1.00 75.10 H new ATOM 0 HD2 PRO A 74 -12.465 1.371 -10.632 1.00 62.12 H new ATOM 0 HD3 PRO A 74 -14.183 1.540 -10.933 1.00 62.12 H new ATOM 1175 N LYS A 75 -11.164 -1.497 -12.301 1.00 34.32 N ATOM 1176 CA LYS A 75 -9.916 -2.215 -12.531 1.00 41.10 C ATOM 1177 C LYS A 75 -9.893 -3.528 -11.757 1.00 65.12 C ATOM 1178 O LYS A 75 -9.189 -4.467 -12.129 1.00 62.12 O ATOM 1179 CB LYS A 75 -8.723 -1.348 -12.123 1.00 2.44 C ATOM 1180 CG LYS A 75 -8.336 -0.314 -13.166 1.00 52.23 C ATOM 1181 CD LYS A 75 -7.156 -0.780 -14.002 1.00 60.31 C ATOM 1182 CE LYS A 75 -5.836 -0.288 -13.427 1.00 32.44 C ATOM 1183 NZ LYS A 75 -4.726 -0.397 -14.413 1.00 12.21 N ATOM 0 H LYS A 75 -11.054 -0.605 -11.820 1.00 34.32 H new ATOM 0 HA LYS A 75 -9.846 -2.441 -13.595 1.00 41.10 H new ATOM 0 HB2 LYS A 75 -8.958 -0.838 -11.189 1.00 2.44 H new ATOM 0 HB3 LYS A 75 -7.866 -1.993 -11.928 1.00 2.44 H new ATOM 0 HG2 LYS A 75 -9.188 -0.115 -13.816 1.00 52.23 H new ATOM 0 HG3 LYS A 75 -8.085 0.625 -12.673 1.00 52.23 H new ATOM 0 HD2 LYS A 75 -7.150 -1.869 -14.049 1.00 60.31 H new ATOM 0 HD3 LYS A 75 -7.267 -0.417 -15.024 1.00 60.31 H new ATOM 0 HE2 LYS A 75 -5.942 0.750 -13.112 1.00 32.44 H new ATOM 0 HE3 LYS A 75 -5.589 -0.867 -12.537 1.00 32.44 H new ATOM 0 HZ1 LYS A 75 -3.844 -0.052 -13.983 1.00 12.21 H new ATOM 0 HZ2 LYS A 75 -4.608 -1.391 -14.694 1.00 12.21 H new ATOM 0 HZ3 LYS A 75 -4.949 0.176 -15.252 1.00 12.21 H new ATOM 1197 N GLY A 76 -10.667 -3.588 -10.678 1.00 23.15 N ATOM 1198 CA GLY A 76 -10.720 -4.792 -9.869 1.00 73.40 C ATOM 1199 C GLY A 76 -9.373 -5.151 -9.273 1.00 54.25 C ATOM 1200 O GLY A 76 -8.798 -6.188 -9.604 1.00 40.01 O ATOM 0 H GLY A 76 -11.258 -2.825 -10.349 1.00 23.15 H new ATOM 0 HA2 GLY A 76 -11.444 -4.655 -9.066 1.00 73.40 H new ATOM 0 HA3 GLY A 76 -11.076 -5.621 -10.480 1.00 73.40 H new ATOM 1204 N ILE A 77 -8.870 -4.291 -8.394 1.00 34.30 N ATOM 1205 CA ILE A 77 -7.582 -4.524 -7.752 1.00 52.21 C ATOM 1206 C ILE A 77 -7.663 -4.265 -6.251 1.00 5.32 C ATOM 1207 O ILE A 77 -8.499 -3.499 -5.771 1.00 43.53 O ATOM 1208 CB ILE A 77 -6.482 -3.632 -8.357 1.00 52.53 C ATOM 1209 CG1 ILE A 77 -6.925 -2.167 -8.356 1.00 24.14 C ATOM 1210 CG2 ILE A 77 -6.148 -4.088 -9.769 1.00 55.14 C ATOM 1211 CD1 ILE A 77 -6.010 -1.260 -7.562 1.00 12.43 C ATOM 0 H ILE A 77 -9.334 -3.428 -8.110 1.00 34.30 H new ATOM 0 HA ILE A 77 -7.326 -5.569 -7.925 1.00 52.21 H new ATOM 0 HB ILE A 77 -5.585 -3.721 -7.745 1.00 52.53 H new ATOM 0 HG12 ILE A 77 -6.974 -1.810 -9.385 1.00 24.14 H new ATOM 0 HG13 ILE A 77 -7.933 -2.101 -7.947 1.00 24.14 H new ATOM 0 HG21 ILE A 77 -5.369 -3.448 -10.183 1.00 55.14 H new ATOM 0 HG22 ILE A 77 -5.796 -5.119 -9.745 1.00 55.14 H new ATOM 0 HG23 ILE A 77 -7.040 -4.024 -10.392 1.00 55.14 H new ATOM 0 HD11 ILE A 77 -6.385 -0.237 -7.605 1.00 12.43 H new ATOM 0 HD12 ILE A 77 -5.980 -1.592 -6.524 1.00 12.43 H new ATOM 0 HD13 ILE A 77 -5.006 -1.296 -7.984 1.00 12.43 H new ATOM 1223 N PRO A 78 -6.771 -4.917 -5.490 1.00 42.51 N ATOM 1224 CA PRO A 78 -6.718 -4.770 -4.032 1.00 65.52 C ATOM 1225 C PRO A 78 -6.223 -3.393 -3.605 1.00 35.34 C ATOM 1226 O PRO A 78 -5.018 -3.155 -3.522 1.00 63.11 O ATOM 1227 CB PRO A 78 -5.723 -5.853 -3.604 1.00 34.04 C ATOM 1228 CG PRO A 78 -4.860 -6.069 -4.798 1.00 51.20 C ATOM 1229 CD PRO A 78 -5.745 -5.845 -5.994 1.00 1.11 C ATOM 0 HA PRO A 78 -7.703 -4.871 -3.576 1.00 65.52 H new ATOM 0 HB2 PRO A 78 -5.135 -5.533 -2.744 1.00 34.04 H new ATOM 0 HB3 PRO A 78 -6.236 -6.770 -3.316 1.00 34.04 H new ATOM 0 HG2 PRO A 78 -4.017 -5.378 -4.801 1.00 51.20 H new ATOM 0 HG3 PRO A 78 -4.445 -7.077 -4.803 1.00 51.20 H new ATOM 0 HD2 PRO A 78 -5.191 -5.416 -6.829 1.00 1.11 H new ATOM 0 HD3 PRO A 78 -6.185 -6.777 -6.348 1.00 1.11 H new ATOM 1237 N ILE A 79 -7.160 -2.491 -3.332 1.00 52.14 N ATOM 1238 CA ILE A 79 -6.818 -1.139 -2.911 1.00 50.45 C ATOM 1239 C ILE A 79 -7.321 -0.858 -1.500 1.00 20.24 C ATOM 1240 O ILE A 79 -8.462 -1.175 -1.163 1.00 65.20 O ATOM 1241 CB ILE A 79 -7.403 -0.086 -3.872 1.00 3.40 C ATOM 1242 CG1 ILE A 79 -6.841 1.300 -3.547 1.00 13.21 C ATOM 1243 CG2 ILE A 79 -8.922 -0.080 -3.789 1.00 73.24 C ATOM 1244 CD1 ILE A 79 -5.895 1.831 -4.601 1.00 11.12 C ATOM 0 H ILE A 79 -8.162 -2.673 -3.395 1.00 52.14 H new ATOM 0 HA ILE A 79 -5.730 -1.069 -2.926 1.00 50.45 H new ATOM 0 HB ILE A 79 -7.115 -0.345 -4.891 1.00 3.40 H new ATOM 0 HG12 ILE A 79 -7.668 2.000 -3.427 1.00 13.21 H new ATOM 0 HG13 ILE A 79 -6.319 1.257 -2.591 1.00 13.21 H new ATOM 0 HG21 ILE A 79 -9.321 0.669 -4.473 1.00 73.24 H new ATOM 0 HG22 ILE A 79 -9.305 -1.063 -4.063 1.00 73.24 H new ATOM 0 HG23 ILE A 79 -9.230 0.158 -2.771 1.00 73.24 H new ATOM 0 HD11 ILE A 79 -5.536 2.817 -4.304 1.00 11.12 H new ATOM 0 HD12 ILE A 79 -5.048 1.153 -4.705 1.00 11.12 H new ATOM 0 HD13 ILE A 79 -6.418 1.907 -5.554 1.00 11.12 H new ATOM 1256 N GLU A 80 -6.463 -0.261 -0.680 1.00 31.15 N ATOM 1257 CA GLU A 80 -6.822 0.063 0.697 1.00 64.01 C ATOM 1258 C GLU A 80 -6.342 1.463 1.069 1.00 71.43 C ATOM 1259 O GLU A 80 -5.553 2.073 0.346 1.00 71.41 O ATOM 1260 CB GLU A 80 -6.223 -0.966 1.659 1.00 33.01 C ATOM 1261 CG GLU A 80 -6.330 -2.398 1.162 1.00 15.15 C ATOM 1262 CD GLU A 80 -7.768 -2.850 0.992 1.00 51.34 C ATOM 1263 OE1 GLU A 80 -8.601 -2.526 1.865 1.00 50.15 O ATOM 1264 OE2 GLU A 80 -8.060 -3.527 -0.016 1.00 53.43 O ATOM 0 H GLU A 80 -5.515 0.008 -0.944 1.00 31.15 H new ATOM 0 HA GLU A 80 -7.909 0.037 0.778 1.00 64.01 H new ATOM 0 HB2 GLU A 80 -5.173 -0.726 1.827 1.00 33.01 H new ATOM 0 HB3 GLU A 80 -6.726 -0.886 2.623 1.00 33.01 H new ATOM 0 HG2 GLU A 80 -5.810 -2.488 0.208 1.00 15.15 H new ATOM 0 HG3 GLU A 80 -5.825 -3.061 1.864 1.00 15.15 H new ATOM 1271 N ILE A 81 -6.825 1.966 2.200 1.00 54.33 N ATOM 1272 CA ILE A 81 -6.446 3.293 2.668 1.00 74.02 C ATOM 1273 C ILE A 81 -5.881 3.236 4.083 1.00 32.05 C ATOM 1274 O ILE A 81 -6.463 2.610 4.970 1.00 63.25 O ATOM 1275 CB ILE A 81 -7.643 4.262 2.644 1.00 75.42 C ATOM 1276 CG1 ILE A 81 -8.269 4.298 1.248 1.00 12.52 C ATOM 1277 CG2 ILE A 81 -7.205 5.655 3.071 1.00 72.12 C ATOM 1278 CD1 ILE A 81 -7.337 4.829 0.181 1.00 24.12 C ATOM 0 H ILE A 81 -7.479 1.475 2.809 1.00 54.33 H new ATOM 0 HA ILE A 81 -5.678 3.660 1.987 1.00 74.02 H new ATOM 0 HB ILE A 81 -8.394 3.907 3.349 1.00 75.42 H new ATOM 0 HG12 ILE A 81 -8.585 3.291 0.974 1.00 12.52 H new ATOM 0 HG13 ILE A 81 -9.166 4.917 1.277 1.00 12.52 H new ATOM 0 HG21 ILE A 81 -8.062 6.329 3.049 1.00 72.12 H new ATOM 0 HG22 ILE A 81 -6.801 5.615 4.082 1.00 72.12 H new ATOM 0 HG23 ILE A 81 -6.438 6.021 2.388 1.00 72.12 H new ATOM 0 HD11 ILE A 81 -7.847 4.826 -0.782 1.00 24.12 H new ATOM 0 HD12 ILE A 81 -7.040 5.848 0.431 1.00 24.12 H new ATOM 0 HD13 ILE A 81 -6.451 4.197 0.124 1.00 24.12 H new ATOM 1290 N ILE A 82 -4.746 3.895 4.289 1.00 43.11 N ATOM 1291 CA ILE A 82 -4.104 3.922 5.597 1.00 31.30 C ATOM 1292 C ILE A 82 -4.877 4.806 6.570 1.00 51.31 C ATOM 1293 O ILE A 82 -5.001 6.012 6.363 1.00 11.42 O ATOM 1294 CB ILE A 82 -2.653 4.429 5.502 1.00 32.55 C ATOM 1295 CG1 ILE A 82 -1.905 3.694 4.387 1.00 35.13 C ATOM 1296 CG2 ILE A 82 -1.940 4.245 6.834 1.00 52.41 C ATOM 1297 CD1 ILE A 82 -0.491 4.189 4.179 1.00 13.52 C ATOM 0 H ILE A 82 -4.252 4.418 3.566 1.00 43.11 H new ATOM 0 HA ILE A 82 -4.098 2.897 5.967 1.00 31.30 H new ATOM 0 HB ILE A 82 -2.670 5.493 5.264 1.00 32.55 H new ATOM 0 HG12 ILE A 82 -1.878 2.629 4.619 1.00 35.13 H new ATOM 0 HG13 ILE A 82 -2.460 3.803 3.455 1.00 35.13 H new ATOM 0 HG21 ILE A 82 -0.915 4.608 6.751 1.00 52.41 H new ATOM 0 HG22 ILE A 82 -2.463 4.808 7.607 1.00 52.41 H new ATOM 0 HG23 ILE A 82 -1.930 3.188 7.098 1.00 52.41 H new ATOM 0 HD11 ILE A 82 -0.022 3.623 3.374 1.00 13.52 H new ATOM 0 HD12 ILE A 82 -0.511 5.246 3.915 1.00 13.52 H new ATOM 0 HD13 ILE A 82 0.080 4.055 5.098 1.00 13.52 H new ATOM 1309 N ASN A 83 -5.392 4.198 7.633 1.00 35.50 N ATOM 1310 CA ASN A 83 -6.152 4.929 8.640 1.00 45.40 C ATOM 1311 C ASN A 83 -5.368 6.141 9.138 1.00 34.34 C ATOM 1312 O ASN A 83 -4.138 6.128 9.171 1.00 24.34 O ATOM 1313 CB ASN A 83 -6.497 4.012 9.816 1.00 40.45 C ATOM 1314 CG ASN A 83 -7.939 4.163 10.262 1.00 4.32 C ATOM 1315 OD1 ASN A 83 -8.834 3.496 9.745 1.00 24.24 O ATOM 1316 ND2 ASN A 83 -8.168 5.046 11.228 1.00 32.52 N ATOM 0 H ASN A 83 -5.297 3.200 7.820 1.00 35.50 H new ATOM 0 HA ASN A 83 -7.076 5.279 8.179 1.00 45.40 H new ATOM 0 HB2 ASN A 83 -6.314 2.976 9.531 1.00 40.45 H new ATOM 0 HB3 ASN A 83 -5.835 4.234 10.653 1.00 40.45 H new ATOM 0 HD21 ASN A 83 -9.118 5.193 11.570 1.00 32.52 H new ATOM 0 HD22 ASN A 83 -7.394 5.577 11.627 1.00 32.52 H new ATOM 1323 N THR A 84 -6.091 7.187 9.525 1.00 32.05 N ATOM 1324 CA THR A 84 -5.465 8.406 10.021 1.00 2.44 C ATOM 1325 C THR A 84 -4.492 8.103 11.155 1.00 11.05 C ATOM 1326 O THR A 84 -3.290 8.340 11.034 1.00 31.34 O ATOM 1327 CB THR A 84 -6.517 9.415 10.519 1.00 54.53 C ATOM 1328 OG1 THR A 84 -7.773 9.171 9.875 1.00 5.25 O ATOM 1329 CG2 THR A 84 -6.070 10.844 10.244 1.00 62.34 C ATOM 0 H THR A 84 -7.110 7.214 9.504 1.00 32.05 H new ATOM 0 HA THR A 84 -4.919 8.843 9.185 1.00 2.44 H new ATOM 0 HB THR A 84 -6.630 9.287 11.596 1.00 54.53 H new ATOM 0 HG1 THR A 84 -8.437 9.815 10.198 1.00 5.25 H new ATOM 0 HG21 THR A 84 -6.829 11.538 10.604 1.00 62.34 H new ATOM 0 HG22 THR A 84 -5.129 11.036 10.759 1.00 62.34 H new ATOM 0 HG23 THR A 84 -5.932 10.982 9.172 1.00 62.34 H new ATOM 1337 N ILE A 85 -5.020 7.578 12.256 1.00 2.34 N ATOM 1338 CA ILE A 85 -4.197 7.241 13.412 1.00 45.04 C ATOM 1339 C ILE A 85 -3.029 6.344 13.011 1.00 40.41 C ATOM 1340 O ILE A 85 -1.891 6.573 13.418 1.00 5.44 O ATOM 1341 CB ILE A 85 -5.021 6.535 14.503 1.00 33.31 C ATOM 1342 CG1 ILE A 85 -6.267 7.355 14.842 1.00 33.32 C ATOM 1343 CG2 ILE A 85 -4.173 6.311 15.746 1.00 12.31 C ATOM 1344 CD1 ILE A 85 -7.564 6.626 14.567 1.00 71.01 C ATOM 0 H ILE A 85 -6.013 7.377 12.372 1.00 2.34 H new ATOM 0 HA ILE A 85 -3.812 8.180 13.811 1.00 45.04 H new ATOM 0 HB ILE A 85 -5.340 5.564 14.125 1.00 33.31 H new ATOM 0 HG12 ILE A 85 -6.233 7.634 15.895 1.00 33.32 H new ATOM 0 HG13 ILE A 85 -6.251 8.280 14.266 1.00 33.32 H new ATOM 0 HG21 ILE A 85 -4.770 5.811 16.508 1.00 12.31 H new ATOM 0 HG22 ILE A 85 -3.313 5.690 15.493 1.00 12.31 H new ATOM 0 HG23 ILE A 85 -3.827 7.271 16.128 1.00 12.31 H new ATOM 0 HD11 ILE A 85 -8.405 7.267 14.831 1.00 71.01 H new ATOM 0 HD12 ILE A 85 -7.620 6.370 13.509 1.00 71.01 H new ATOM 0 HD13 ILE A 85 -7.602 5.714 15.163 1.00 71.01 H new ATOM 1356 N ASP A 86 -3.320 5.325 12.211 1.00 52.21 N ATOM 1357 CA ASP A 86 -2.294 4.395 11.753 1.00 14.30 C ATOM 1358 C ASP A 86 -1.184 5.134 11.011 1.00 13.14 C ATOM 1359 O ASP A 86 -0.001 4.851 11.203 1.00 34.33 O ATOM 1360 CB ASP A 86 -2.911 3.330 10.844 1.00 10.41 C ATOM 1361 CG ASP A 86 -3.896 2.442 11.579 1.00 5.24 C ATOM 1362 OD1 ASP A 86 -3.746 2.280 12.808 1.00 11.34 O ATOM 1363 OD2 ASP A 86 -4.817 1.910 10.925 1.00 43.40 O ATOM 0 H ASP A 86 -4.258 5.121 11.866 1.00 52.21 H new ATOM 0 HA ASP A 86 -1.861 3.909 12.627 1.00 14.30 H new ATOM 0 HB2 ASP A 86 -3.417 3.817 10.010 1.00 10.41 H new ATOM 0 HB3 ASP A 86 -2.118 2.715 10.420 1.00 10.41 H new ATOM 1368 N TYR A 87 -1.574 6.080 10.163 1.00 23.35 N ATOM 1369 CA TYR A 87 -0.612 6.856 9.391 1.00 25.32 C ATOM 1370 C TYR A 87 0.288 7.678 10.309 1.00 65.24 C ATOM 1371 O TYR A 87 1.512 7.548 10.277 1.00 33.53 O ATOM 1372 CB TYR A 87 -1.338 7.779 8.412 1.00 72.33 C ATOM 1373 CG TYR A 87 -0.418 8.460 7.424 1.00 64.04 C ATOM 1374 CD1 TYR A 87 0.166 7.747 6.384 1.00 41.22 C ATOM 1375 CD2 TYR A 87 -0.131 9.815 7.531 1.00 33.24 C ATOM 1376 CE1 TYR A 87 1.008 8.365 5.479 1.00 23.03 C ATOM 1377 CE2 TYR A 87 0.709 10.441 6.632 1.00 51.24 C ATOM 1378 CZ TYR A 87 1.276 9.712 5.608 1.00 73.24 C ATOM 1379 OH TYR A 87 2.114 10.332 4.709 1.00 21.02 O ATOM 0 H TYR A 87 -2.549 6.327 9.993 1.00 23.35 H new ATOM 0 HA TYR A 87 0.011 6.159 8.830 1.00 25.32 H new ATOM 0 HB2 TYR A 87 -2.081 7.200 7.864 1.00 72.33 H new ATOM 0 HB3 TYR A 87 -1.878 8.539 8.976 1.00 72.33 H new ATOM 0 HD1 TYR A 87 -0.042 6.692 6.281 1.00 41.22 H new ATOM 0 HD2 TYR A 87 -0.573 10.389 8.332 1.00 33.24 H new ATOM 0 HE1 TYR A 87 1.453 7.797 4.676 1.00 23.03 H new ATOM 0 HE2 TYR A 87 0.921 11.495 6.730 1.00 51.24 H new ATOM 0 HH TYR A 87 2.197 11.281 4.940 1.00 21.02 H new ATOM 1389 N GLY A 88 -0.328 8.526 11.127 1.00 62.33 N ATOM 1390 CA GLY A 88 0.432 9.356 12.043 1.00 52.01 C ATOM 1391 C GLY A 88 1.288 8.540 12.992 1.00 50.12 C ATOM 1392 O GLY A 88 2.451 8.867 13.228 1.00 63.44 O ATOM 0 H GLY A 88 -1.339 8.653 11.172 1.00 62.33 H new ATOM 0 HA2 GLY A 88 1.070 10.031 11.472 1.00 52.01 H new ATOM 0 HA3 GLY A 88 -0.254 9.977 12.620 1.00 52.01 H new ATOM 1396 N THR A 89 0.710 7.476 13.541 1.00 43.00 N ATOM 1397 CA THR A 89 1.426 6.614 14.472 1.00 34.51 C ATOM 1398 C THR A 89 2.474 5.774 13.750 1.00 73.24 C ATOM 1399 O THR A 89 3.398 5.250 14.370 1.00 65.04 O ATOM 1400 CB THR A 89 0.462 5.676 15.223 1.00 24.24 C ATOM 1401 OG1 THR A 89 -0.198 4.806 14.296 1.00 5.12 O ATOM 1402 CG2 THR A 89 -0.572 6.474 16.002 1.00 70.11 C ATOM 0 H THR A 89 -0.252 7.191 13.357 1.00 43.00 H new ATOM 0 HA THR A 89 1.920 7.267 15.191 1.00 34.51 H new ATOM 0 HB THR A 89 1.044 5.081 15.927 1.00 24.24 H new ATOM 0 HG1 THR A 89 -0.242 3.901 14.671 1.00 5.12 H new ATOM 0 HG21 THR A 89 -1.241 5.790 16.524 1.00 70.11 H new ATOM 0 HG22 THR A 89 -0.068 7.113 16.727 1.00 70.11 H new ATOM 0 HG23 THR A 89 -1.149 7.092 15.314 1.00 70.11 H new ATOM 1410 N MET A 90 2.323 5.651 12.434 1.00 35.32 N ATOM 1411 CA MET A 90 3.257 4.876 11.627 1.00 32.12 C ATOM 1412 C MET A 90 3.231 3.404 12.027 1.00 54.22 C ATOM 1413 O MET A 90 4.250 2.840 12.419 1.00 64.31 O ATOM 1414 CB MET A 90 4.675 5.432 11.777 1.00 52.13 C ATOM 1415 CG MET A 90 4.757 6.941 11.617 1.00 73.35 C ATOM 1416 SD MET A 90 5.348 7.767 13.106 1.00 22.33 S ATOM 1417 CE MET A 90 6.949 6.991 13.311 1.00 70.14 C ATOM 0 H MET A 90 1.563 6.078 11.905 1.00 35.32 H new ATOM 0 HA MET A 90 2.950 4.956 10.584 1.00 32.12 H new ATOM 0 HB2 MET A 90 5.062 5.158 12.758 1.00 52.13 H new ATOM 0 HB3 MET A 90 5.321 4.961 11.036 1.00 52.13 H new ATOM 0 HG2 MET A 90 5.422 7.179 10.786 1.00 73.35 H new ATOM 0 HG3 MET A 90 3.772 7.329 11.358 1.00 73.35 H new ATOM 0 HE1 MET A 90 7.156 6.859 14.373 1.00 70.14 H new ATOM 0 HE2 MET A 90 6.948 6.019 12.818 1.00 70.14 H new ATOM 0 HE3 MET A 90 7.719 7.622 12.867 1.00 70.14 H new ATOM 1427 N ASN A 91 2.057 2.789 11.924 1.00 14.40 N ATOM 1428 CA ASN A 91 1.897 1.383 12.276 1.00 2.22 C ATOM 1429 C ASN A 91 2.305 0.482 11.114 1.00 33.12 C ATOM 1430 O ASN A 91 1.456 -0.024 10.380 1.00 13.53 O ATOM 1431 CB ASN A 91 0.448 1.097 12.675 1.00 31.41 C ATOM 1432 CG ASN A 91 0.204 1.309 14.157 1.00 33.21 C ATOM 1433 OD1 ASN A 91 -0.666 2.086 14.548 1.00 11.34 O ATOM 1434 ND2 ASN A 91 0.974 0.615 14.988 1.00 14.21 N ATOM 0 H ASN A 91 1.203 3.242 11.600 1.00 14.40 H new ATOM 0 HA ASN A 91 2.548 1.170 13.124 1.00 2.22 H new ATOM 0 HB2 ASN A 91 -0.218 1.744 12.104 1.00 31.41 H new ATOM 0 HB3 ASN A 91 0.197 0.069 12.412 1.00 31.41 H new ATOM 0 HD21 ASN A 91 0.856 0.715 15.996 1.00 14.21 H new ATOM 0 HD22 ASN A 91 1.683 -0.018 14.618 1.00 14.21 H new ATOM 1441 N GLY A 92 3.610 0.286 10.953 1.00 31.35 N ATOM 1442 CA GLY A 92 4.107 -0.554 9.880 1.00 74.40 C ATOM 1443 C GLY A 92 3.447 -1.919 9.859 1.00 64.22 C ATOM 1444 O GLY A 92 3.030 -2.397 8.804 1.00 34.05 O ATOM 0 H GLY A 92 4.332 0.694 11.547 1.00 31.35 H new ATOM 0 HA2 GLY A 92 3.937 -0.057 8.925 1.00 74.40 H new ATOM 0 HA3 GLY A 92 5.185 -0.677 9.988 1.00 74.40 H new ATOM 1448 N GLU A 93 3.355 -2.549 11.026 1.00 30.01 N ATOM 1449 CA GLU A 93 2.743 -3.868 11.136 1.00 24.50 C ATOM 1450 C GLU A 93 1.332 -3.864 10.555 1.00 11.02 C ATOM 1451 O GLU A 93 0.978 -4.725 9.749 1.00 10.50 O ATOM 1452 CB GLU A 93 2.704 -4.316 12.598 1.00 31.03 C ATOM 1453 CG GLU A 93 2.125 -5.708 12.793 1.00 42.51 C ATOM 1454 CD GLU A 93 1.875 -6.036 14.252 1.00 33.34 C ATOM 1455 OE1 GLU A 93 2.455 -5.354 15.123 1.00 74.32 O ATOM 1456 OE2 GLU A 93 1.098 -6.976 14.523 1.00 41.21 O ATOM 0 H GLU A 93 3.696 -2.167 11.908 1.00 30.01 H new ATOM 0 HA GLU A 93 3.350 -4.571 10.565 1.00 24.50 H new ATOM 0 HB2 GLU A 93 3.715 -4.292 13.004 1.00 31.03 H new ATOM 0 HB3 GLU A 93 2.113 -3.602 13.172 1.00 31.03 H new ATOM 0 HG2 GLU A 93 1.189 -5.789 12.241 1.00 42.51 H new ATOM 0 HG3 GLU A 93 2.809 -6.444 12.371 1.00 42.51 H new ATOM 1463 N LYS A 94 0.530 -2.890 10.972 1.00 62.13 N ATOM 1464 CA LYS A 94 -0.842 -2.771 10.494 1.00 23.24 C ATOM 1465 C LYS A 94 -0.877 -2.550 8.986 1.00 65.12 C ATOM 1466 O LYS A 94 -1.743 -3.079 8.290 1.00 24.11 O ATOM 1467 CB LYS A 94 -1.553 -1.617 11.206 1.00 64.52 C ATOM 1468 CG LYS A 94 -1.615 -1.779 12.715 1.00 32.12 C ATOM 1469 CD LYS A 94 -2.348 -3.050 13.110 1.00 72.44 C ATOM 1470 CE LYS A 94 -2.865 -2.975 14.538 1.00 3.30 C ATOM 1471 NZ LYS A 94 -4.343 -3.138 14.603 1.00 23.33 N ATOM 0 H LYS A 94 0.807 -2.171 11.641 1.00 62.13 H new ATOM 0 HA LYS A 94 -1.360 -3.704 10.718 1.00 23.24 H new ATOM 0 HB2 LYS A 94 -1.040 -0.685 10.970 1.00 64.52 H new ATOM 0 HB3 LYS A 94 -2.567 -1.531 10.816 1.00 64.52 H new ATOM 0 HG2 LYS A 94 -0.604 -1.800 13.121 1.00 32.12 H new ATOM 0 HG3 LYS A 94 -2.117 -0.917 13.154 1.00 32.12 H new ATOM 0 HD2 LYS A 94 -3.182 -3.217 12.428 1.00 72.44 H new ATOM 0 HD3 LYS A 94 -1.678 -3.904 13.009 1.00 72.44 H new ATOM 0 HE2 LYS A 94 -2.388 -3.750 15.138 1.00 3.30 H new ATOM 0 HE3 LYS A 94 -2.586 -2.016 14.975 1.00 3.30 H new ATOM 0 HZ1 LYS A 94 -4.655 -3.081 15.593 1.00 23.33 H new ATOM 0 HZ2 LYS A 94 -4.800 -2.384 14.052 1.00 23.33 H new ATOM 0 HZ3 LYS A 94 -4.608 -4.064 14.210 1.00 23.33 H new ATOM 1485 N VAL A 95 0.074 -1.767 8.485 1.00 13.52 N ATOM 1486 CA VAL A 95 0.153 -1.478 7.058 1.00 3.44 C ATOM 1487 C VAL A 95 0.407 -2.747 6.254 1.00 24.33 C ATOM 1488 O VAL A 95 -0.451 -3.196 5.494 1.00 51.45 O ATOM 1489 CB VAL A 95 1.268 -0.459 6.753 1.00 12.42 C ATOM 1490 CG1 VAL A 95 1.350 -0.189 5.259 1.00 73.51 C ATOM 1491 CG2 VAL A 95 1.035 0.832 7.525 1.00 72.14 C ATOM 0 H VAL A 95 0.800 -1.322 9.046 1.00 13.52 H new ATOM 0 HA VAL A 95 -0.808 -1.053 6.767 1.00 3.44 H new ATOM 0 HB VAL A 95 2.220 -0.881 7.074 1.00 12.42 H new ATOM 0 HG11 VAL A 95 2.143 0.533 5.063 1.00 73.51 H new ATOM 0 HG12 VAL A 95 1.567 -1.118 4.733 1.00 73.51 H new ATOM 0 HG13 VAL A 95 0.399 0.213 4.909 1.00 73.51 H new ATOM 0 HG21 VAL A 95 1.832 1.541 7.298 1.00 72.14 H new ATOM 0 HG22 VAL A 95 0.075 1.260 7.236 1.00 72.14 H new ATOM 0 HG23 VAL A 95 1.031 0.621 8.594 1.00 72.14 H new ATOM 1501 N LEU A 96 1.591 -3.324 6.428 1.00 23.51 N ATOM 1502 CA LEU A 96 1.959 -4.545 5.719 1.00 63.12 C ATOM 1503 C LEU A 96 0.891 -5.620 5.894 1.00 24.42 C ATOM 1504 O LEU A 96 0.566 -6.346 4.955 1.00 43.54 O ATOM 1505 CB LEU A 96 3.308 -5.064 6.220 1.00 52.54 C ATOM 1506 CG LEU A 96 3.463 -5.170 7.738 1.00 62.15 C ATOM 1507 CD1 LEU A 96 3.318 -6.615 8.188 1.00 63.30 C ATOM 1508 CD2 LEU A 96 4.806 -4.605 8.177 1.00 10.43 C ATOM 0 H LEU A 96 2.313 -2.966 7.054 1.00 23.51 H new ATOM 0 HA LEU A 96 2.040 -4.308 4.658 1.00 63.12 H new ATOM 0 HB2 LEU A 96 3.479 -6.050 5.787 1.00 52.54 H new ATOM 0 HB3 LEU A 96 4.091 -4.408 5.839 1.00 52.54 H new ATOM 0 HG LEU A 96 2.674 -4.583 8.208 1.00 62.15 H new ATOM 0 HD11 LEU A 96 3.431 -6.672 9.271 1.00 63.30 H new ATOM 0 HD12 LEU A 96 2.333 -6.987 7.906 1.00 63.30 H new ATOM 0 HD13 LEU A 96 4.086 -7.224 7.710 1.00 63.30 H new ATOM 0 HD21 LEU A 96 4.899 -4.688 9.260 1.00 10.43 H new ATOM 0 HD22 LEU A 96 5.610 -5.165 7.699 1.00 10.43 H new ATOM 0 HD23 LEU A 96 4.872 -3.556 7.887 1.00 10.43 H new ATOM 1520 N GLN A 97 0.347 -5.715 7.104 1.00 44.24 N ATOM 1521 CA GLN A 97 -0.685 -6.700 7.402 1.00 72.32 C ATOM 1522 C GLN A 97 -1.918 -6.475 6.534 1.00 33.50 C ATOM 1523 O GLN A 97 -2.376 -7.383 5.841 1.00 72.25 O ATOM 1524 CB GLN A 97 -1.069 -6.636 8.882 1.00 63.34 C ATOM 1525 CG GLN A 97 -0.122 -7.406 9.789 1.00 74.44 C ATOM 1526 CD GLN A 97 -0.202 -8.906 9.576 1.00 3.34 C ATOM 1527 OE1 GLN A 97 -1.090 -9.573 10.108 1.00 65.32 O ATOM 1528 NE2 GLN A 97 0.729 -9.443 8.797 1.00 74.31 N ATOM 0 H GLN A 97 0.604 -5.122 7.893 1.00 44.24 H new ATOM 0 HA GLN A 97 -0.283 -7.689 7.181 1.00 72.32 H new ATOM 0 HB2 GLN A 97 -1.094 -5.593 9.198 1.00 63.34 H new ATOM 0 HB3 GLN A 97 -2.078 -7.030 9.005 1.00 63.34 H new ATOM 0 HG2 GLN A 97 0.900 -7.071 9.610 1.00 74.44 H new ATOM 0 HG3 GLN A 97 -0.355 -7.177 10.829 1.00 74.44 H new ATOM 0 HE21 GLN A 97 1.446 -8.851 8.377 1.00 74.31 H new ATOM 0 HE22 GLN A 97 0.727 -10.447 8.618 1.00 74.31 H new ATOM 1537 N LEU A 98 -2.454 -5.259 6.579 1.00 65.44 N ATOM 1538 CA LEU A 98 -3.635 -4.915 5.796 1.00 11.32 C ATOM 1539 C LEU A 98 -3.424 -5.236 4.320 1.00 2.30 C ATOM 1540 O LEU A 98 -4.265 -5.873 3.687 1.00 70.31 O ATOM 1541 CB LEU A 98 -3.968 -3.432 5.965 1.00 4.53 C ATOM 1542 CG LEU A 98 -5.450 -3.063 5.893 1.00 63.12 C ATOM 1543 CD1 LEU A 98 -5.673 -1.643 6.390 1.00 41.15 C ATOM 1544 CD2 LEU A 98 -5.969 -3.220 4.470 1.00 23.15 C ATOM 0 H LEU A 98 -2.089 -4.496 7.149 1.00 65.44 H new ATOM 0 HA LEU A 98 -4.470 -5.513 6.162 1.00 11.32 H new ATOM 0 HB2 LEU A 98 -3.578 -3.100 6.927 1.00 4.53 H new ATOM 0 HB3 LEU A 98 -3.437 -2.871 5.196 1.00 4.53 H new ATOM 0 HG LEU A 98 -6.006 -3.742 6.539 1.00 63.12 H new ATOM 0 HD11 LEU A 98 -6.734 -1.399 6.331 1.00 41.15 H new ATOM 0 HD12 LEU A 98 -5.339 -1.563 7.425 1.00 41.15 H new ATOM 0 HD13 LEU A 98 -5.106 -0.948 5.771 1.00 41.15 H new ATOM 0 HD21 LEU A 98 -7.025 -2.953 4.436 1.00 23.15 H new ATOM 0 HD22 LEU A 98 -5.408 -2.565 3.804 1.00 23.15 H new ATOM 0 HD23 LEU A 98 -5.846 -4.255 4.150 1.00 23.15 H new ATOM 1556 N ALA A 99 -2.295 -4.790 3.779 1.00 23.11 N ATOM 1557 CA ALA A 99 -1.971 -5.033 2.378 1.00 31.55 C ATOM 1558 C ALA A 99 -1.994 -6.524 2.061 1.00 23.22 C ATOM 1559 O ALA A 99 -2.767 -6.976 1.215 1.00 21.54 O ATOM 1560 CB ALA A 99 -0.611 -4.440 2.041 1.00 34.12 C ATOM 0 H ALA A 99 -1.589 -4.259 4.289 1.00 23.11 H new ATOM 0 HA ALA A 99 -2.729 -4.546 1.765 1.00 31.55 H new ATOM 0 HB1 ALA A 99 -0.382 -4.629 0.992 1.00 34.12 H new ATOM 0 HB2 ALA A 99 -0.628 -3.365 2.221 1.00 34.12 H new ATOM 0 HB3 ALA A 99 0.152 -4.901 2.668 1.00 34.12 H new ATOM 1566 N ILE A 100 -1.142 -7.283 2.743 1.00 33.33 N ATOM 1567 CA ILE A 100 -1.066 -8.724 2.533 1.00 54.31 C ATOM 1568 C ILE A 100 -2.436 -9.375 2.686 1.00 35.12 C ATOM 1569 O ILE A 100 -2.797 -10.271 1.925 1.00 30.53 O ATOM 1570 CB ILE A 100 -0.082 -9.384 3.517 1.00 73.43 C ATOM 1571 CG1 ILE A 100 1.314 -8.778 3.361 1.00 55.20 C ATOM 1572 CG2 ILE A 100 -0.040 -10.888 3.292 1.00 34.41 C ATOM 1573 CD1 ILE A 100 2.212 -9.015 4.555 1.00 11.11 C ATOM 0 H ILE A 100 -0.495 -6.924 3.445 1.00 33.33 H new ATOM 0 HA ILE A 100 -0.707 -8.877 1.515 1.00 54.31 H new ATOM 0 HB ILE A 100 -0.427 -9.196 4.534 1.00 73.43 H new ATOM 0 HG12 ILE A 100 1.786 -9.197 2.473 1.00 55.20 H new ATOM 0 HG13 ILE A 100 1.219 -7.705 3.195 1.00 55.20 H new ATOM 0 HG21 ILE A 100 0.659 -11.342 3.994 1.00 34.41 H new ATOM 0 HG22 ILE A 100 -1.034 -11.307 3.448 1.00 34.41 H new ATOM 0 HG23 ILE A 100 0.285 -11.094 2.272 1.00 34.41 H new ATOM 0 HD11 ILE A 100 3.185 -8.558 4.375 1.00 11.11 H new ATOM 0 HD12 ILE A 100 1.762 -8.571 5.443 1.00 11.11 H new ATOM 0 HD13 ILE A 100 2.337 -10.087 4.709 1.00 11.11 H new ATOM 1585 N ASN A 101 -3.196 -8.915 3.675 1.00 72.13 N ATOM 1586 CA ASN A 101 -4.528 -9.452 3.928 1.00 73.43 C ATOM 1587 C ASN A 101 -5.427 -9.276 2.708 1.00 13.33 C ATOM 1588 O ASN A 101 -6.127 -10.202 2.300 1.00 14.10 O ATOM 1589 CB ASN A 101 -5.157 -8.765 5.142 1.00 2.51 C ATOM 1590 CG ASN A 101 -6.542 -9.296 5.455 1.00 1.50 C ATOM 1591 OD1 ASN A 101 -6.769 -10.506 5.458 1.00 32.21 O ATOM 1592 ND2 ASN A 101 -7.476 -8.390 5.721 1.00 30.13 N ATOM 0 H ASN A 101 -2.912 -8.172 4.314 1.00 72.13 H new ATOM 0 HA ASN A 101 -4.429 -10.518 4.133 1.00 73.43 H new ATOM 0 HB2 ASN A 101 -4.513 -8.906 6.010 1.00 2.51 H new ATOM 0 HB3 ASN A 101 -5.215 -7.692 4.959 1.00 2.51 H new ATOM 0 HD21 ASN A 101 -8.427 -8.687 5.939 1.00 30.13 H new ATOM 0 HD22 ASN A 101 -7.242 -7.397 5.707 1.00 30.13 H new ATOM 1599 N ALA A 102 -5.401 -8.079 2.129 1.00 34.24 N ATOM 1600 CA ALA A 102 -6.211 -7.781 0.955 1.00 54.33 C ATOM 1601 C ALA A 102 -5.786 -8.634 -0.236 1.00 32.21 C ATOM 1602 O ALA A 102 -6.624 -9.206 -0.934 1.00 13.52 O ATOM 1603 CB ALA A 102 -6.114 -6.303 0.609 1.00 14.41 C ATOM 0 H ALA A 102 -4.828 -7.301 2.455 1.00 34.24 H new ATOM 0 HA ALA A 102 -7.248 -8.021 1.189 1.00 54.33 H new ATOM 0 HB1 ALA A 102 -6.724 -6.094 -0.270 1.00 14.41 H new ATOM 0 HB2 ALA A 102 -6.473 -5.708 1.449 1.00 14.41 H new ATOM 0 HB3 ALA A 102 -5.076 -6.046 0.400 1.00 14.41 H new ATOM 1609 N PHE A 103 -4.480 -8.715 -0.463 1.00 63.13 N ATOM 1610 CA PHE A 103 -3.943 -9.497 -1.570 1.00 61.45 C ATOM 1611 C PHE A 103 -4.395 -10.951 -1.479 1.00 34.23 C ATOM 1612 O PHE A 103 -4.913 -11.514 -2.442 1.00 40.24 O ATOM 1613 CB PHE A 103 -2.415 -9.426 -1.581 1.00 53.12 C ATOM 1614 CG PHE A 103 -1.793 -10.058 -2.793 1.00 13.21 C ATOM 1615 CD1 PHE A 103 -1.940 -9.481 -4.045 1.00 1.35 C ATOM 1616 CD2 PHE A 103 -1.061 -11.229 -2.682 1.00 44.41 C ATOM 1617 CE1 PHE A 103 -1.370 -10.061 -5.161 1.00 12.10 C ATOM 1618 CE2 PHE A 103 -0.487 -11.813 -3.796 1.00 73.31 C ATOM 1619 CZ PHE A 103 -0.642 -11.227 -5.037 1.00 30.50 C ATOM 0 H PHE A 103 -3.773 -8.248 0.105 1.00 63.13 H new ATOM 0 HA PHE A 103 -4.325 -9.073 -2.499 1.00 61.45 H new ATOM 0 HB2 PHE A 103 -2.108 -8.382 -1.528 1.00 53.12 H new ATOM 0 HB3 PHE A 103 -2.030 -9.917 -0.687 1.00 53.12 H new ATOM 0 HD1 PHE A 103 -2.507 -8.568 -4.149 1.00 1.35 H new ATOM 0 HD2 PHE A 103 -0.937 -11.691 -1.714 1.00 44.41 H new ATOM 0 HE1 PHE A 103 -1.494 -9.602 -6.131 1.00 12.10 H new ATOM 0 HE2 PHE A 103 0.082 -12.726 -3.696 1.00 73.31 H new ATOM 0 HZ PHE A 103 -0.194 -11.680 -5.909 1.00 30.50 H new ATOM 1629 N ASN A 104 -4.194 -11.554 -0.311 1.00 70.41 N ATOM 1630 CA ASN A 104 -4.579 -12.944 -0.092 1.00 20.11 C ATOM 1631 C ASN A 104 -6.088 -13.121 -0.243 1.00 63.12 C ATOM 1632 O ASN A 104 -6.553 -14.103 -0.820 1.00 51.30 O ATOM 1633 CB ASN A 104 -4.137 -13.404 1.298 1.00 61.33 C ATOM 1634 CG ASN A 104 -2.865 -14.230 1.256 1.00 50.42 C ATOM 1635 OD1 ASN A 104 -2.908 -15.448 1.088 1.00 2.13 O ATOM 1636 ND2 ASN A 104 -1.724 -13.567 1.409 1.00 13.42 N ATOM 0 H ASN A 104 -3.767 -11.102 0.498 1.00 70.41 H new ATOM 0 HA ASN A 104 -4.082 -13.556 -0.845 1.00 20.11 H new ATOM 0 HB2 ASN A 104 -3.980 -12.532 1.933 1.00 61.33 H new ATOM 0 HB3 ASN A 104 -4.934 -13.992 1.754 1.00 61.33 H new ATOM 0 HD21 ASN A 104 -0.836 -14.069 1.390 1.00 13.42 H new ATOM 0 HD22 ASN A 104 -1.736 -12.556 1.546 1.00 13.42 H new ATOM 1643 N ASN A 105 -6.845 -12.162 0.280 1.00 11.01 N ATOM 1644 CA ASN A 105 -8.301 -12.211 0.204 1.00 4.21 C ATOM 1645 C ASN A 105 -8.770 -12.180 -1.248 1.00 12.24 C ATOM 1646 O ASN A 105 -9.720 -12.870 -1.619 1.00 15.52 O ATOM 1647 CB ASN A 105 -8.912 -11.040 0.976 1.00 35.10 C ATOM 1648 CG ASN A 105 -9.218 -11.395 2.418 1.00 21.25 C ATOM 1649 OD1 ASN A 105 -10.450 -11.821 2.674 1.00 45.21 O flip ATOM 1650 ND2 ASN A 105 -8.357 -11.288 3.291 1.00 3.41 N flip ATOM 0 H ASN A 105 -6.475 -11.342 0.761 1.00 11.01 H new ATOM 0 HA ASN A 105 -8.634 -13.146 0.654 1.00 4.21 H new ATOM 0 HB2 ASN A 105 -8.225 -10.194 0.951 1.00 35.10 H new ATOM 0 HB3 ASN A 105 -9.829 -10.721 0.481 1.00 35.10 H new ATOM 0 HD21 ASN A 105 -7.423 -10.956 3.049 1.00 3.41 H new ATOM 0 HD22 ASN A 105 -8.577 -11.531 4.257 1.00 3.41 H new ATOM 1657 N LYS A 106 -8.099 -11.374 -2.063 1.00 40.22 N ATOM 1658 CA LYS A 106 -8.446 -11.253 -3.475 1.00 10.23 C ATOM 1659 C LYS A 106 -7.866 -12.411 -4.279 1.00 23.51 C ATOM 1660 O LYS A 106 -8.593 -13.303 -4.715 1.00 21.23 O ATOM 1661 CB LYS A 106 -7.934 -9.923 -4.033 1.00 40.11 C ATOM 1662 CG LYS A 106 -9.036 -8.913 -4.303 1.00 45.11 C ATOM 1663 CD LYS A 106 -9.205 -8.657 -5.792 1.00 41.01 C ATOM 1664 CE LYS A 106 -10.673 -8.644 -6.191 1.00 62.11 C ATOM 1665 NZ LYS A 106 -11.407 -7.508 -5.569 1.00 41.55 N ATOM 0 H LYS A 106 -7.312 -10.795 -1.771 1.00 40.22 H new ATOM 0 HA LYS A 106 -9.532 -11.283 -3.561 1.00 10.23 H new ATOM 0 HB2 LYS A 106 -7.223 -9.493 -3.328 1.00 40.11 H new ATOM 0 HB3 LYS A 106 -7.391 -10.112 -4.959 1.00 40.11 H new ATOM 0 HG2 LYS A 106 -9.975 -9.278 -3.887 1.00 45.11 H new ATOM 0 HG3 LYS A 106 -8.805 -7.976 -3.796 1.00 45.11 H new ATOM 0 HD2 LYS A 106 -8.747 -7.703 -6.053 1.00 41.01 H new ATOM 0 HD3 LYS A 106 -8.680 -9.427 -6.357 1.00 41.01 H new ATOM 0 HE2 LYS A 106 -10.754 -8.578 -7.276 1.00 62.11 H new ATOM 0 HE3 LYS A 106 -11.139 -9.584 -5.893 1.00 62.11 H new ATOM 0 HZ1 LYS A 106 -12.400 -7.525 -5.879 1.00 41.55 H new ATOM 0 HZ2 LYS A 106 -11.366 -7.594 -4.533 1.00 41.55 H new ATOM 0 HZ3 LYS A 106 -10.969 -6.611 -5.860 1.00 41.55 H new