USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 858 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 21 TYR OH : rot 98:sc= 0.21 USER MOD Set 1.2: A 87 HIS : no HD1:sc= -0.578 X(o=-0.37,f=0.017) USER MOD Set 2.1: A 38 THR OG1 : rot -78:sc= 1.07 USER MOD Set 2.2: A 71 MET CE :methyl 155:sc= -0.501 (180deg=-2.82) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 109:sc= 0.802 USER MOD Single : A 5 MET CE :methyl -152:sc= -0.338 (180deg=-1.17) USER MOD Single : A 7 ASN : amide:sc= -0.0675 K(o=-0.067,f=-1.1!) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 18 ASN : amide:sc= 0.673 K(o=0.67,f=-11!) USER MOD Single : A 42 THR OG1 : rot -89:sc= 0.156 USER MOD Single : A 43 ASN : amide:sc= -1.68! C(o=-1.7!,f=-5!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc=-0.00426 (180deg=-0.119) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.182 K(o=0.18,f=-2.1!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.39 K(o=-1.4,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 147:sc= -0.286 (180deg=-1.16) USER MOD Single : A 91 GLN : amide:sc= -4.61! K(o=-4.6!,f=-1.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.037 0.112 7.077 1.00 73.34 N ATOM 2 CA GLY A 1 3.376 -0.975 7.840 1.00 62.13 C ATOM 3 C GLY A 1 4.277 -2.183 8.017 1.00 61.10 C ATOM 4 O GLY A 1 5.070 -2.229 8.959 1.00 24.12 O ATOM 0 H1 GLY A 1 3.384 0.916 6.981 1.00 73.34 H new ATOM 0 H2 GLY A 1 4.893 0.420 7.582 1.00 73.34 H new ATOM 0 H3 GLY A 1 4.298 -0.236 6.132 1.00 73.34 H new ATOM 0 HA2 GLY A 1 3.078 -0.600 8.819 1.00 62.13 H new ATOM 0 HA3 GLY A 1 2.465 -1.276 7.324 1.00 62.13 H new ATOM 10 N PRO A 2 4.182 -3.188 7.123 1.00 54.02 N ATOM 11 CA PRO A 2 5.012 -4.396 7.202 1.00 54.14 C ATOM 12 C PRO A 2 6.493 -4.095 6.960 1.00 12.11 C ATOM 13 O PRO A 2 6.923 -3.878 5.823 1.00 30.53 O ATOM 14 CB PRO A 2 4.441 -5.304 6.099 1.00 64.44 C ATOM 15 CG PRO A 2 3.784 -4.372 5.140 1.00 74.42 C ATOM 16 CD PRO A 2 3.259 -3.228 5.969 1.00 51.33 C ATOM 0 HA PRO A 2 4.979 -4.853 8.191 1.00 54.14 H new ATOM 0 HB2 PRO A 2 5.229 -5.880 5.614 1.00 64.44 H new ATOM 0 HB3 PRO A 2 3.727 -6.020 6.506 1.00 64.44 H new ATOM 0 HG2 PRO A 2 4.493 -4.019 4.391 1.00 74.42 H new ATOM 0 HG3 PRO A 2 2.976 -4.869 4.604 1.00 74.42 H new ATOM 0 HD2 PRO A 2 3.270 -2.291 5.413 1.00 51.33 H new ATOM 0 HD3 PRO A 2 2.230 -3.399 6.284 1.00 51.33 H new ATOM 24 N GLY A 3 7.258 -4.042 8.045 1.00 32.55 N ATOM 25 CA GLY A 3 8.685 -3.794 7.950 1.00 61.02 C ATOM 26 C GLY A 3 9.469 -5.076 7.772 1.00 31.51 C ATOM 27 O GLY A 3 10.051 -5.596 8.726 1.00 24.10 O ATOM 0 H GLY A 3 6.912 -4.168 8.996 1.00 32.55 H new ATOM 0 HA2 GLY A 3 8.883 -3.128 7.110 1.00 61.02 H new ATOM 0 HA3 GLY A 3 9.025 -3.282 8.850 1.00 61.02 H new ATOM 31 N SER A 4 9.469 -5.591 6.552 1.00 41.20 N ATOM 32 CA SER A 4 10.180 -6.818 6.224 1.00 34.13 C ATOM 33 C SER A 4 10.658 -6.789 4.775 1.00 22.30 C ATOM 34 O SER A 4 10.358 -5.849 4.034 1.00 41.31 O ATOM 35 CB SER A 4 9.265 -8.027 6.464 1.00 5.34 C ATOM 36 OG SER A 4 7.990 -7.827 5.879 1.00 55.43 O ATOM 0 H SER A 4 8.977 -5.172 5.763 1.00 41.20 H new ATOM 0 HA SER A 4 11.055 -6.902 6.868 1.00 34.13 H new ATOM 0 HB2 SER A 4 9.724 -8.923 6.046 1.00 5.34 H new ATOM 0 HB3 SER A 4 9.154 -8.196 7.535 1.00 5.34 H new ATOM 0 HG SER A 4 7.892 -8.413 5.100 1.00 55.43 H new ATOM 42 N MET A 5 11.417 -7.809 4.385 1.00 64.41 N ATOM 43 CA MET A 5 11.893 -7.947 3.015 1.00 24.34 C ATOM 44 C MET A 5 12.447 -9.348 2.791 1.00 51.43 C ATOM 45 O MET A 5 13.066 -9.932 3.685 1.00 54.22 O ATOM 46 CB MET A 5 12.973 -6.904 2.685 1.00 2.21 C ATOM 47 CG MET A 5 14.226 -6.994 3.549 1.00 62.13 C ATOM 48 SD MET A 5 15.605 -6.065 2.849 1.00 65.44 S ATOM 49 CE MET A 5 15.870 -6.981 1.328 1.00 30.13 C ATOM 0 H MET A 5 11.717 -8.559 5.007 1.00 64.41 H new ATOM 0 HA MET A 5 11.045 -7.779 2.351 1.00 24.34 H new ATOM 0 HB2 MET A 5 13.260 -7.015 1.639 1.00 2.21 H new ATOM 0 HB3 MET A 5 12.543 -5.908 2.794 1.00 2.21 H new ATOM 0 HG2 MET A 5 14.005 -6.616 4.547 1.00 62.13 H new ATOM 0 HG3 MET A 5 14.514 -8.039 3.661 1.00 62.13 H new ATOM 0 HE1 MET A 5 16.915 -6.897 1.030 1.00 30.13 H new ATOM 0 HE2 MET A 5 15.621 -8.030 1.487 1.00 30.13 H new ATOM 0 HE3 MET A 5 15.235 -6.573 0.542 1.00 30.13 H new ATOM 59 N VAL A 6 12.216 -9.875 1.598 1.00 42.23 N ATOM 60 CA VAL A 6 12.664 -11.210 1.221 1.00 64.21 C ATOM 61 C VAL A 6 13.042 -11.238 -0.254 1.00 41.01 C ATOM 62 O VAL A 6 12.793 -10.278 -0.987 1.00 75.33 O ATOM 63 CB VAL A 6 11.571 -12.282 1.495 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.434 -12.562 2.994 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.229 -11.847 0.908 1.00 11.52 C ATOM 0 H VAL A 6 11.710 -9.387 0.859 1.00 42.23 H new ATOM 0 HA VAL A 6 13.535 -11.448 1.831 1.00 64.21 H new ATOM 0 HB VAL A 6 11.880 -13.206 1.006 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.663 -13.315 3.154 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.384 -12.927 3.384 1.00 60.22 H new ATOM 0 HG13 VAL A 6 11.158 -11.644 3.512 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.478 -12.611 1.111 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.921 -10.906 1.363 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.329 -11.714 -0.169 1.00 11.52 H new ATOM 75 N ASN A 7 13.660 -12.341 -0.666 1.00 53.22 N ATOM 76 CA ASN A 7 14.015 -12.578 -2.067 1.00 71.21 C ATOM 77 C ASN A 7 12.826 -12.302 -2.991 1.00 44.52 C ATOM 78 O ASN A 7 11.673 -12.477 -2.593 1.00 33.22 O ATOM 79 CB ASN A 7 14.479 -14.030 -2.224 1.00 54.12 C ATOM 80 CG ASN A 7 15.941 -14.239 -1.866 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.773 -13.350 -2.041 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.268 -15.416 -1.355 1.00 52.12 N ATOM 0 H ASN A 7 13.930 -13.099 -0.039 1.00 53.22 H new ATOM 0 HA ASN A 7 14.819 -11.898 -2.348 1.00 71.21 H new ATOM 0 HB2 ASN A 7 13.863 -14.671 -1.593 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.316 -14.346 -3.254 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.235 -15.607 -1.093 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.553 -16.131 -1.223 1.00 52.12 H new ATOM 89 N ALA A 8 13.119 -11.897 -4.229 1.00 60.32 N ATOM 90 CA ALA A 8 12.089 -11.480 -5.185 1.00 3.34 C ATOM 91 C ALA A 8 10.976 -12.522 -5.304 1.00 60.24 C ATOM 92 O ALA A 8 9.793 -12.186 -5.236 1.00 14.22 O ATOM 93 CB ALA A 8 12.716 -11.207 -6.550 1.00 31.02 C ATOM 0 H ALA A 8 14.070 -11.849 -4.596 1.00 60.32 H new ATOM 0 HA ALA A 8 11.639 -10.560 -4.811 1.00 3.34 H new ATOM 0 HB1 ALA A 8 11.941 -10.898 -7.251 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.458 -10.414 -6.457 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.197 -12.113 -6.917 1.00 31.02 H new ATOM 99 N PHE A 9 11.368 -13.781 -5.468 1.00 32.01 N ATOM 100 CA PHE A 9 10.416 -14.888 -5.579 1.00 51.44 C ATOM 101 C PHE A 9 9.508 -14.949 -4.353 1.00 64.40 C ATOM 102 O PHE A 9 8.298 -15.132 -4.468 1.00 61.22 O ATOM 103 CB PHE A 9 11.178 -16.212 -5.729 1.00 13.33 C ATOM 104 CG PHE A 9 10.310 -17.446 -5.826 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.882 -18.118 -4.686 1.00 60.44 C ATOM 106 CD2 PHE A 9 9.937 -17.943 -7.064 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.099 -19.253 -4.787 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.158 -19.079 -7.168 1.00 51.30 C ATOM 109 CZ PHE A 9 8.737 -19.734 -6.030 1.00 62.30 C ATOM 0 H PHE A 9 12.346 -14.065 -5.528 1.00 32.01 H new ATOM 0 HA PHE A 9 9.794 -14.723 -6.459 1.00 51.44 H new ATOM 0 HB2 PHE A 9 11.802 -16.155 -6.621 1.00 13.33 H new ATOM 0 HB3 PHE A 9 11.849 -16.325 -4.878 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.164 -17.749 -3.711 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.260 -17.435 -7.961 1.00 74.23 H new ATOM 0 HE1 PHE A 9 8.770 -19.764 -3.894 1.00 44.20 H new ATOM 0 HE2 PHE A 9 8.878 -19.454 -8.141 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.126 -20.621 -6.110 1.00 62.30 H new ATOM 119 N LEU A 10 10.103 -14.779 -3.179 1.00 11.31 N ATOM 120 CA LEU A 10 9.376 -14.907 -1.920 1.00 65.43 C ATOM 121 C LEU A 10 8.428 -13.729 -1.724 1.00 12.34 C ATOM 122 O LEU A 10 7.288 -13.905 -1.294 1.00 22.41 O ATOM 123 CB LEU A 10 10.356 -15.030 -0.744 1.00 53.03 C ATOM 124 CG LEU A 10 11.052 -16.398 -0.602 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.020 -17.500 -0.402 1.00 60.00 C ATOM 126 CD2 LEU A 10 11.935 -16.705 -1.811 1.00 5.43 C ATOM 0 H LEU A 10 11.091 -14.551 -3.071 1.00 11.31 H new ATOM 0 HA LEU A 10 8.776 -15.816 -1.957 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.122 -14.261 -0.850 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.817 -14.818 0.179 1.00 53.03 H new ATOM 0 HG LEU A 10 11.696 -16.355 0.276 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.527 -18.460 -0.303 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.444 -17.299 0.501 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.349 -17.531 -1.261 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.410 -17.677 -1.677 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.324 -16.721 -2.713 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.702 -15.936 -1.906 1.00 5.43 H new ATOM 138 N ALA A 11 8.897 -12.530 -2.057 1.00 51.23 N ATOM 139 CA ALA A 11 8.048 -11.342 -2.023 1.00 43.20 C ATOM 140 C ALA A 11 6.919 -11.491 -3.038 1.00 60.02 C ATOM 141 O ALA A 11 5.792 -11.034 -2.816 1.00 21.33 O ATOM 142 CB ALA A 11 8.874 -10.089 -2.306 1.00 15.33 C ATOM 0 H ALA A 11 9.857 -12.355 -2.353 1.00 51.23 H new ATOM 0 HA ALA A 11 7.613 -11.239 -1.029 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.227 -9.212 -2.277 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.654 -9.989 -1.551 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.332 -10.170 -3.292 1.00 15.33 H new ATOM 148 N LYS A 12 7.243 -12.156 -4.143 1.00 75.22 N ATOM 149 CA LYS A 12 6.276 -12.446 -5.194 1.00 3.03 C ATOM 150 C LYS A 12 5.173 -13.341 -4.636 1.00 75.15 C ATOM 151 O LYS A 12 3.990 -13.064 -4.815 1.00 72.25 O ATOM 152 CB LYS A 12 6.984 -13.137 -6.373 1.00 62.31 C ATOM 153 CG LYS A 12 6.220 -13.097 -7.692 1.00 64.45 C ATOM 154 CD LYS A 12 6.070 -11.669 -8.212 1.00 25.11 C ATOM 155 CE LYS A 12 5.709 -11.640 -9.691 1.00 55.23 C ATOM 156 NZ LYS A 12 4.419 -12.329 -9.979 1.00 30.21 N ATOM 0 H LYS A 12 8.181 -12.508 -4.334 1.00 75.22 H new ATOM 0 HA LYS A 12 5.831 -11.517 -5.550 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.957 -12.668 -6.519 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.168 -14.178 -6.108 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.742 -13.702 -8.434 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.234 -13.541 -7.555 1.00 64.45 H new ATOM 0 HD2 LYS A 12 5.299 -11.153 -7.640 1.00 25.11 H new ATOM 0 HD3 LYS A 12 7.001 -11.125 -8.055 1.00 25.11 H new ATOM 0 HE2 LYS A 12 5.646 -10.605 -10.026 1.00 55.23 H new ATOM 0 HE3 LYS A 12 6.506 -12.113 -10.265 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 4.186 -12.222 -10.987 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 4.506 -13.339 -9.749 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 3.664 -11.907 -9.402 1.00 30.21 H new ATOM 170 N ILE A 13 5.581 -14.405 -3.942 1.00 44.14 N ATOM 171 CA ILE A 13 4.648 -15.340 -3.312 1.00 31.13 C ATOM 172 C ILE A 13 3.780 -14.625 -2.278 1.00 54.15 C ATOM 173 O ILE A 13 2.557 -14.759 -2.280 1.00 11.24 O ATOM 174 CB ILE A 13 5.400 -16.503 -2.608 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.217 -17.327 -3.616 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.423 -17.404 -1.846 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.378 -18.168 -4.552 1.00 1.42 C ATOM 0 H ILE A 13 6.563 -14.642 -3.801 1.00 44.14 H new ATOM 0 HA ILE A 13 4.020 -15.746 -4.105 1.00 31.13 H new ATOM 0 HB ILE A 13 6.092 -16.062 -1.891 1.00 33.44 H new ATOM 0 HG12 ILE A 13 6.833 -16.650 -4.207 1.00 4.41 H new ATOM 0 HG13 ILE A 13 6.896 -17.980 -3.069 1.00 4.41 H new ATOM 0 HG21 ILE A 13 4.974 -18.210 -1.362 1.00 34.00 H new ATOM 0 HG22 ILE A 13 3.900 -16.817 -1.091 1.00 34.00 H new ATOM 0 HG23 ILE A 13 3.699 -17.826 -2.543 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.030 -18.718 -5.231 1.00 1.42 H new ATOM 0 HD12 ILE A 13 4.781 -18.872 -3.972 1.00 1.42 H new ATOM 0 HD13 ILE A 13 4.717 -17.521 -5.129 1.00 1.42 H new ATOM 189 N ALA A 14 4.429 -13.866 -1.402 1.00 10.43 N ATOM 190 CA ALA A 14 3.746 -13.170 -0.318 1.00 65.03 C ATOM 191 C ALA A 14 2.652 -12.242 -0.858 1.00 45.24 C ATOM 192 O ALA A 14 1.501 -12.299 -0.416 1.00 22.51 O ATOM 193 CB ALA A 14 4.746 -12.395 0.531 1.00 21.21 C ATOM 0 H ALA A 14 5.438 -13.716 -1.423 1.00 10.43 H new ATOM 0 HA ALA A 14 3.264 -13.916 0.313 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.219 -11.881 1.335 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.474 -13.086 0.957 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.261 -11.663 -0.091 1.00 21.21 H new ATOM 199 N ALA A 15 3.009 -11.403 -1.834 1.00 74.24 N ATOM 200 CA ALA A 15 2.052 -10.476 -2.440 1.00 32.11 C ATOM 201 C ALA A 15 0.970 -11.235 -3.212 1.00 51.43 C ATOM 202 O ALA A 15 -0.217 -10.927 -3.105 1.00 74.42 O ATOM 203 CB ALA A 15 2.775 -9.492 -3.357 1.00 53.00 C ATOM 0 H ALA A 15 3.951 -11.347 -2.220 1.00 74.24 H new ATOM 0 HA ALA A 15 1.566 -9.916 -1.641 1.00 32.11 H new ATOM 0 HB1 ALA A 15 2.051 -8.809 -3.801 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.503 -8.923 -2.779 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.288 -10.040 -4.147 1.00 53.00 H new ATOM 209 N TRP A 16 1.408 -12.233 -3.972 1.00 42.31 N ATOM 210 CA TRP A 16 0.520 -13.089 -4.766 1.00 14.44 C ATOM 211 C TRP A 16 -0.564 -13.728 -3.894 1.00 61.31 C ATOM 212 O TRP A 16 -1.742 -13.739 -4.252 1.00 4.24 O ATOM 213 CB TRP A 16 1.387 -14.150 -5.469 1.00 24.40 C ATOM 214 CG TRP A 16 0.686 -15.405 -5.905 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.198 -15.554 -6.930 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.869 -16.711 -5.339 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.584 -16.870 -7.034 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.057 -17.598 -6.061 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.637 -17.207 -4.285 1.00 71.50 C ATOM 220 CZ2 TRP A 16 -0.002 -18.961 -5.764 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.577 -18.554 -3.991 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.760 -19.417 -4.728 1.00 12.14 C ATOM 0 H TRP A 16 2.395 -12.476 -4.058 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.005 -12.493 -5.512 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.843 -13.691 -6.346 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.198 -14.428 -4.796 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.545 -14.755 -7.568 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.239 -17.244 -7.721 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.268 -16.547 -3.708 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.629 -19.631 -6.334 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.170 -18.948 -3.179 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.732 -20.466 -4.472 1.00 12.14 H new ATOM 233 N LEU A 17 -0.153 -14.239 -2.743 1.00 61.21 N ATOM 234 CA LEU A 17 -1.074 -14.860 -1.798 1.00 62.45 C ATOM 235 C LEU A 17 -1.952 -13.813 -1.119 1.00 2.03 C ATOM 236 O LEU A 17 -3.175 -13.953 -1.071 1.00 1.20 O ATOM 237 CB LEU A 17 -0.287 -15.673 -0.754 1.00 54.03 C ATOM 238 CG LEU A 17 -0.282 -17.192 -0.992 1.00 44.41 C ATOM 239 CD1 LEU A 17 0.786 -17.876 -0.147 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.659 -17.773 -0.689 1.00 20.20 C ATOM 0 H LEU A 17 0.820 -14.236 -2.438 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.730 -15.535 -2.347 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.743 -15.318 -0.739 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.707 -15.475 0.232 1.00 54.03 H new ATOM 0 HG LEU A 17 -0.045 -17.375 -2.040 1.00 44.41 H new ATOM 0 HD11 LEU A 17 0.767 -18.949 -0.335 1.00 31.01 H new ATOM 0 HD12 LEU A 17 1.767 -17.479 -0.409 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.589 -17.689 0.909 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.646 -18.849 -0.861 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.917 -17.575 0.351 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.400 -17.311 -1.341 1.00 20.20 H new ATOM 252 N ASN A 18 -1.323 -12.758 -0.619 1.00 65.13 N ATOM 253 CA ASN A 18 -2.030 -11.696 0.098 1.00 45.11 C ATOM 254 C ASN A 18 -3.034 -10.986 -0.814 1.00 52.24 C ATOM 255 O ASN A 18 -3.998 -10.376 -0.346 1.00 12.31 O ATOM 256 CB ASN A 18 -1.024 -10.694 0.674 1.00 44.01 C ATOM 257 CG ASN A 18 -1.686 -9.622 1.521 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.766 -9.727 2.746 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.193 -8.602 0.864 1.00 62.40 N ATOM 0 H ASN A 18 -0.317 -12.611 -0.696 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.589 -12.149 0.917 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.291 -11.228 1.279 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.480 -10.221 -0.143 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -2.675 -7.859 1.369 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -2.104 -8.554 -0.151 1.00 62.40 H new ATOM 266 N ALA A 19 -2.804 -11.069 -2.121 1.00 61.24 N ATOM 267 CA ALA A 19 -3.709 -10.474 -3.099 1.00 24.21 C ATOM 268 C ALA A 19 -5.003 -11.279 -3.207 1.00 11.54 C ATOM 269 O ALA A 19 -6.063 -10.731 -3.521 1.00 11.42 O ATOM 270 CB ALA A 19 -3.026 -10.368 -4.458 1.00 61.32 C ATOM 0 H ALA A 19 -1.998 -11.543 -2.528 1.00 61.24 H new ATOM 0 HA ALA A 19 -3.966 -9.470 -2.760 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.713 -9.922 -5.177 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.137 -9.743 -4.371 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.738 -11.362 -4.799 1.00 61.32 H new ATOM 276 N GLY A 20 -4.909 -12.581 -2.946 1.00 74.52 N ATOM 277 CA GLY A 20 -6.075 -13.451 -3.006 1.00 23.12 C ATOM 278 C GLY A 20 -6.695 -13.680 -1.642 1.00 55.43 C ATOM 279 O GLY A 20 -7.895 -13.941 -1.531 1.00 43.31 O ATOM 0 H GLY A 20 -4.041 -13.052 -2.692 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.819 -13.012 -3.671 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.788 -14.410 -3.437 1.00 23.12 H new ATOM 283 N TYR A 21 -5.874 -13.581 -0.601 1.00 62.21 N ATOM 284 CA TYR A 21 -6.324 -13.747 0.777 1.00 10.20 C ATOM 285 C TYR A 21 -5.791 -12.600 1.638 1.00 4.45 C ATOM 286 O TYR A 21 -4.739 -12.726 2.268 1.00 64.21 O ATOM 287 CB TYR A 21 -5.850 -15.094 1.347 1.00 61.50 C ATOM 288 CG TYR A 21 -6.485 -16.313 0.706 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.805 -16.647 0.987 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.767 -17.148 -0.157 1.00 62.43 C ATOM 291 CE1 TYR A 21 -8.392 -17.762 0.432 1.00 44.33 C ATOM 292 CE2 TYR A 21 -6.357 -18.264 -0.720 1.00 2.43 C ATOM 293 CZ TYR A 21 -7.669 -18.568 -0.422 1.00 65.41 C ATOM 294 OH TYR A 21 -8.268 -19.673 -0.986 1.00 73.14 O ATOM 0 H TYR A 21 -4.877 -13.383 -0.689 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.414 -13.733 0.789 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.768 -15.162 1.231 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.058 -15.113 2.417 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.380 -16.021 1.653 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.737 -16.917 -0.387 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -9.418 -18.005 0.665 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -5.793 -18.895 -1.391 1.00 2.43 H new ATOM 0 HH TYR A 21 -8.573 -19.453 -1.891 1.00 73.14 H new ATOM 304 N PRO A 22 -6.500 -11.452 1.655 1.00 33.03 N ATOM 305 CA PRO A 22 -6.054 -10.244 2.370 1.00 62.52 C ATOM 306 C PRO A 22 -6.119 -10.372 3.899 1.00 1.51 C ATOM 307 O PRO A 22 -5.402 -9.660 4.611 1.00 55.41 O ATOM 308 CB PRO A 22 -7.033 -9.166 1.874 1.00 44.14 C ATOM 309 CG PRO A 22 -8.261 -9.917 1.491 1.00 13.52 C ATOM 310 CD PRO A 22 -7.781 -11.237 0.952 1.00 34.34 C ATOM 0 HA PRO A 22 -5.005 -10.027 2.169 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.244 -8.434 2.653 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.623 -8.619 1.025 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -8.916 -10.060 2.350 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.834 -9.373 0.740 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.492 -12.037 1.159 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.645 -11.203 -0.129 1.00 34.34 H new ATOM 318 N GLU A 23 -6.982 -11.251 4.408 1.00 61.20 N ATOM 319 CA GLU A 23 -7.145 -11.410 5.861 1.00 14.11 C ATOM 320 C GLU A 23 -6.677 -12.786 6.335 1.00 1.14 C ATOM 321 O GLU A 23 -6.182 -12.930 7.455 1.00 3.25 O ATOM 322 CB GLU A 23 -8.603 -11.165 6.295 1.00 54.54 C ATOM 323 CG GLU A 23 -9.624 -12.128 5.696 1.00 45.01 C ATOM 324 CD GLU A 23 -9.850 -11.902 4.213 1.00 53.32 C ATOM 325 OE1 GLU A 23 -10.548 -10.930 3.855 1.00 44.43 O ATOM 326 OE2 GLU A 23 -9.319 -12.686 3.400 1.00 54.44 O ATOM 0 H GLU A 23 -7.576 -11.861 3.846 1.00 61.20 H new ATOM 0 HA GLU A 23 -6.515 -10.656 6.333 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -8.659 -11.230 7.382 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -8.882 -10.147 6.022 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.287 -13.152 5.855 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.572 -12.019 6.223 1.00 45.01 H new ATOM 333 N GLY A 24 -6.846 -13.795 5.491 1.00 55.34 N ATOM 334 CA GLY A 24 -6.430 -15.139 5.839 1.00 5.42 C ATOM 335 C GLY A 24 -7.013 -16.169 4.900 1.00 72.15 C ATOM 336 O GLY A 24 -7.822 -15.838 4.034 1.00 1.40 O ATOM 0 H GLY A 24 -7.266 -13.705 4.566 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.342 -15.200 5.815 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.739 -15.362 6.860 1.00 5.42 H new ATOM 340 N VAL A 25 -6.610 -17.421 5.078 1.00 31.52 N ATOM 341 CA VAL A 25 -7.070 -18.520 4.230 1.00 42.05 C ATOM 342 C VAL A 25 -7.720 -19.592 5.111 1.00 51.00 C ATOM 343 O VAL A 25 -7.198 -19.895 6.183 1.00 41.02 O ATOM 344 CB VAL A 25 -5.889 -19.162 3.445 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.372 -20.006 2.274 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.867 -18.117 3.005 1.00 50.32 C ATOM 0 H VAL A 25 -5.958 -17.705 5.810 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.787 -18.122 3.512 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.383 -19.838 4.134 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.514 -20.434 1.756 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -7.010 -20.809 2.643 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.938 -19.381 1.584 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -4.059 -18.605 2.460 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.350 -17.385 2.358 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.461 -17.613 3.882 1.00 50.32 H new ATOM 356 N PRO A 26 -8.858 -20.173 4.692 1.00 73.25 N ATOM 357 CA PRO A 26 -9.497 -21.252 5.451 1.00 54.21 C ATOM 358 C PRO A 26 -8.703 -22.558 5.342 1.00 64.34 C ATOM 359 O PRO A 26 -7.946 -22.754 4.389 1.00 2.12 O ATOM 360 CB PRO A 26 -10.877 -21.385 4.799 1.00 23.03 C ATOM 361 CG PRO A 26 -10.689 -20.890 3.404 1.00 64.34 C ATOM 362 CD PRO A 26 -9.610 -19.834 3.464 1.00 63.21 C ATOM 0 HA PRO A 26 -9.553 -21.038 6.518 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.221 -22.419 4.809 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.624 -20.796 5.331 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.398 -21.704 2.740 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.617 -20.474 3.012 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.971 -19.864 2.582 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -10.033 -18.831 3.517 1.00 63.21 H new ATOM 370 N GLY A 27 -8.894 -23.445 6.316 1.00 3.45 N ATOM 371 CA GLY A 27 -8.154 -24.703 6.375 1.00 3.53 C ATOM 372 C GLY A 27 -8.178 -25.507 5.074 1.00 40.15 C ATOM 373 O GLY A 27 -7.111 -25.889 4.569 1.00 54.14 O ATOM 0 H GLY A 27 -9.559 -23.314 7.079 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.118 -24.490 6.638 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.566 -25.317 7.176 1.00 3.53 H new ATOM 377 N PRO A 28 -9.375 -25.766 4.493 1.00 4.10 N ATOM 378 CA PRO A 28 -9.509 -26.609 3.290 1.00 31.40 C ATOM 379 C PRO A 28 -8.803 -26.009 2.078 1.00 1.42 C ATOM 380 O PRO A 28 -8.597 -26.692 1.078 1.00 5.10 O ATOM 381 CB PRO A 28 -11.026 -26.684 3.060 1.00 12.20 C ATOM 382 CG PRO A 28 -11.571 -25.479 3.742 1.00 51.25 C ATOM 383 CD PRO A 28 -10.689 -25.256 4.939 1.00 54.20 C ATOM 0 HA PRO A 28 -9.046 -27.586 3.427 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.266 -26.680 1.997 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.445 -27.599 3.478 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -11.557 -24.614 3.079 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.607 -25.634 4.042 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.640 -24.202 5.212 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -11.054 -25.795 5.813 1.00 54.20 H new ATOM 391 N ASP A 29 -8.446 -24.730 2.168 1.00 63.12 N ATOM 392 CA ASP A 29 -7.657 -24.077 1.129 1.00 75.13 C ATOM 393 C ASP A 29 -6.192 -24.012 1.556 1.00 41.35 C ATOM 394 O ASP A 29 -5.296 -24.062 0.716 1.00 20.04 O ATOM 395 CB ASP A 29 -8.181 -22.662 0.829 1.00 13.15 C ATOM 396 CG ASP A 29 -9.469 -22.653 0.015 1.00 11.41 C ATOM 397 OD1 ASP A 29 -9.405 -22.862 -1.215 1.00 42.44 O ATOM 398 OD2 ASP A 29 -10.550 -22.416 0.594 1.00 33.11 O ATOM 0 H ASP A 29 -8.692 -24.125 2.952 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.746 -24.667 0.217 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.351 -22.139 1.770 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.415 -22.106 0.289 1.00 13.15 H new ATOM 403 N ARG A 30 -5.950 -23.933 2.868 1.00 54.40 N ATOM 404 CA ARG A 30 -4.589 -23.812 3.394 1.00 24.35 C ATOM 405 C ARG A 30 -3.776 -25.077 3.151 1.00 11.25 C ATOM 406 O ARG A 30 -2.636 -24.998 2.685 1.00 45.02 O ATOM 407 CB ARG A 30 -4.585 -23.482 4.898 1.00 44.21 C ATOM 408 CG ARG A 30 -5.058 -22.071 5.212 1.00 23.22 C ATOM 409 CD ARG A 30 -4.657 -21.605 6.611 1.00 3.15 C ATOM 410 NE ARG A 30 -3.200 -21.537 6.774 1.00 71.13 N ATOM 411 CZ ARG A 30 -2.400 -20.691 6.111 1.00 23.15 C ATOM 412 NH1 ARG A 30 -2.908 -19.814 5.251 1.00 65.41 N ATOM 413 NH2 ARG A 30 -1.091 -20.727 6.322 1.00 74.54 N ATOM 0 H ARG A 30 -6.677 -23.951 3.583 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.125 -22.987 2.853 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.223 -24.195 5.420 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.576 -23.613 5.288 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.646 -21.383 4.474 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.143 -22.028 5.118 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -5.089 -20.623 6.803 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -5.073 -22.287 7.353 1.00 3.15 H new ATOM 0 HE ARG A 30 -2.766 -22.178 7.438 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.915 -19.781 5.091 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -2.291 -19.174 4.751 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -0.700 -21.396 6.985 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -0.476 -20.086 5.821 1.00 74.54 H new ATOM 427 N VAL A 31 -4.351 -26.237 3.465 1.00 12.44 N ATOM 428 CA VAL A 31 -3.620 -27.501 3.313 1.00 14.30 C ATOM 429 C VAL A 31 -3.158 -27.694 1.855 1.00 1.22 C ATOM 430 O VAL A 31 -1.972 -27.927 1.602 1.00 3.34 O ATOM 431 CB VAL A 31 -4.442 -28.737 3.784 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.610 -30.012 3.675 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.939 -28.559 5.216 1.00 61.25 C ATOM 0 H VAL A 31 -5.303 -26.332 3.820 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.747 -27.431 3.962 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.309 -28.824 3.129 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.203 -30.863 4.009 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.310 -30.163 2.638 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.722 -29.921 4.300 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.509 -29.438 5.515 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.087 -28.434 5.884 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.577 -27.677 5.273 1.00 61.25 H new ATOM 443 N PRO A 32 -4.078 -27.591 0.861 1.00 64.13 N ATOM 444 CA PRO A 32 -3.708 -27.705 -0.554 1.00 15.21 C ATOM 445 C PRO A 32 -2.846 -26.533 -1.033 1.00 21.04 C ATOM 446 O PRO A 32 -2.016 -26.703 -1.926 1.00 13.40 O ATOM 447 CB PRO A 32 -5.057 -27.728 -1.285 1.00 64.15 C ATOM 448 CG PRO A 32 -5.989 -27.029 -0.367 1.00 73.12 C ATOM 449 CD PRO A 32 -5.534 -27.383 1.024 1.00 53.53 C ATOM 0 HA PRO A 32 -3.100 -28.590 -0.742 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -4.995 -27.222 -2.248 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.385 -28.749 -1.482 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.960 -25.951 -0.526 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.017 -27.348 -0.536 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.750 -26.584 1.734 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.030 -28.280 1.394 1.00 53.53 H new ATOM 457 N LEU A 33 -3.047 -25.350 -0.445 1.00 51.45 N ATOM 458 CA LEU A 33 -2.231 -24.180 -0.786 1.00 71.25 C ATOM 459 C LEU A 33 -0.760 -24.495 -0.521 1.00 22.31 C ATOM 460 O LEU A 33 0.099 -24.313 -1.389 1.00 14.43 O ATOM 461 CB LEU A 33 -2.688 -22.943 0.031 1.00 44.31 C ATOM 462 CG LEU A 33 -2.078 -21.576 -0.359 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.689 -21.388 0.248 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.028 -21.420 -1.880 1.00 5.41 C ATOM 0 H LEU A 33 -3.761 -25.177 0.263 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.358 -23.946 -1.843 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.772 -22.865 -0.051 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.460 -23.128 1.081 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.725 -20.799 0.048 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.291 -20.417 -0.047 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.757 -21.437 1.335 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.026 -22.176 -0.110 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.596 -20.452 -2.132 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.415 -22.214 -2.307 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.038 -21.483 -2.286 1.00 5.41 H new ATOM 476 N LEU A 34 -0.484 -25.019 0.666 1.00 52.24 N ATOM 477 CA LEU A 34 0.874 -25.392 1.028 1.00 54.12 C ATOM 478 C LEU A 34 1.337 -26.565 0.193 1.00 50.24 C ATOM 479 O LEU A 34 2.486 -26.605 -0.239 1.00 13.00 O ATOM 480 CB LEU A 34 0.985 -25.725 2.520 1.00 2.21 C ATOM 481 CG LEU A 34 1.510 -24.579 3.394 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.926 -24.198 2.965 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.566 -23.376 3.326 1.00 74.02 C ATOM 0 H LEU A 34 -1.180 -25.194 1.391 1.00 52.24 H new ATOM 0 HA LEU A 34 1.519 -24.537 0.828 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.002 -26.023 2.886 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.643 -26.586 2.639 1.00 2.21 H new ATOM 0 HG LEU A 34 1.547 -24.913 4.431 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.289 -23.384 3.592 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.584 -25.061 3.074 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.917 -23.878 1.923 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.954 -22.573 3.952 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.492 -23.029 2.295 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.422 -23.668 3.682 1.00 74.02 H new ATOM 495 N ALA A 35 0.442 -27.522 -0.035 1.00 22.33 N ATOM 496 CA ALA A 35 0.758 -28.664 -0.881 1.00 2.14 C ATOM 497 C ALA A 35 1.194 -28.190 -2.269 1.00 71.13 C ATOM 498 O ALA A 35 2.068 -28.786 -2.898 1.00 71.44 O ATOM 499 CB ALA A 35 -0.435 -29.607 -0.983 1.00 72.12 C ATOM 0 H ALA A 35 -0.502 -27.528 0.352 1.00 22.33 H new ATOM 0 HA ALA A 35 1.583 -29.213 -0.427 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.177 -30.453 -1.620 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.699 -29.968 0.011 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.284 -29.075 -1.413 1.00 72.12 H new ATOM 505 N LEU A 36 0.573 -27.106 -2.726 1.00 60.32 N ATOM 506 CA LEU A 36 0.885 -26.503 -4.019 1.00 5.22 C ATOM 507 C LEU A 36 2.263 -25.817 -3.972 1.00 32.42 C ATOM 508 O LEU A 36 3.091 -25.999 -4.865 1.00 24.53 O ATOM 509 CB LEU A 36 -0.241 -25.514 -4.413 1.00 43.41 C ATOM 510 CG LEU A 36 -0.250 -24.999 -5.871 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.780 -23.888 -6.074 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.002 -26.148 -6.847 1.00 70.30 C ATOM 0 H LEU A 36 -0.161 -26.621 -2.210 1.00 60.32 H new ATOM 0 HA LEU A 36 0.938 -27.278 -4.784 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.199 -25.998 -4.219 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.180 -24.651 -3.750 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.236 -24.581 -6.071 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.749 -23.548 -7.109 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.551 -23.054 -5.411 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.776 -24.269 -5.847 1.00 3.22 H new ATOM 0 HD21 LEU A 36 -0.008 -25.767 -7.868 1.00 70.30 H new ATOM 0 HD22 LEU A 36 0.972 -26.598 -6.637 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.779 -26.900 -6.733 1.00 70.30 H new ATOM 524 N LEU A 37 2.506 -25.040 -2.917 1.00 22.00 N ATOM 525 CA LEU A 37 3.769 -24.299 -2.775 1.00 0.21 C ATOM 526 C LEU A 37 4.973 -25.229 -2.554 1.00 50.35 C ATOM 527 O LEU A 37 6.004 -25.091 -3.219 1.00 73.01 O ATOM 528 CB LEU A 37 3.674 -23.280 -1.621 1.00 72.43 C ATOM 529 CG LEU A 37 3.070 -21.912 -1.984 1.00 43.44 C ATOM 530 CD1 LEU A 37 1.665 -22.053 -2.557 1.00 4.05 C ATOM 531 CD2 LEU A 37 3.072 -20.979 -0.772 1.00 24.13 C ATOM 0 H LEU A 37 1.850 -24.904 -2.148 1.00 22.00 H new ATOM 0 HA LEU A 37 3.931 -23.770 -3.714 1.00 0.21 H new ATOM 0 HB2 LEU A 37 3.077 -23.719 -0.822 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.675 -23.119 -1.220 1.00 72.43 H new ATOM 0 HG LEU A 37 3.697 -21.471 -2.759 1.00 43.44 H new ATOM 0 HD11 LEU A 37 1.271 -21.067 -2.801 1.00 4.05 H new ATOM 0 HD12 LEU A 37 1.700 -22.664 -3.459 1.00 4.05 H new ATOM 0 HD13 LEU A 37 1.018 -22.530 -1.821 1.00 4.05 H new ATOM 0 HD21 LEU A 37 2.641 -20.018 -1.052 1.00 24.13 H new ATOM 0 HD22 LEU A 37 2.481 -21.422 0.029 1.00 24.13 H new ATOM 0 HD23 LEU A 37 4.096 -20.831 -0.429 1.00 24.13 H new ATOM 543 N THR A 38 4.825 -26.190 -1.647 1.00 10.21 N ATOM 544 CA THR A 38 5.937 -27.043 -1.211 1.00 5.04 C ATOM 545 C THR A 38 6.494 -27.891 -2.353 1.00 62.54 C ATOM 546 O THR A 38 7.529 -28.547 -2.206 1.00 50.11 O ATOM 547 CB THR A 38 5.522 -27.968 -0.038 1.00 61.23 C ATOM 548 OG1 THR A 38 4.323 -28.682 -0.374 1.00 1.52 O ATOM 549 CG2 THR A 38 5.303 -27.169 1.243 1.00 31.33 C ATOM 0 H THR A 38 3.937 -26.403 -1.193 1.00 10.21 H new ATOM 0 HA THR A 38 6.720 -26.366 -0.869 1.00 5.04 H new ATOM 0 HB THR A 38 6.332 -28.677 0.134 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.550 -28.088 -0.274 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.013 -27.844 2.048 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.226 -26.656 1.514 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.513 -26.435 1.083 1.00 31.33 H new ATOM 557 N ARG A 39 5.791 -27.890 -3.482 1.00 14.25 N ATOM 558 CA ARG A 39 6.227 -28.619 -4.663 1.00 24.04 C ATOM 559 C ARG A 39 7.614 -28.158 -5.108 1.00 71.34 C ATOM 560 O ARG A 39 8.505 -28.982 -5.328 1.00 72.22 O ATOM 561 CB ARG A 39 5.213 -28.444 -5.800 1.00 54.52 C ATOM 562 CG ARG A 39 3.822 -28.974 -5.465 1.00 31.23 C ATOM 563 CD ARG A 39 3.852 -30.450 -5.078 1.00 22.04 C ATOM 564 NE ARG A 39 4.230 -31.304 -6.203 1.00 23.20 N ATOM 565 CZ ARG A 39 4.859 -32.475 -6.085 1.00 2.41 C ATOM 566 NH1 ARG A 39 5.294 -32.891 -4.900 1.00 33.22 N ATOM 567 NH2 ARG A 39 5.079 -33.217 -7.161 1.00 12.20 N ATOM 0 H ARG A 39 4.911 -27.388 -3.601 1.00 14.25 H new ATOM 0 HA ARG A 39 6.288 -29.677 -4.408 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.139 -27.386 -6.050 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.584 -28.956 -6.688 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.400 -28.393 -4.645 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.165 -28.837 -6.324 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.557 -30.596 -4.259 1.00 22.04 H new ATOM 0 HD3 ARG A 39 2.870 -30.748 -4.710 1.00 22.04 H new ATOM 0 HE ARG A 39 3.997 -30.983 -7.143 1.00 23.20 H new ATOM 0 HH11 ARG A 39 5.148 -32.314 -4.072 1.00 33.22 H new ATOM 0 HH12 ARG A 39 5.774 -33.787 -4.819 1.00 33.22 H new ATOM 0 HH21 ARG A 39 4.768 -32.893 -8.077 1.00 12.20 H new ATOM 0 HH22 ARG A 39 5.560 -34.112 -7.073 1.00 12.20 H new ATOM 581 N ARG A 40 7.798 -26.843 -5.254 1.00 53.35 N ATOM 582 CA ARG A 40 9.089 -26.294 -5.669 1.00 42.31 C ATOM 583 C ARG A 40 9.746 -25.449 -4.569 1.00 74.53 C ATOM 584 O ARG A 40 10.966 -25.287 -4.563 1.00 12.24 O ATOM 585 CB ARG A 40 8.894 -25.462 -6.936 1.00 64.35 C ATOM 586 CG ARG A 40 8.100 -26.202 -8.005 1.00 51.10 C ATOM 587 CD ARG A 40 7.939 -25.374 -9.262 1.00 53.50 C ATOM 588 NE ARG A 40 9.212 -25.223 -9.976 1.00 44.33 N ATOM 589 CZ ARG A 40 9.326 -24.986 -11.287 1.00 71.12 C ATOM 590 NH1 ARG A 40 8.245 -24.830 -12.041 1.00 73.41 N ATOM 591 NH2 ARG A 40 10.531 -24.909 -11.846 1.00 72.30 N ATOM 0 H ARG A 40 7.073 -26.144 -5.092 1.00 53.35 H new ATOM 0 HA ARG A 40 9.763 -27.127 -5.867 1.00 42.31 H new ATOM 0 HB2 ARG A 40 8.379 -24.535 -6.682 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.868 -25.185 -7.338 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.603 -27.138 -8.248 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.117 -26.462 -7.613 1.00 51.10 H new ATOM 0 HD2 ARG A 40 7.207 -25.846 -9.918 1.00 53.50 H new ATOM 0 HD3 ARG A 40 7.548 -24.390 -9.003 1.00 53.50 H new ATOM 0 HE ARG A 40 10.072 -25.305 -9.433 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.317 -24.891 -11.621 1.00 73.41 H new ATOM 0 HH12 ARG A 40 8.342 -24.650 -13.040 1.00 73.41 H new ATOM 0 HH21 ARG A 40 11.367 -25.031 -11.275 1.00 72.30 H new ATOM 0 HH22 ARG A 40 10.619 -24.728 -12.846 1.00 72.30 H new ATOM 605 N LEU A 41 8.945 -24.908 -3.645 1.00 34.24 N ATOM 606 CA LEU A 41 9.489 -24.085 -2.558 1.00 61.12 C ATOM 607 C LEU A 41 10.225 -24.955 -1.540 1.00 73.41 C ATOM 608 O LEU A 41 9.720 -25.999 -1.116 1.00 54.35 O ATOM 609 CB LEU A 41 8.382 -23.275 -1.845 1.00 3.20 C ATOM 610 CG LEU A 41 7.928 -21.982 -2.553 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.129 -22.295 -3.805 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.114 -21.099 -1.604 1.00 65.23 C ATOM 0 H LEU A 41 7.932 -25.022 -3.626 1.00 34.24 H new ATOM 0 HA LEU A 41 10.191 -23.382 -3.007 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.513 -23.920 -1.717 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.735 -23.015 -0.847 1.00 3.20 H new ATOM 0 HG LEU A 41 8.822 -21.435 -2.851 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.822 -21.365 -4.283 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.745 -22.872 -4.495 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.245 -22.874 -3.537 1.00 35.11 H new ATOM 0 HD21 LEU A 41 6.805 -20.193 -2.125 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.232 -21.643 -1.268 1.00 65.23 H new ATOM 0 HD23 LEU A 41 7.725 -20.831 -0.742 1.00 65.23 H new ATOM 624 N THR A 42 11.419 -24.517 -1.151 1.00 74.31 N ATOM 625 CA THR A 42 12.202 -25.201 -0.127 1.00 41.11 C ATOM 626 C THR A 42 11.662 -24.872 1.262 1.00 41.00 C ATOM 627 O THR A 42 10.842 -23.961 1.413 1.00 32.31 O ATOM 628 CB THR A 42 13.685 -24.781 -0.195 1.00 51.30 C ATOM 629 OG1 THR A 42 13.796 -23.368 0.034 1.00 51.23 O ATOM 630 CG2 THR A 42 14.290 -25.123 -1.553 1.00 74.30 C ATOM 0 H THR A 42 11.868 -23.685 -1.533 1.00 74.31 H new ATOM 0 HA THR A 42 12.123 -26.272 -0.311 1.00 41.11 H new ATOM 0 HB THR A 42 14.231 -25.327 0.574 1.00 51.30 H new ATOM 0 HG1 THR A 42 13.718 -22.891 -0.819 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.336 -24.816 -1.573 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.224 -26.198 -1.720 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.743 -24.600 -2.337 1.00 74.30 H new ATOM 638 N ASN A 43 12.127 -25.606 2.272 1.00 61.44 N ATOM 639 CA ASN A 43 11.765 -25.320 3.657 1.00 23.11 C ATOM 640 C ASN A 43 12.199 -23.895 4.024 1.00 72.30 C ATOM 641 O ASN A 43 11.481 -23.166 4.717 1.00 71.12 O ATOM 642 CB ASN A 43 12.410 -26.338 4.607 1.00 34.35 C ATOM 643 CG ASN A 43 11.918 -26.198 6.042 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.494 -25.461 6.839 1.00 54.24 O ATOM 645 ND2 ASN A 43 10.853 -26.910 6.387 1.00 61.42 N ATOM 0 H ASN A 43 12.754 -26.402 2.156 1.00 61.44 H new ATOM 0 HA ASN A 43 10.683 -25.399 3.760 1.00 23.11 H new ATOM 0 HB2 ASN A 43 12.197 -27.346 4.251 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.493 -26.214 4.585 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.489 -26.855 7.338 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.398 -27.512 5.701 1.00 61.42 H new ATOM 652 N ASP A 44 13.368 -23.505 3.521 1.00 0.21 N ATOM 653 CA ASP A 44 13.880 -22.145 3.693 1.00 22.12 C ATOM 654 C ASP A 44 12.882 -21.119 3.163 1.00 42.40 C ATOM 655 O ASP A 44 12.562 -20.135 3.835 1.00 60.34 O ATOM 656 CB ASP A 44 15.220 -21.997 2.955 1.00 1.30 C ATOM 657 CG ASP A 44 15.711 -20.555 2.895 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.309 -20.079 3.880 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.508 -19.887 1.854 1.00 4.40 O ATOM 0 H ASP A 44 13.984 -24.117 2.986 1.00 0.21 H new ATOM 0 HA ASP A 44 14.029 -21.964 4.758 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.972 -22.611 3.452 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.114 -22.381 1.941 1.00 1.30 H new ATOM 664 N GLU A 45 12.381 -21.368 1.958 1.00 2.43 N ATOM 665 CA GLU A 45 11.484 -20.436 1.286 1.00 12.41 C ATOM 666 C GLU A 45 10.108 -20.373 1.959 1.00 74.32 C ATOM 667 O GLU A 45 9.585 -19.278 2.205 1.00 52.21 O ATOM 668 CB GLU A 45 11.379 -20.808 -0.199 1.00 10.44 C ATOM 669 CG GLU A 45 12.679 -20.544 -0.953 1.00 2.34 C ATOM 670 CD GLU A 45 12.682 -21.073 -2.373 1.00 2.35 C ATOM 671 OE1 GLU A 45 13.085 -22.235 -2.568 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.328 -20.319 -3.303 1.00 64.14 O ATOM 0 H GLU A 45 12.583 -22.213 1.424 1.00 2.43 H new ATOM 0 HA GLU A 45 11.902 -19.433 1.367 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.116 -21.862 -0.290 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.572 -20.237 -0.659 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.863 -19.470 -0.975 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.505 -20.998 -0.405 1.00 2.34 H new ATOM 679 N ILE A 46 9.526 -21.530 2.278 1.00 40.25 N ATOM 680 CA ILE A 46 8.244 -21.550 2.980 1.00 2.42 C ATOM 681 C ILE A 46 8.373 -20.790 4.302 1.00 23.22 C ATOM 682 O ILE A 46 7.475 -20.031 4.679 1.00 2.24 O ATOM 683 CB ILE A 46 7.701 -22.998 3.210 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.410 -23.006 4.065 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.760 -23.887 3.843 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.637 -23.036 5.573 1.00 5.20 C ATOM 0 H ILE A 46 9.914 -22.449 2.066 1.00 40.25 H new ATOM 0 HA ILE A 46 7.510 -21.053 2.346 1.00 2.42 H new ATOM 0 HB ILE A 46 7.450 -23.400 2.228 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.823 -22.121 3.818 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.812 -23.873 3.785 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.354 -24.888 3.991 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.629 -23.941 3.187 1.00 60.40 H new ATOM 0 HG23 ILE A 46 9.057 -23.470 4.805 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.675 -23.040 6.086 1.00 5.20 H new ATOM 0 HD12 ILE A 46 7.194 -23.935 5.839 1.00 5.20 H new ATOM 0 HD13 ILE A 46 7.205 -22.155 5.873 1.00 5.20 H new ATOM 698 N LYS A 47 9.504 -20.982 4.994 1.00 61.14 N ATOM 699 CA LYS A 47 9.785 -20.229 6.215 1.00 33.02 C ATOM 700 C LYS A 47 9.832 -18.736 5.920 1.00 44.41 C ATOM 701 O LYS A 47 9.218 -17.936 6.623 1.00 14.11 O ATOM 702 CB LYS A 47 11.123 -20.644 6.837 1.00 63.24 C ATOM 703 CG LYS A 47 11.109 -21.970 7.588 1.00 43.11 C ATOM 704 CD LYS A 47 12.462 -22.210 8.258 1.00 45.04 C ATOM 705 CE LYS A 47 12.462 -23.438 9.158 1.00 73.15 C ATOM 706 NZ LYS A 47 11.577 -23.265 10.339 1.00 75.33 N ATOM 0 H LYS A 47 10.231 -21.647 4.729 1.00 61.14 H new ATOM 0 HA LYS A 47 8.982 -20.449 6.918 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.870 -20.701 6.046 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.445 -19.860 7.523 1.00 63.24 H new ATOM 0 HG2 LYS A 47 10.319 -21.963 8.339 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.886 -22.785 6.899 1.00 43.11 H new ATOM 0 HD2 LYS A 47 13.227 -22.327 7.491 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.732 -21.333 8.847 1.00 45.04 H new ATOM 0 HE2 LYS A 47 12.136 -24.307 8.586 1.00 73.15 H new ATOM 0 HE3 LYS A 47 13.479 -23.641 9.494 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 11.734 -24.046 11.008 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 11.793 -22.361 10.805 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 10.583 -23.267 10.032 1.00 75.33 H new ATOM 720 N ALA A 48 10.570 -18.374 4.874 1.00 32.32 N ATOM 721 CA ALA A 48 10.740 -16.975 4.488 1.00 3.50 C ATOM 722 C ALA A 48 9.387 -16.293 4.310 1.00 23.32 C ATOM 723 O ALA A 48 9.205 -15.142 4.711 1.00 52.32 O ATOM 724 CB ALA A 48 11.570 -16.873 3.213 1.00 43.35 C ATOM 0 H ALA A 48 11.063 -19.035 4.274 1.00 32.32 H new ATOM 0 HA ALA A 48 11.273 -16.460 5.288 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.688 -15.825 2.938 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.551 -17.317 3.381 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.065 -17.405 2.407 1.00 43.35 H new ATOM 730 N ILE A 49 8.435 -17.018 3.718 1.00 73.51 N ATOM 731 CA ILE A 49 7.072 -16.511 3.570 1.00 11.34 C ATOM 732 C ILE A 49 6.448 -16.226 4.937 1.00 32.52 C ATOM 733 O ILE A 49 5.769 -15.217 5.121 1.00 25.45 O ATOM 734 CB ILE A 49 6.175 -17.499 2.774 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.733 -17.702 1.357 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.734 -16.987 2.712 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.812 -16.421 0.552 1.00 74.30 C ATOM 0 H ILE A 49 8.583 -17.952 3.336 1.00 73.51 H new ATOM 0 HA ILE A 49 7.134 -15.580 3.006 1.00 11.34 H new ATOM 0 HB ILE A 49 6.176 -18.459 3.290 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.728 -18.141 1.426 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.105 -18.418 0.826 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.121 -17.692 2.151 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.339 -16.888 3.723 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.714 -16.016 2.218 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.214 -16.637 -0.438 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.815 -15.992 0.452 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.463 -15.711 1.061 1.00 74.30 H new ATOM 749 N ALA A 50 6.707 -17.105 5.902 1.00 21.02 N ATOM 750 CA ALA A 50 6.183 -16.932 7.254 1.00 1.35 C ATOM 751 C ALA A 50 6.790 -15.693 7.887 1.00 3.30 C ATOM 752 O ALA A 50 6.087 -14.829 8.405 1.00 40.12 O ATOM 753 CB ALA A 50 6.489 -18.157 8.106 1.00 61.30 C ATOM 0 H ALA A 50 7.275 -17.942 5.773 1.00 21.02 H new ATOM 0 HA ALA A 50 5.101 -16.812 7.197 1.00 1.35 H new ATOM 0 HB1 ALA A 50 6.091 -18.010 9.110 1.00 61.30 H new ATOM 0 HB2 ALA A 50 6.027 -19.037 7.658 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.568 -18.302 8.161 1.00 61.30 H new ATOM 759 N GLU A 51 8.108 -15.609 7.785 1.00 14.35 N ATOM 760 CA GLU A 51 8.891 -14.541 8.387 1.00 45.45 C ATOM 761 C GLU A 51 8.406 -13.171 7.909 1.00 61.23 C ATOM 762 O GLU A 51 8.369 -12.208 8.681 1.00 40.34 O ATOM 763 CB GLU A 51 10.368 -14.748 8.023 1.00 4.25 C ATOM 764 CG GLU A 51 10.950 -16.061 8.542 1.00 61.30 C ATOM 765 CD GLU A 51 11.328 -15.991 10.013 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.217 -15.179 10.363 1.00 71.15 O ATOM 767 OE2 GLU A 51 10.745 -16.734 10.830 1.00 71.41 O ATOM 0 H GLU A 51 8.671 -16.290 7.275 1.00 14.35 H new ATOM 0 HA GLU A 51 8.771 -14.571 9.470 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.473 -14.718 6.939 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.951 -13.919 8.423 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.223 -16.860 8.395 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.832 -16.320 7.956 1.00 61.30 H new ATOM 774 N ASP A 52 8.037 -13.096 6.635 1.00 54.12 N ATOM 775 CA ASP A 52 7.530 -11.857 6.051 1.00 62.53 C ATOM 776 C ASP A 52 6.090 -11.593 6.496 1.00 5.34 C ATOM 777 O ASP A 52 5.775 -10.521 7.018 1.00 13.14 O ATOM 778 CB ASP A 52 7.601 -11.917 4.519 1.00 51.25 C ATOM 779 CG ASP A 52 7.210 -10.597 3.866 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.088 -9.715 3.730 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.027 -10.435 3.497 1.00 61.55 O ATOM 0 H ASP A 52 8.079 -13.880 5.984 1.00 54.12 H new ATOM 0 HA ASP A 52 8.157 -11.038 6.403 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.613 -12.183 4.215 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.942 -12.707 4.158 1.00 51.25 H new ATOM 786 N LEU A 53 5.228 -12.593 6.316 1.00 34.00 N ATOM 787 CA LEU A 53 3.798 -12.450 6.606 1.00 31.15 C ATOM 788 C LEU A 53 3.527 -12.194 8.089 1.00 63.44 C ATOM 789 O LEU A 53 2.449 -11.719 8.448 1.00 24.44 O ATOM 790 CB LEU A 53 3.016 -13.690 6.144 1.00 23.10 C ATOM 791 CG LEU A 53 2.944 -13.901 4.622 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.106 -15.132 4.291 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.378 -12.664 3.921 1.00 2.44 C ATOM 0 H LEU A 53 5.494 -13.515 5.970 1.00 34.00 H new ATOM 0 HA LEU A 53 3.456 -11.578 6.048 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.470 -14.573 6.594 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.000 -13.622 6.532 1.00 23.10 H new ATOM 0 HG LEU A 53 3.958 -14.062 4.256 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.066 -15.265 3.210 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.556 -16.013 4.749 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.096 -14.999 4.677 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.338 -12.841 2.846 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.373 -12.463 4.293 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.019 -11.806 4.124 1.00 2.44 H new ATOM 805 N GLU A 54 4.490 -12.508 8.955 1.00 42.35 N ATOM 806 CA GLU A 54 4.333 -12.244 10.387 1.00 71.35 C ATOM 807 C GLU A 54 4.193 -10.743 10.650 1.00 51.43 C ATOM 808 O GLU A 54 3.658 -10.333 11.681 1.00 2.04 O ATOM 809 CB GLU A 54 5.501 -12.829 11.196 1.00 71.34 C ATOM 810 CG GLU A 54 5.452 -14.352 11.320 1.00 45.42 C ATOM 811 CD GLU A 54 6.482 -14.914 12.285 1.00 2.40 C ATOM 812 OE1 GLU A 54 6.784 -14.249 13.297 1.00 25.13 O ATOM 813 OE2 GLU A 54 6.985 -16.035 12.050 1.00 1.20 O ATOM 0 H GLU A 54 5.377 -12.940 8.696 1.00 42.35 H new ATOM 0 HA GLU A 54 3.419 -12.739 10.716 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.440 -12.540 10.724 1.00 71.34 H new ATOM 0 HB3 GLU A 54 5.498 -12.390 12.194 1.00 71.34 H new ATOM 0 HG2 GLU A 54 4.457 -14.650 11.649 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.608 -14.794 10.336 1.00 45.42 H new ATOM 820 N LYS A 55 4.672 -9.931 9.711 1.00 30.13 N ATOM 821 CA LYS A 55 4.515 -8.481 9.794 1.00 60.30 C ATOM 822 C LYS A 55 3.080 -8.088 9.435 1.00 11.44 C ATOM 823 O LYS A 55 2.592 -7.025 9.831 1.00 63.12 O ATOM 824 CB LYS A 55 5.499 -7.779 8.848 1.00 20.00 C ATOM 825 CG LYS A 55 6.964 -8.114 9.109 1.00 21.43 C ATOM 826 CD LYS A 55 7.412 -7.706 10.509 1.00 14.14 C ATOM 827 CE LYS A 55 8.893 -7.997 10.728 1.00 75.02 C ATOM 828 NZ LYS A 55 9.342 -7.618 12.091 1.00 63.03 N ATOM 0 H LYS A 55 5.173 -10.253 8.883 1.00 30.13 H new ATOM 0 HA LYS A 55 4.728 -8.167 10.816 1.00 60.30 H new ATOM 0 HB2 LYS A 55 5.254 -8.049 7.821 1.00 20.00 H new ATOM 0 HB3 LYS A 55 5.363 -6.701 8.935 1.00 20.00 H new ATOM 0 HG2 LYS A 55 7.118 -9.185 8.979 1.00 21.43 H new ATOM 0 HG3 LYS A 55 7.587 -7.610 8.370 1.00 21.43 H new ATOM 0 HD2 LYS A 55 7.223 -6.643 10.657 1.00 14.14 H new ATOM 0 HD3 LYS A 55 6.821 -8.242 11.252 1.00 14.14 H new ATOM 0 HE2 LYS A 55 9.081 -9.059 10.567 1.00 75.02 H new ATOM 0 HE3 LYS A 55 9.482 -7.454 9.989 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 10.354 -7.833 12.195 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 9.188 -6.600 12.237 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 8.799 -8.155 12.797 1.00 63.03 H new ATOM 842 N ARG A 56 2.420 -8.955 8.673 1.00 63.50 N ATOM 843 CA ARG A 56 1.030 -8.759 8.281 1.00 74.04 C ATOM 844 C ARG A 56 0.094 -9.170 9.414 1.00 1.10 C ATOM 845 O ARG A 56 -0.774 -8.397 9.827 1.00 45.04 O ATOM 846 CB ARG A 56 0.724 -9.572 7.010 1.00 13.44 C ATOM 847 CG ARG A 56 1.384 -9.018 5.749 1.00 60.23 C ATOM 848 CD ARG A 56 0.655 -7.783 5.228 1.00 20.44 C ATOM 849 NE ARG A 56 -0.674 -8.127 4.715 1.00 20.11 N ATOM 850 CZ ARG A 56 -1.767 -7.374 4.852 1.00 51.15 C ATOM 851 NH1 ARG A 56 -1.725 -6.227 5.519 1.00 31.34 N ATOM 852 NH2 ARG A 56 -2.913 -7.781 4.326 1.00 24.14 N ATOM 0 H ARG A 56 2.835 -9.813 8.310 1.00 63.50 H new ATOM 0 HA ARG A 56 0.869 -7.702 8.070 1.00 74.04 H new ATOM 0 HB2 ARG A 56 1.054 -10.600 7.160 1.00 13.44 H new ATOM 0 HB3 ARG A 56 -0.355 -9.602 6.860 1.00 13.44 H new ATOM 0 HG2 ARG A 56 2.422 -8.765 5.963 1.00 60.23 H new ATOM 0 HG3 ARG A 56 1.396 -9.787 4.976 1.00 60.23 H new ATOM 0 HD2 ARG A 56 0.560 -7.049 6.029 1.00 20.44 H new ATOM 0 HD3 ARG A 56 1.243 -7.317 4.437 1.00 20.44 H new ATOM 0 HE ARG A 56 -0.771 -9.010 4.214 1.00 20.11 H new ATOM 0 HH11 ARG A 56 -0.849 -5.911 5.935 1.00 31.34 H new ATOM 0 HH12 ARG A 56 -2.569 -5.662 5.615 1.00 31.34 H new ATOM 0 HH21 ARG A 56 -2.956 -8.665 3.820 1.00 24.14 H new ATOM 0 HH22 ARG A 56 -3.752 -7.210 4.427 1.00 24.14 H new ATOM 866 N ALA A 57 0.285 -10.388 9.918 1.00 75.53 N ATOM 867 CA ALA A 57 -0.542 -10.921 10.995 1.00 40.24 C ATOM 868 C ALA A 57 0.046 -12.223 11.533 1.00 71.25 C ATOM 869 O ALA A 57 0.876 -12.856 10.879 1.00 53.35 O ATOM 870 CB ALA A 57 -1.969 -11.148 10.510 1.00 34.42 C ATOM 0 H ALA A 57 1.011 -11.027 9.594 1.00 75.53 H new ATOM 0 HA ALA A 57 -0.560 -10.190 11.803 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -2.572 -11.546 11.326 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -2.393 -10.202 10.173 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -1.964 -11.858 9.683 1.00 34.42 H new ATOM 876 N HIS A 58 -0.396 -12.620 12.724 1.00 23.12 N ATOM 877 CA HIS A 58 0.082 -13.845 13.362 1.00 21.31 C ATOM 878 C HIS A 58 -1.081 -14.537 14.075 1.00 2.53 C ATOM 879 O HIS A 58 -1.344 -14.268 15.246 1.00 62.41 O ATOM 880 CB HIS A 58 1.207 -13.518 14.362 1.00 52.13 C ATOM 881 CG HIS A 58 2.116 -14.672 14.678 1.00 71.23 C ATOM 882 ND1 HIS A 58 1.804 -15.672 15.578 1.00 12.41 N ATOM 883 CD2 HIS A 58 3.356 -14.963 14.216 1.00 64.10 C ATOM 884 CE1 HIS A 58 2.813 -16.523 15.652 1.00 73.52 C ATOM 885 NE2 HIS A 58 3.765 -16.116 14.836 1.00 44.32 N ATOM 0 H HIS A 58 -1.089 -12.108 13.270 1.00 23.12 H new ATOM 0 HA HIS A 58 0.482 -14.515 12.601 1.00 21.31 H new ATOM 0 HB2 HIS A 58 1.805 -12.700 13.961 1.00 52.13 H new ATOM 0 HB3 HIS A 58 0.759 -13.161 15.289 1.00 52.13 H new ATOM 0 HD1 HIS A 58 0.932 -15.743 16.103 1.00 12.41 H new ATOM 0 HD2 HIS A 58 3.919 -14.392 13.492 1.00 64.10 H new ATOM 0 HE1 HIS A 58 2.851 -17.404 16.276 1.00 73.52 H new ATOM 894 N PHE A 59 -1.796 -15.395 13.351 1.00 45.53 N ATOM 895 CA PHE A 59 -2.971 -16.083 13.898 1.00 61.11 C ATOM 896 C PHE A 59 -2.597 -17.442 14.483 1.00 4.21 C ATOM 897 O PHE A 59 -3.393 -18.047 15.203 1.00 51.30 O ATOM 898 CB PHE A 59 -4.043 -16.262 12.815 1.00 63.21 C ATOM 899 CG PHE A 59 -4.721 -14.976 12.401 1.00 13.13 C ATOM 900 CD1 PHE A 59 -5.838 -14.517 13.088 1.00 55.13 C ATOM 901 CD2 PHE A 59 -4.249 -14.232 11.327 1.00 72.53 C ATOM 902 CE1 PHE A 59 -6.466 -13.345 12.714 1.00 72.34 C ATOM 903 CE2 PHE A 59 -4.876 -13.058 10.951 1.00 53.22 C ATOM 904 CZ PHE A 59 -5.986 -12.614 11.645 1.00 32.55 C ATOM 0 H PHE A 59 -1.585 -15.633 12.382 1.00 45.53 H new ATOM 0 HA PHE A 59 -3.371 -15.462 14.700 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -3.585 -16.718 11.937 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -4.799 -16.958 13.178 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -6.220 -15.083 13.925 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -3.383 -14.574 10.780 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -7.333 -13.000 13.258 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -4.498 -12.488 10.115 1.00 53.22 H new ATOM 0 HZ PHE A 59 -6.477 -11.698 11.352 1.00 32.55 H new ATOM 914 N ASP A 60 -1.398 -17.919 14.143 1.00 3.23 N ATOM 915 CA ASP A 60 -0.860 -19.186 14.648 1.00 22.13 C ATOM 916 C ASP A 60 -1.575 -20.397 14.040 1.00 20.41 C ATOM 917 O ASP A 60 -0.939 -21.247 13.427 1.00 31.31 O ATOM 918 CB ASP A 60 -0.908 -19.240 16.179 1.00 1.13 C ATOM 919 CG ASP A 60 0.020 -18.224 16.828 1.00 72.32 C ATOM 920 OD1 ASP A 60 -0.333 -17.026 16.872 1.00 64.02 O ATOM 921 OD2 ASP A 60 1.111 -18.616 17.292 1.00 21.21 O ATOM 0 H ASP A 60 -0.767 -17.434 13.505 1.00 3.23 H new ATOM 0 HA ASP A 60 0.184 -19.232 14.337 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -1.930 -19.060 16.514 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -0.635 -20.241 16.513 1.00 1.13 H new ATOM 926 N HIS A 61 -2.891 -20.482 14.202 1.00 13.11 N ATOM 927 CA HIS A 61 -3.658 -21.595 13.638 1.00 64.41 C ATOM 928 C HIS A 61 -3.904 -21.385 12.143 1.00 11.03 C ATOM 929 O HIS A 61 -4.383 -22.281 11.452 1.00 35.12 O ATOM 930 CB HIS A 61 -4.973 -21.790 14.402 1.00 74.10 C ATOM 931 CG HIS A 61 -4.768 -22.350 15.776 1.00 43.02 C ATOM 932 ND1 HIS A 61 -4.952 -23.681 16.081 1.00 14.13 N ATOM 933 CD2 HIS A 61 -4.356 -21.762 16.924 1.00 43.44 C ATOM 934 CE1 HIS A 61 -4.665 -23.883 17.351 1.00 75.35 C ATOM 935 NE2 HIS A 61 -4.301 -22.736 17.886 1.00 64.30 N ATOM 0 H HIS A 61 -3.449 -19.800 14.715 1.00 13.11 H new ATOM 0 HA HIS A 61 -3.072 -22.507 13.749 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -5.489 -20.833 14.478 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -5.622 -22.458 13.835 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -4.115 -20.718 17.057 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -4.719 -24.830 17.867 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -4.024 -22.596 18.857 1.00 64.30 H new ATOM 944 N ILE A 62 -3.570 -20.191 11.653 1.00 73.14 N ATOM 945 CA ILE A 62 -3.565 -19.910 10.215 1.00 65.44 C ATOM 946 C ILE A 62 -2.109 -19.841 9.726 1.00 41.11 C ATOM 947 O ILE A 62 -1.817 -19.360 8.630 1.00 32.13 O ATOM 948 CB ILE A 62 -4.324 -18.587 9.874 1.00 10.35 C ATOM 949 CG1 ILE A 62 -5.740 -18.601 10.476 1.00 42.10 C ATOM 950 CG2 ILE A 62 -4.409 -18.363 8.359 1.00 43.04 C ATOM 951 CD1 ILE A 62 -6.566 -17.374 10.125 1.00 32.42 C ATOM 0 H ILE A 62 -3.298 -19.398 12.234 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.092 -20.715 9.703 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.757 -17.766 10.312 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -6.264 -19.492 10.129 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -5.663 -18.678 11.561 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -4.943 -17.434 8.158 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -3.403 -18.301 7.943 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -4.941 -19.195 7.898 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -7.551 -17.455 10.584 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -6.065 -16.480 10.496 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -6.675 -17.306 9.043 1.00 32.42 H new ATOM 963 N ASP A 63 -1.190 -20.333 10.557 1.00 1.43 N ATOM 964 CA ASP A 63 0.236 -20.343 10.221 1.00 15.25 C ATOM 965 C ASP A 63 0.501 -21.215 8.995 1.00 43.10 C ATOM 966 O ASP A 63 -0.320 -22.054 8.623 1.00 22.32 O ATOM 967 CB ASP A 63 1.074 -20.834 11.410 1.00 62.22 C ATOM 968 CG ASP A 63 2.558 -20.930 11.090 1.00 62.44 C ATOM 969 OD1 ASP A 63 3.174 -19.887 10.798 1.00 31.43 O ATOM 970 OD2 ASP A 63 3.112 -22.051 11.115 1.00 71.15 O ATOM 0 H ASP A 63 -1.407 -20.731 11.471 1.00 1.43 H new ATOM 0 HA ASP A 63 0.530 -19.320 9.988 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.932 -20.156 12.252 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.711 -21.813 11.724 1.00 62.22 H new ATOM 975 N ILE A 64 1.651 -21.003 8.369 1.00 35.01 N ATOM 976 CA ILE A 64 2.022 -21.681 7.127 1.00 74.34 C ATOM 977 C ILE A 64 2.777 -22.985 7.397 1.00 73.52 C ATOM 978 O ILE A 64 2.596 -23.972 6.680 1.00 13.12 O ATOM 979 CB ILE A 64 2.868 -20.729 6.250 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.320 -21.412 4.956 1.00 32.33 C ATOM 981 CG2 ILE A 64 4.072 -20.211 7.028 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.742 -20.439 3.878 1.00 23.31 C ATOM 0 H ILE A 64 2.359 -20.352 8.708 1.00 35.01 H new ATOM 0 HA ILE A 64 1.108 -21.945 6.595 1.00 74.34 H new ATOM 0 HB ILE A 64 2.237 -19.883 5.977 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.152 -22.080 5.178 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.507 -22.031 4.578 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.655 -19.543 6.394 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.730 -19.668 7.909 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.694 -21.051 7.338 1.00 31.33 H new ATOM 0 HD11 ILE A 64 4.050 -20.991 2.990 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.905 -19.787 3.628 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.576 -19.837 4.238 1.00 23.31 H new ATOM 994 N GLY A 65 3.591 -22.993 8.449 1.00 24.22 N ATOM 995 CA GLY A 65 4.358 -24.178 8.791 1.00 1.30 C ATOM 996 C GLY A 65 3.471 -25.321 9.250 1.00 31.50 C ATOM 997 O GLY A 65 3.736 -26.487 8.943 1.00 64.12 O ATOM 0 H GLY A 65 3.733 -22.198 9.072 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.938 -24.496 7.925 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.070 -23.933 9.579 1.00 1.30 H new ATOM 1001 N VAL A 66 2.405 -24.977 9.970 1.00 52.41 N ATOM 1002 CA VAL A 66 1.464 -25.966 10.506 1.00 10.01 C ATOM 1003 C VAL A 66 0.930 -26.895 9.412 1.00 22.33 C ATOM 1004 O VAL A 66 0.793 -28.103 9.624 1.00 54.21 O ATOM 1005 CB VAL A 66 0.270 -25.278 11.218 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.733 -26.309 11.736 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.771 -24.385 12.351 1.00 25.14 C ATOM 0 H VAL A 66 2.168 -24.012 10.199 1.00 52.41 H new ATOM 0 HA VAL A 66 2.020 -26.562 11.230 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.247 -24.653 10.490 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.559 -25.797 12.230 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -1.117 -26.895 10.901 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.239 -26.972 12.447 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.078 -23.909 12.841 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.317 -24.989 13.076 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.432 -23.619 11.945 1.00 25.14 H new ATOM 1017 N LEU A 67 0.643 -26.328 8.241 1.00 55.10 N ATOM 1018 CA LEU A 67 0.074 -27.097 7.134 1.00 53.21 C ATOM 1019 C LEU A 67 0.982 -28.258 6.741 1.00 52.34 C ATOM 1020 O LEU A 67 0.509 -29.372 6.505 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.196 -26.202 5.909 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.462 -25.334 5.969 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.624 -26.091 6.603 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.190 -24.029 6.696 1.00 50.24 C ATOM 0 H LEU A 67 0.795 -25.341 8.034 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.876 -27.503 7.482 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.663 -25.546 5.768 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.259 -26.839 5.027 1.00 43.44 H new ATOM 0 HG LEU A 67 -1.750 -25.092 4.946 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.505 -25.449 6.631 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.843 -26.982 6.014 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.357 -26.384 7.618 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.102 -23.432 6.725 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.862 -24.241 7.714 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.411 -23.476 6.172 1.00 50.24 H new ATOM 1036 N ILE A 68 2.285 -28.004 6.708 1.00 31.54 N ATOM 1037 CA ILE A 68 3.252 -29.010 6.280 1.00 2.51 C ATOM 1038 C ILE A 68 3.213 -30.232 7.203 1.00 51.44 C ATOM 1039 O ILE A 68 3.395 -31.368 6.755 1.00 60.32 O ATOM 1040 CB ILE A 68 4.689 -28.432 6.233 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.729 -27.162 5.367 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.676 -29.474 5.699 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.108 -26.544 5.254 1.00 31.33 C ATOM 0 H ILE A 68 2.697 -27.109 6.973 1.00 31.54 H new ATOM 0 HA ILE A 68 2.973 -29.318 5.272 1.00 2.51 H new ATOM 0 HB ILE A 68 4.985 -28.170 7.249 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.366 -27.403 4.368 1.00 32.52 H new ATOM 0 HG13 ILE A 68 4.044 -26.425 5.786 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.678 -29.047 5.675 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.670 -30.348 6.350 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.383 -29.770 4.692 1.00 72.11 H new ATOM 0 HD11 ILE A 68 6.057 -25.653 4.628 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.467 -26.271 6.246 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.793 -27.263 4.806 1.00 31.33 H new ATOM 1055 N THR A 69 2.931 -29.993 8.481 1.00 24.31 N ATOM 1056 CA THR A 69 2.871 -31.066 9.465 1.00 33.41 C ATOM 1057 C THR A 69 1.690 -31.990 9.162 1.00 42.44 C ATOM 1058 O THR A 69 1.731 -33.192 9.436 1.00 21.42 O ATOM 1059 CB THR A 69 2.738 -30.492 10.897 1.00 21.35 C ATOM 1060 OG1 THR A 69 3.779 -29.533 11.135 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.815 -31.597 11.948 1.00 64.12 C ATOM 0 H THR A 69 2.741 -29.065 8.858 1.00 24.31 H new ATOM 0 HA THR A 69 3.798 -31.637 9.407 1.00 33.41 H new ATOM 0 HB THR A 69 1.764 -30.010 10.977 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.690 -29.171 12.041 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.718 -31.161 12.942 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.008 -32.311 11.785 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.774 -32.109 11.868 1.00 64.12 H new ATOM 1069 N GLN A 70 0.638 -31.412 8.597 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.542 -32.171 8.195 1.00 71.34 C ATOM 1071 C GLN A 70 -0.265 -32.917 6.891 1.00 10.03 C ATOM 1072 O GLN A 70 -0.488 -34.120 6.788 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.747 -31.230 8.035 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.887 -30.230 9.179 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.275 -29.620 9.269 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -4.153 -30.145 9.950 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.485 -28.510 8.582 1.00 21.40 N ATOM 0 H GLN A 70 0.577 -30.412 8.405 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.776 -32.902 8.969 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.652 -30.686 7.095 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.658 -31.825 7.968 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.654 -30.728 10.120 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.154 -29.434 9.050 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.732 -28.103 8.028 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.400 -28.061 8.606 1.00 21.40 H new ATOM 1086 N MET A 71 0.255 -32.183 5.912 1.00 14.01 N ATOM 1087 CA MET A 71 0.530 -32.715 4.576 1.00 13.13 C ATOM 1088 C MET A 71 1.506 -33.891 4.620 1.00 21.22 C ATOM 1089 O MET A 71 1.368 -34.854 3.861 1.00 40.43 O ATOM 1090 CB MET A 71 1.108 -31.607 3.694 1.00 61.13 C ATOM 1091 CG MET A 71 0.111 -30.512 3.324 1.00 14.31 C ATOM 1092 SD MET A 71 0.874 -28.879 3.280 1.00 65.25 S ATOM 1093 CE MET A 71 2.375 -29.226 2.365 1.00 3.01 C ATOM 0 H MET A 71 0.499 -31.199 6.021 1.00 14.01 H new ATOM 0 HA MET A 71 -0.411 -33.077 4.162 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.954 -31.152 4.210 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.496 -32.053 2.778 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.324 -30.734 2.349 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.707 -30.509 4.045 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.722 -28.315 1.877 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.143 -29.587 3.049 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.174 -29.987 1.611 1.00 3.01 H new ATOM 1103 N THR A 72 2.497 -33.802 5.502 1.00 74.35 N ATOM 1104 CA THR A 72 3.515 -34.843 5.624 1.00 54.12 C ATOM 1105 C THR A 72 2.879 -36.164 6.052 1.00 21.40 C ATOM 1106 O THR A 72 3.441 -37.244 5.837 1.00 10.21 O ATOM 1107 CB THR A 72 4.626 -34.450 6.632 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.791 -35.268 6.433 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.160 -34.594 8.081 1.00 32.34 C ATOM 0 H THR A 72 2.618 -33.019 6.144 1.00 74.35 H new ATOM 0 HA THR A 72 3.975 -34.960 4.643 1.00 54.12 H new ATOM 0 HB THR A 72 4.867 -33.403 6.450 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.486 -35.009 7.074 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.969 -34.309 8.753 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.300 -33.947 8.253 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.878 -35.630 8.271 1.00 32.34 H new ATOM 1117 N ASP A 73 1.709 -36.065 6.672 1.00 14.31 N ATOM 1118 CA ASP A 73 1.003 -37.227 7.193 1.00 73.20 C ATOM 1119 C ASP A 73 -0.134 -37.633 6.265 1.00 63.12 C ATOM 1120 O ASP A 73 -0.382 -38.819 6.041 1.00 62.50 O ATOM 1121 CB ASP A 73 0.443 -36.901 8.581 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.270 -38.085 9.216 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.418 -38.964 9.776 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.518 -38.141 9.161 1.00 73.12 O ATOM 0 H ASP A 73 1.225 -35.180 6.827 1.00 14.31 H new ATOM 0 HA ASP A 73 1.704 -38.059 7.261 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.257 -36.580 9.231 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.250 -36.064 8.502 1.00 53.23 H new ATOM 1129 N GLU A 74 -0.814 -36.637 5.716 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.006 -36.866 4.921 1.00 13.52 C ATOM 1131 C GLU A 74 -2.121 -35.826 3.811 1.00 52.34 C ATOM 1132 O GLU A 74 -2.096 -34.622 4.076 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.243 -36.793 5.823 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.552 -37.104 5.109 1.00 22.12 C ATOM 1135 CD GLU A 74 -5.768 -36.779 5.961 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.021 -37.499 6.949 1.00 64.11 O ATOM 1137 OE2 GLU A 74 -6.477 -35.798 5.650 1.00 51.53 O ATOM 0 H GLU A 74 -0.555 -35.655 5.809 1.00 53.04 H new ATOM 0 HA GLU A 74 -1.938 -37.854 4.466 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.118 -37.491 6.650 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.306 -35.794 6.256 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.600 -36.536 4.180 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.573 -38.160 4.838 1.00 22.12 H new ATOM 1144 N MET A 75 -2.215 -36.290 2.572 1.00 3.01 N ATOM 1145 CA MET A 75 -2.525 -35.411 1.453 1.00 44.15 C ATOM 1146 C MET A 75 -4.023 -35.111 1.450 1.00 2.42 C ATOM 1147 O MET A 75 -4.838 -36.034 1.523 1.00 23.31 O ATOM 1148 CB MET A 75 -2.105 -36.040 0.118 1.00 64.55 C ATOM 1149 CG MET A 75 -0.600 -36.197 -0.048 1.00 34.12 C ATOM 1150 SD MET A 75 -0.142 -36.848 -1.668 1.00 53.33 S ATOM 1151 CE MET A 75 -0.895 -35.628 -2.745 1.00 73.05 C ATOM 0 H MET A 75 -2.081 -37.268 2.317 1.00 3.01 H new ATOM 0 HA MET A 75 -1.964 -34.484 1.571 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.574 -37.020 0.027 1.00 64.55 H new ATOM 0 HB3 MET A 75 -2.488 -35.426 -0.697 1.00 64.55 H new ATOM 0 HG2 MET A 75 -0.120 -35.230 0.099 1.00 34.12 H new ATOM 0 HG3 MET A 75 -0.221 -36.863 0.727 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.285 -35.507 -3.640 1.00 73.05 H new ATOM 0 HE2 MET A 75 -1.894 -35.960 -3.029 1.00 73.05 H new ATOM 0 HE3 MET A 75 -0.965 -34.674 -2.222 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.410 -33.824 1.379 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.820 -33.422 1.426 1.00 54.22 C ATOM 1163 C PRO A 76 -6.609 -33.991 0.241 1.00 61.51 C ATOM 1164 O PRO A 76 -7.155 -35.091 0.322 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.746 -31.881 1.389 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.443 -31.599 0.724 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.515 -32.658 1.242 1.00 32.14 C ATOM 0 HA PRO A 76 -6.344 -33.797 2.305 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.580 -31.455 0.831 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.783 -31.455 2.392 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.533 -31.648 -0.361 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.081 -30.601 0.969 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.696 -32.854 0.550 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.067 -32.375 2.195 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.633 -33.250 -0.863 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.277 -33.674 -2.097 1.00 24.23 C ATOM 1177 C ARG A 77 -6.647 -32.919 -3.249 1.00 64.03 C ATOM 1178 O ARG A 77 -6.481 -31.705 -3.163 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.785 -33.374 -2.071 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.625 -34.314 -1.214 1.00 65.13 C ATOM 1181 CD ARG A 77 -9.571 -35.750 -1.721 1.00 35.21 C ATOM 1182 NE ARG A 77 -10.565 -36.599 -1.060 1.00 33.43 N ATOM 1183 CZ ARG A 77 -10.527 -37.933 -1.046 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -9.509 -38.581 -1.598 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -11.510 -38.617 -0.472 1.00 24.22 N ATOM 0 H ARG A 77 -6.200 -32.328 -0.924 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.144 -34.750 -2.211 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -8.929 -32.355 -1.711 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.162 -33.407 -3.093 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.270 -34.280 -0.184 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -10.660 -33.971 -1.207 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -9.741 -35.762 -2.798 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -8.575 -36.158 -1.552 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.338 -36.140 -0.578 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -8.750 -38.059 -2.036 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -9.486 -39.601 -1.584 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -12.292 -38.123 -0.043 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -11.483 -39.637 -0.460 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.289 -33.621 -4.313 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.711 -32.978 -5.485 1.00 10.22 C ATOM 1201 C GLU A 78 -6.752 -32.096 -6.159 1.00 23.31 C ATOM 1202 O GLU A 78 -6.421 -31.109 -6.813 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.154 -34.016 -6.466 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.136 -34.957 -5.826 1.00 21.42 C ATOM 1205 CD GLU A 78 -4.785 -36.167 -5.167 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -4.988 -37.191 -5.853 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -5.115 -36.094 -3.965 1.00 24.35 O ATOM 0 H GLU A 78 -6.388 -34.633 -4.390 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.879 -32.353 -5.162 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -5.978 -34.603 -6.872 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -4.687 -33.501 -7.305 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.433 -35.297 -6.587 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -3.559 -34.409 -5.081 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.015 -32.456 -5.959 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.138 -31.660 -6.435 1.00 62.11 C ATOM 1216 C GLU A 79 -9.163 -30.311 -5.715 1.00 42.33 C ATOM 1217 O GLU A 79 -9.439 -29.271 -6.314 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.445 -32.423 -6.199 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.689 -31.705 -6.704 1.00 54.04 C ATOM 1220 CD GLU A 79 -12.944 -32.539 -6.528 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.591 -32.434 -5.466 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -13.283 -33.314 -7.448 1.00 35.41 O ATOM 0 H GLU A 79 -8.288 -33.305 -5.464 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.027 -31.477 -7.504 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.378 -33.395 -6.687 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.556 -32.609 -5.131 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.804 -30.762 -6.170 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.562 -31.461 -7.759 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.865 -30.341 -4.422 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.758 -29.127 -3.623 1.00 23.21 C ATOM 1231 C ASP A 80 -7.460 -28.386 -3.952 1.00 50.24 C ATOM 1232 O ASP A 80 -7.418 -27.156 -3.957 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.865 -29.447 -2.124 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.291 -29.822 -1.722 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.746 -30.925 -2.091 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.964 -29.008 -1.050 1.00 72.24 O ATOM 0 H ASP A 80 -8.692 -31.201 -3.901 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.590 -28.469 -3.874 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.191 -30.268 -1.879 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.540 -28.583 -1.544 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.404 -29.149 -4.223 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.122 -28.586 -4.652 1.00 75.11 C ATOM 1243 C ILE A 81 -5.296 -27.758 -5.927 1.00 23.01 C ATOM 1244 O ILE A 81 -4.840 -26.610 -6.005 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.068 -29.713 -4.876 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.667 -30.344 -3.528 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.836 -29.200 -5.621 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.688 -31.497 -3.649 1.00 11.21 C ATOM 0 H ILE A 81 -6.410 -30.167 -4.153 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.759 -27.931 -3.860 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.528 -30.478 -5.502 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.227 -29.573 -2.895 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.566 -30.697 -3.023 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.127 -30.016 -5.756 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.135 -28.813 -6.595 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.367 -28.404 -5.043 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.458 -31.884 -2.657 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.131 -32.288 -4.254 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.771 -31.148 -4.124 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.970 -28.328 -6.923 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.231 -27.604 -8.159 1.00 13.24 C ATOM 1262 C GLU A 82 -7.220 -26.470 -7.896 1.00 5.44 C ATOM 1263 O GLU A 82 -7.113 -25.397 -8.490 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.732 -28.541 -9.269 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.031 -29.268 -8.951 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.432 -30.249 -10.041 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -7.845 -31.345 -10.108 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -9.335 -29.918 -10.841 1.00 14.40 O ATOM 0 H GLU A 82 -6.341 -29.278 -6.898 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.294 -27.174 -8.511 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.871 -27.960 -10.181 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -5.959 -29.281 -9.477 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -7.922 -29.803 -8.007 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.828 -28.537 -8.813 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.150 -26.713 -6.969 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.108 -25.696 -6.523 1.00 64.02 C ATOM 1277 C ARG A 83 -8.382 -24.433 -6.068 1.00 23.45 C ATOM 1278 O ARG A 83 -8.686 -23.330 -6.530 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.967 -26.270 -5.374 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.326 -25.280 -4.254 1.00 32.11 C ATOM 1281 CD ARG A 83 -10.929 -26.001 -3.049 1.00 70.23 C ATOM 1282 NE ARG A 83 -11.168 -25.106 -1.912 1.00 52.13 N ATOM 1283 CZ ARG A 83 -11.881 -25.440 -0.829 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -12.299 -26.689 -0.658 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -12.111 -24.541 0.117 1.00 32.14 N ATOM 0 H ARG A 83 -8.261 -27.616 -6.508 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.756 -25.428 -7.357 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.891 -26.663 -5.797 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.435 -27.113 -4.933 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -9.433 -24.736 -3.946 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.034 -24.542 -4.631 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -11.870 -26.466 -3.343 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -10.260 -26.804 -2.739 1.00 70.23 H new ATOM 0 HE ARG A 83 -10.765 -24.170 -1.949 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.077 -27.401 -1.354 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -12.842 -26.936 0.169 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -11.745 -23.594 0.020 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -12.654 -24.796 0.942 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.406 -24.600 -5.184 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.705 -23.463 -4.614 1.00 41.51 C ATOM 1301 C VAL A 84 -5.760 -22.829 -5.643 1.00 42.42 C ATOM 1302 O VAL A 84 -5.790 -21.615 -5.843 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.938 -23.849 -3.316 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.755 -24.766 -3.602 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.501 -22.601 -2.549 1.00 65.02 C ATOM 0 H VAL A 84 -7.085 -25.509 -4.849 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.456 -22.722 -4.339 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.628 -24.410 -2.686 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.249 -25.010 -2.668 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.111 -25.683 -4.072 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.058 -24.262 -4.271 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.967 -22.897 -1.646 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.845 -21.999 -3.177 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.379 -22.016 -2.276 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.955 -23.650 -6.324 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.972 -23.134 -7.282 1.00 63.21 C ATOM 1317 C ARG A 85 -4.645 -22.323 -8.391 1.00 31.04 C ATOM 1318 O ARG A 85 -4.137 -21.279 -8.788 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.123 -24.266 -7.884 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.847 -25.145 -8.899 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.922 -26.206 -9.487 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.600 -27.056 -10.469 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.017 -28.074 -11.111 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.733 -28.345 -10.914 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -3.721 -28.809 -11.964 1.00 44.23 N ATOM 0 H ARG A 85 -4.964 -24.666 -6.231 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.307 -22.469 -6.730 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.248 -23.828 -8.364 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.759 -24.897 -7.073 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.698 -25.629 -8.420 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.244 -24.523 -9.701 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.069 -25.719 -9.960 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.529 -26.828 -8.683 1.00 12.03 H new ATOM 0 HE ARG A 85 -4.579 -26.859 -10.676 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.185 -27.775 -10.270 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -1.295 -29.123 -11.407 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.705 -28.597 -12.129 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.278 -29.586 -12.454 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.790 -22.792 -8.885 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.505 -22.067 -9.949 1.00 61.13 C ATOM 1341 C ARG A 86 -7.047 -20.739 -9.417 1.00 43.24 C ATOM 1342 O ARG A 86 -7.049 -19.727 -10.121 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.646 -22.902 -10.561 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.803 -23.196 -9.610 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.986 -23.840 -10.329 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.596 -25.024 -11.104 1.00 1.42 N ATOM 1347 CZ ARG A 86 -9.845 -26.279 -10.735 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -10.461 -26.531 -9.591 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -9.484 -27.280 -11.522 1.00 54.51 N ATOM 0 H ARG A 86 -6.240 -23.654 -8.577 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.785 -21.871 -10.744 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -8.035 -22.376 -11.433 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.236 -23.848 -10.916 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.459 -23.857 -8.814 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.127 -22.269 -9.137 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -10.742 -24.122 -9.597 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.444 -23.109 -10.995 1.00 34.11 H new ATOM 0 HE ARG A 86 -9.101 -24.876 -11.984 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.748 -25.762 -8.986 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -10.649 -27.495 -9.314 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -9.017 -27.089 -12.408 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -9.673 -28.242 -11.242 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.497 -20.752 -8.160 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.959 -19.540 -7.482 1.00 5.31 C ATOM 1365 C HIS A 87 -6.803 -18.545 -7.393 1.00 35.45 C ATOM 1366 O HIS A 87 -6.969 -17.346 -7.611 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.482 -19.901 -6.076 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.977 -18.740 -5.246 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -9.427 -18.888 -3.950 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -9.087 -17.416 -5.525 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -9.791 -17.712 -3.471 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.598 -16.804 -4.408 1.00 10.01 N ATOM 0 H HIS A 87 -7.551 -21.595 -7.588 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.774 -19.084 -8.044 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.294 -20.620 -6.184 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.684 -20.402 -5.528 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -8.822 -16.934 -6.454 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -10.180 -17.526 -2.481 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.797 -15.808 -4.317 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.631 -19.077 -7.081 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.412 -18.289 -6.925 1.00 61.31 C ATOM 1383 C LEU A 88 -3.845 -17.836 -8.279 1.00 10.22 C ATOM 1384 O LEU A 88 -3.209 -16.774 -8.381 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.384 -19.117 -6.138 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.520 -19.060 -4.599 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.998 -17.728 -4.062 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.971 -19.269 -4.162 1.00 1.22 C ATOM 0 H LEU A 88 -5.495 -20.076 -6.927 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.648 -17.379 -6.372 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.463 -20.157 -6.454 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.385 -18.777 -6.410 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.919 -19.869 -4.184 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.102 -17.707 -2.977 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.947 -17.615 -4.328 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.572 -16.910 -4.497 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.034 -19.223 -3.075 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.597 -18.489 -4.595 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.317 -20.244 -4.505 1.00 1.22 H new ATOM 1400 N ALA A 89 -4.098 -18.635 -9.313 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.621 -18.343 -10.667 1.00 61.34 C ATOM 1402 C ALA A 89 -4.126 -16.981 -11.138 1.00 73.12 C ATOM 1403 O ALA A 89 -3.494 -16.329 -11.968 1.00 14.30 O ATOM 1404 CB ALA A 89 -4.057 -19.442 -11.631 1.00 24.15 C ATOM 0 H ALA A 89 -4.636 -19.499 -9.239 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.532 -18.311 -10.648 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.695 -19.211 -12.633 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.642 -20.396 -11.306 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -5.145 -19.505 -11.643 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.267 -16.562 -10.595 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.832 -15.251 -10.901 1.00 63.34 C ATOM 1412 C LEU A 90 -4.856 -14.141 -10.509 1.00 72.14 C ATOM 1413 O LEU A 90 -4.667 -13.171 -11.246 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.164 -15.059 -10.164 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.259 -16.082 -10.509 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.530 -15.810 -9.703 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.552 -16.077 -12.010 1.00 12.44 C ATOM 0 H LEU A 90 -5.819 -17.114 -9.939 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.010 -15.198 -11.975 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -6.976 -15.100 -9.091 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.541 -14.060 -10.383 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.895 -17.074 -10.239 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.291 -16.546 -9.964 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.307 -15.880 -8.638 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -9.899 -14.810 -9.932 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.330 -16.808 -12.231 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.890 -15.085 -12.311 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.646 -16.334 -12.558 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.229 -14.302 -9.347 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.251 -13.335 -8.854 1.00 44.25 C ATOM 1431 C GLN A 91 -1.913 -13.548 -9.544 1.00 0.14 C ATOM 1432 O GLN A 91 -1.130 -12.611 -9.715 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.093 -13.439 -7.327 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.340 -13.026 -6.545 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.514 -13.976 -6.729 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.671 -13.562 -6.723 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.230 -15.260 -6.867 1.00 3.21 N ATOM 0 H GLN A 91 -4.381 -15.097 -8.726 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.612 -12.333 -9.086 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.837 -14.466 -7.067 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.257 -12.813 -7.015 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.092 -12.969 -5.485 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.640 -12.026 -6.857 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.258 -15.570 -6.868 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -5.983 -15.940 -6.973 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.643 -14.794 -9.927 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.460 -15.083 -10.720 1.00 34.23 C ATOM 1448 C GLY A 92 0.096 -16.463 -10.456 1.00 75.14 C ATOM 1449 O GLY A 92 -0.524 -17.262 -9.749 1.00 41.34 O ATOM 0 H GLY A 92 -2.220 -15.605 -9.703 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.705 -14.991 -11.778 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.307 -14.339 -10.505 1.00 34.23 H new ATOM 1453 N TRP A 93 1.268 -16.741 -11.028 1.00 61.24 N ATOM 1454 CA TRP A 93 1.945 -18.019 -10.835 1.00 33.44 C ATOM 1455 C TRP A 93 3.456 -17.799 -10.680 1.00 44.25 C ATOM 1456 O TRP A 93 4.214 -17.904 -11.645 1.00 71.23 O ATOM 1457 CB TRP A 93 1.654 -18.959 -12.016 1.00 43.23 C ATOM 1458 CG TRP A 93 1.958 -20.398 -11.720 1.00 30.43 C ATOM 1459 CD1 TRP A 93 3.029 -21.129 -12.150 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.165 -21.276 -10.919 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.947 -22.412 -11.663 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.808 -22.527 -10.905 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.034 -21.122 -10.215 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.293 -23.617 -10.209 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.544 -22.201 -9.524 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.117 -23.436 -9.529 1.00 55.20 C ATOM 0 H TRP A 93 1.770 -16.091 -11.633 1.00 61.24 H new ATOM 0 HA TRP A 93 1.568 -18.484 -9.924 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.604 -18.867 -12.294 1.00 43.23 H new ATOM 0 HB3 TRP A 93 2.241 -18.641 -12.877 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.823 -20.754 -12.779 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.622 -23.157 -11.836 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.552 -20.174 -10.213 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.801 -24.570 -10.205 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.466 -22.092 -8.971 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.310 -24.265 -8.984 1.00 55.20 H new ATOM 1477 N PRO A 94 3.912 -17.448 -9.459 1.00 44.24 N ATOM 1478 CA PRO A 94 5.336 -17.202 -9.178 1.00 44.31 C ATOM 1479 C PRO A 94 6.183 -18.468 -9.324 1.00 13.14 C ATOM 1480 O PRO A 94 7.359 -18.400 -9.677 1.00 65.31 O ATOM 1481 CB PRO A 94 5.344 -16.703 -7.721 1.00 70.01 C ATOM 1482 CG PRO A 94 3.929 -16.314 -7.436 1.00 24.04 C ATOM 1483 CD PRO A 94 3.080 -17.234 -8.264 1.00 52.13 C ATOM 0 HA PRO A 94 5.770 -16.489 -9.879 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.684 -17.482 -7.039 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.018 -15.856 -7.598 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.700 -16.419 -6.375 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.749 -15.272 -7.700 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.869 -18.169 -7.744 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.119 -16.784 -8.514 1.00 52.13 H new ATOM 1491 N LEU A 95 5.565 -19.624 -9.077 1.00 20.13 N ATOM 1492 CA LEU A 95 6.263 -20.912 -9.144 1.00 2.45 C ATOM 1493 C LEU A 95 6.786 -21.206 -10.552 1.00 23.05 C ATOM 1494 O LEU A 95 7.465 -22.211 -10.767 1.00 42.11 O ATOM 1495 CB LEU A 95 5.349 -22.058 -8.672 1.00 12.24 C ATOM 1496 CG LEU A 95 5.380 -22.359 -7.159 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.912 -21.161 -6.336 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.541 -23.596 -6.841 1.00 44.11 C ATOM 0 H LEU A 95 4.579 -19.696 -8.828 1.00 20.13 H new ATOM 0 HA LEU A 95 7.121 -20.844 -8.475 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.324 -21.821 -8.956 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.627 -22.965 -9.210 1.00 12.24 H new ATOM 0 HG LEU A 95 6.415 -22.560 -6.883 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.948 -21.412 -5.276 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.564 -20.309 -6.530 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.889 -20.906 -6.614 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.575 -23.793 -5.769 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.509 -23.424 -7.146 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.940 -24.455 -7.380 1.00 44.11 H new ATOM 1510 N ASP A 96 6.446 -20.356 -11.511 1.00 4.21 N ATOM 1511 CA ASP A 96 6.974 -20.486 -12.867 1.00 41.33 C ATOM 1512 C ASP A 96 8.419 -20.009 -12.932 1.00 64.42 C ATOM 1513 O ASP A 96 9.255 -20.619 -13.599 1.00 63.40 O ATOM 1514 CB ASP A 96 6.127 -19.686 -13.864 1.00 13.44 C ATOM 1515 CG ASP A 96 6.740 -19.673 -15.257 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.649 -20.703 -15.961 1.00 52.41 O ATOM 1517 OD2 ASP A 96 7.334 -18.646 -15.647 1.00 32.34 O ATOM 0 H ASP A 96 5.809 -19.570 -11.378 1.00 4.21 H new ATOM 0 HA ASP A 96 6.934 -21.542 -13.136 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.126 -20.114 -13.913 1.00 13.44 H new ATOM 0 HB3 ASP A 96 6.019 -18.662 -13.507 1.00 13.44 H new ATOM 1522 N ASP A 97 8.711 -18.930 -12.221 1.00 25.14 N ATOM 1523 CA ASP A 97 10.024 -18.293 -12.289 1.00 42.42 C ATOM 1524 C ASP A 97 10.730 -18.399 -10.943 1.00 63.11 C ATOM 1525 O ASP A 97 10.346 -17.737 -9.980 1.00 10.23 O ATOM 1526 CB ASP A 97 9.881 -16.829 -12.710 1.00 35.12 C ATOM 1527 CG ASP A 97 11.221 -16.131 -12.892 1.00 13.01 C ATOM 1528 OD1 ASP A 97 11.829 -16.288 -13.970 1.00 24.13 O ATOM 1529 OD2 ASP A 97 11.654 -15.405 -11.971 1.00 25.30 O ATOM 0 H ASP A 97 8.055 -18.473 -11.587 1.00 25.14 H new ATOM 0 HA ASP A 97 10.628 -18.808 -13.036 1.00 42.42 H new ATOM 0 HB2 ASP A 97 9.321 -16.778 -13.644 1.00 35.12 H new ATOM 0 HB3 ASP A 97 9.298 -16.296 -11.959 1.00 35.12 H new ATOM 1534 N PRO A 98 11.767 -19.245 -10.862 1.00 61.44 N ATOM 1535 CA PRO A 98 12.463 -19.537 -9.613 1.00 22.22 C ATOM 1536 C PRO A 98 13.554 -18.516 -9.280 1.00 64.45 C ATOM 1537 O PRO A 98 14.295 -18.062 -10.156 1.00 40.33 O ATOM 1538 CB PRO A 98 13.072 -20.913 -9.888 1.00 75.31 C ATOM 1539 CG PRO A 98 13.355 -20.916 -11.359 1.00 75.22 C ATOM 1540 CD PRO A 98 12.350 -19.980 -11.999 1.00 2.44 C ATOM 0 HA PRO A 98 11.796 -19.503 -8.752 1.00 22.22 H new ATOM 0 HB2 PRO A 98 13.983 -21.066 -9.309 1.00 75.31 H new ATOM 0 HB3 PRO A 98 12.383 -21.713 -9.616 1.00 75.31 H new ATOM 0 HG2 PRO A 98 14.374 -20.584 -11.557 1.00 75.22 H new ATOM 0 HG3 PRO A 98 13.262 -21.922 -11.769 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.830 -19.304 -12.707 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.588 -20.530 -12.551 1.00 2.44 H new ATOM 1548 N ARG A 99 13.639 -18.161 -8.002 1.00 2.21 N ATOM 1549 CA ARG A 99 14.709 -17.297 -7.504 1.00 74.20 C ATOM 1550 C ARG A 99 16.027 -18.040 -7.542 1.00 12.43 C ATOM 1551 O ARG A 99 17.088 -17.464 -7.796 1.00 11.52 O ATOM 1552 CB ARG A 99 14.392 -16.852 -6.071 1.00 55.11 C ATOM 1553 CG ARG A 99 14.167 -17.995 -5.067 1.00 55.34 C ATOM 1554 CD ARG A 99 15.442 -18.407 -4.329 1.00 0.14 C ATOM 1555 NE ARG A 99 15.233 -19.629 -3.552 1.00 74.25 N ATOM 1556 CZ ARG A 99 16.115 -20.140 -2.693 1.00 14.31 C ATOM 1557 NH1 ARG A 99 17.252 -19.505 -2.428 1.00 71.15 N ATOM 1558 NH2 ARG A 99 15.848 -21.289 -2.087 1.00 34.22 N ATOM 0 H ARG A 99 12.976 -18.460 -7.287 1.00 2.21 H new ATOM 0 HA ARG A 99 14.784 -16.414 -8.139 1.00 74.20 H new ATOM 0 HB2 ARG A 99 15.211 -16.229 -5.711 1.00 55.11 H new ATOM 0 HB3 ARG A 99 13.500 -16.226 -6.091 1.00 55.11 H new ATOM 0 HG2 ARG A 99 13.416 -17.688 -4.339 1.00 55.34 H new ATOM 0 HG3 ARG A 99 13.765 -18.860 -5.595 1.00 55.34 H new ATOM 0 HD2 ARG A 99 16.247 -18.563 -5.047 1.00 0.14 H new ATOM 0 HD3 ARG A 99 15.758 -17.601 -3.666 1.00 0.14 H new ATOM 0 HE ARG A 99 14.350 -20.125 -3.676 1.00 74.25 H new ATOM 0 HH11 ARG A 99 17.458 -18.616 -2.884 1.00 71.15 H new ATOM 0 HH12 ARG A 99 17.919 -19.907 -1.769 1.00 71.15 H new ATOM 0 HH21 ARG A 99 14.972 -21.776 -2.279 1.00 34.22 H new ATOM 0 HH22 ARG A 99 16.518 -21.686 -1.429 1.00 34.22 H new ATOM 1572 N ASP A 100 15.917 -19.321 -7.253 1.00 34.03 N ATOM 1573 CA ASP A 100 17.052 -20.245 -7.243 1.00 4.54 C ATOM 1574 C ASP A 100 17.936 -20.055 -8.474 1.00 5.05 C ATOM 1575 O ASP A 100 17.555 -20.425 -9.587 1.00 4.23 O ATOM 1576 CB ASP A 100 16.546 -21.693 -7.176 1.00 74.24 C ATOM 1577 CG ASP A 100 17.678 -22.710 -7.161 1.00 41.42 C ATOM 1578 OD1 ASP A 100 18.335 -22.846 -6.109 1.00 53.41 O ATOM 1579 OD2 ASP A 100 17.897 -23.387 -8.190 1.00 64.40 O ATOM 0 H ASP A 100 15.029 -19.763 -7.014 1.00 34.03 H new ATOM 0 HA ASP A 100 17.655 -20.030 -6.361 1.00 4.54 H new ATOM 0 HB2 ASP A 100 15.937 -21.820 -6.281 1.00 74.24 H new ATOM 0 HB3 ASP A 100 15.899 -21.888 -8.032 1.00 74.24 H new ATOM 1584 N GLY A 101 19.105 -19.453 -8.268 1.00 74.34 N ATOM 1585 CA GLY A 101 20.045 -19.230 -9.357 1.00 25.12 C ATOM 1586 C GLY A 101 21.283 -20.094 -9.218 1.00 52.40 C ATOM 1587 O GLY A 101 22.138 -20.126 -10.105 1.00 71.02 O ATOM 0 H GLY A 101 19.421 -19.113 -7.360 1.00 74.34 H new ATOM 0 HA2 GLY A 101 19.557 -19.444 -10.308 1.00 25.12 H new ATOM 0 HA3 GLY A 101 20.335 -18.180 -9.377 1.00 25.12 H new ATOM 1591 N GLU A 102 21.379 -20.790 -8.093 1.00 61.22 N ATOM 1592 CA GLU A 102 22.484 -21.700 -7.821 1.00 32.33 C ATOM 1593 C GLU A 102 21.937 -23.088 -7.498 1.00 51.53 C ATOM 1594 O GLU A 102 21.245 -23.275 -6.499 1.00 60.02 O ATOM 1595 CB GLU A 102 23.372 -21.177 -6.671 1.00 34.42 C ATOM 1596 CG GLU A 102 22.611 -20.742 -5.417 1.00 13.32 C ATOM 1597 CD GLU A 102 21.914 -19.401 -5.585 1.00 54.40 C ATOM 1598 OE1 GLU A 102 22.604 -18.362 -5.510 1.00 2.40 O ATOM 1599 OE2 GLU A 102 20.683 -19.373 -5.807 1.00 20.04 O ATOM 0 H GLU A 102 20.691 -20.739 -7.341 1.00 61.22 H new ATOM 0 HA GLU A 102 23.110 -21.762 -8.711 1.00 32.33 H new ATOM 0 HB2 GLU A 102 24.082 -21.957 -6.395 1.00 34.42 H new ATOM 0 HB3 GLU A 102 23.954 -20.331 -7.037 1.00 34.42 H new ATOM 0 HG2 GLU A 102 21.871 -21.502 -5.165 1.00 13.32 H new ATOM 0 HG3 GLU A 102 23.305 -20.683 -4.579 1.00 13.32 H new ATOM 1606 N GLU A 103 22.243 -24.046 -8.359 1.00 70.30 N ATOM 1607 CA GLU A 103 21.726 -25.402 -8.223 1.00 12.44 C ATOM 1608 C GLU A 103 22.327 -26.098 -6.994 1.00 42.42 C ATOM 1609 O GLU A 103 23.474 -25.834 -6.624 1.00 71.41 O ATOM 1610 CB GLU A 103 22.034 -26.198 -9.494 1.00 24.55 C ATOM 1611 CG GLU A 103 21.511 -25.548 -10.768 1.00 24.21 C ATOM 1612 CD GLU A 103 21.854 -26.351 -12.009 1.00 42.24 C ATOM 1613 OE1 GLU A 103 22.974 -26.186 -12.544 1.00 42.02 O ATOM 1614 OE2 GLU A 103 21.011 -27.160 -12.450 1.00 25.23 O ATOM 0 H GLU A 103 22.852 -23.909 -9.166 1.00 70.30 H new ATOM 0 HA GLU A 103 20.646 -25.353 -8.083 1.00 12.44 H new ATOM 0 HB2 GLU A 103 23.113 -26.326 -9.579 1.00 24.55 H new ATOM 0 HB3 GLU A 103 21.601 -27.194 -9.401 1.00 24.55 H new ATOM 0 HG2 GLU A 103 20.429 -25.436 -10.698 1.00 24.21 H new ATOM 0 HG3 GLU A 103 21.930 -24.546 -10.860 1.00 24.21 H new ATOM 1621 N PRO A 104 21.563 -27.013 -6.360 1.00 15.24 N ATOM 1622 CA PRO A 104 21.964 -27.679 -5.107 1.00 63.11 C ATOM 1623 C PRO A 104 23.084 -28.722 -5.276 1.00 31.14 C ATOM 1624 O PRO A 104 23.133 -29.707 -4.536 1.00 73.41 O ATOM 1625 CB PRO A 104 20.663 -28.368 -4.630 1.00 43.14 C ATOM 1626 CG PRO A 104 19.573 -27.815 -5.491 1.00 23.44 C ATOM 1627 CD PRO A 104 20.227 -27.454 -6.793 1.00 13.25 C ATOM 0 HA PRO A 104 22.379 -26.956 -4.405 1.00 63.11 H new ATOM 0 HB2 PRO A 104 20.733 -29.451 -4.734 1.00 43.14 H new ATOM 0 HB3 PRO A 104 20.473 -28.160 -3.577 1.00 43.14 H new ATOM 0 HG2 PRO A 104 18.782 -28.550 -5.641 1.00 23.44 H new ATOM 0 HG3 PRO A 104 19.114 -26.942 -5.028 1.00 23.44 H new ATOM 0 HD2 PRO A 104 20.280 -28.305 -7.472 1.00 13.25 H new ATOM 0 HD3 PRO A 104 19.687 -26.664 -7.314 1.00 13.25 H new ATOM 1635 N ASP A 105 23.986 -28.508 -6.229 1.00 4.41 N ATOM 1636 CA ASP A 105 25.160 -29.369 -6.379 1.00 54.35 C ATOM 1637 C ASP A 105 26.382 -28.682 -5.778 1.00 44.21 C ATOM 1638 O ASP A 105 26.847 -27.655 -6.276 1.00 12.41 O ATOM 1639 CB ASP A 105 25.407 -29.754 -7.852 1.00 3.32 C ATOM 1640 CG ASP A 105 25.543 -28.564 -8.790 1.00 1.22 C ATOM 1641 OD1 ASP A 105 24.502 -28.031 -9.228 1.00 52.25 O ATOM 1642 OD2 ASP A 105 26.685 -28.178 -9.124 1.00 55.20 O ATOM 0 H ASP A 105 23.929 -27.749 -6.908 1.00 4.41 H new ATOM 0 HA ASP A 105 24.973 -30.297 -5.840 1.00 54.35 H new ATOM 0 HB2 ASP A 105 26.314 -30.356 -7.912 1.00 3.32 H new ATOM 0 HB3 ASP A 105 24.585 -30.382 -8.195 1.00 3.32 H new ATOM 1647 N GLY A 106 26.878 -29.243 -4.677 1.00 62.13 N ATOM 1648 CA GLY A 106 28.024 -28.680 -3.990 1.00 11.31 C ATOM 1649 C GLY A 106 29.330 -29.139 -4.606 1.00 65.20 C ATOM 1650 O GLY A 106 30.240 -28.336 -4.822 1.00 31.24 O ATOM 0 H GLY A 106 26.500 -30.087 -4.246 1.00 62.13 H new ATOM 0 HA2 GLY A 106 27.969 -27.592 -4.023 1.00 11.31 H new ATOM 0 HA3 GLY A 106 27.996 -28.969 -2.939 1.00 11.31 H new ATOM 1654 N GLU A 107 29.409 -30.443 -4.893 1.00 23.42 N ATOM 1655 CA GLU A 107 30.589 -31.044 -5.520 1.00 2.20 C ATOM 1656 C GLU A 107 31.862 -30.684 -4.757 1.00 40.21 C ATOM 1657 O GLU A 107 32.917 -30.459 -5.357 1.00 12.10 O ATOM 1658 CB GLU A 107 30.700 -30.599 -6.986 1.00 33.32 C ATOM 1659 CG GLU A 107 29.508 -31.005 -7.847 1.00 33.22 C ATOM 1660 CD GLU A 107 29.203 -32.493 -7.757 1.00 63.21 C ATOM 1661 OE1 GLU A 107 30.048 -33.308 -8.184 1.00 44.23 O ATOM 1662 OE2 GLU A 107 28.119 -32.854 -7.251 1.00 2.52 O ATOM 0 H GLU A 107 28.660 -31.108 -4.698 1.00 23.42 H new ATOM 0 HA GLU A 107 30.473 -32.127 -5.489 1.00 2.20 H new ATOM 0 HB2 GLU A 107 30.807 -29.515 -7.019 1.00 33.32 H new ATOM 0 HB3 GLU A 107 31.608 -31.022 -7.416 1.00 33.32 H new ATOM 0 HG2 GLU A 107 28.630 -30.438 -7.537 1.00 33.22 H new ATOM 0 HG3 GLU A 107 29.707 -30.741 -8.885 1.00 33.22 H new ATOM 1669 N SER A 108 31.753 -30.654 -3.433 1.00 21.32 N ATOM 1670 CA SER A 108 32.862 -30.280 -2.562 1.00 31.33 C ATOM 1671 C SER A 108 34.086 -31.157 -2.831 1.00 60.00 C ATOM 1672 O SER A 108 33.971 -32.383 -2.941 1.00 11.30 O ATOM 1673 CB SER A 108 32.430 -30.409 -1.097 1.00 12.23 C ATOM 1674 OG SER A 108 31.229 -29.687 -0.860 1.00 51.11 O ATOM 0 H SER A 108 30.895 -30.888 -2.934 1.00 21.32 H new ATOM 0 HA SER A 108 33.136 -29.245 -2.769 1.00 31.33 H new ATOM 0 HB2 SER A 108 32.283 -31.460 -0.848 1.00 12.23 H new ATOM 0 HB3 SER A 108 33.220 -30.034 -0.446 1.00 12.23 H new ATOM 0 HG SER A 108 30.969 -29.783 0.080 1.00 51.11 H new ATOM 1680 N GLY A 109 35.253 -30.521 -2.950 1.00 11.40 N ATOM 1681 CA GLY A 109 36.489 -31.245 -3.183 1.00 74.12 C ATOM 1682 C GLY A 109 36.766 -32.266 -2.096 1.00 72.41 C ATOM 1683 O GLY A 109 37.273 -33.355 -2.370 1.00 14.04 O ATOM 0 H GLY A 109 35.361 -29.509 -2.888 1.00 11.40 H new ATOM 0 HA2 GLY A 109 36.437 -31.749 -4.148 1.00 74.12 H new ATOM 0 HA3 GLY A 109 37.318 -30.539 -3.236 1.00 74.12 H new ATOM 1687 N GLY A 110 36.418 -31.911 -0.860 1.00 13.43 N ATOM 1688 CA GLY A 110 36.592 -32.814 0.262 1.00 33.40 C ATOM 1689 C GLY A 110 36.980 -32.073 1.529 1.00 63.40 C ATOM 1690 O GLY A 110 36.285 -31.139 1.934 1.00 25.54 O ATOM 0 H GLY A 110 36.016 -31.006 -0.617 1.00 13.43 H new ATOM 0 HA2 GLY A 110 35.667 -33.364 0.432 1.00 33.40 H new ATOM 0 HA3 GLY A 110 37.360 -33.549 0.021 1.00 33.40 H new ATOM 1694 N PRO A 111 38.085 -32.470 2.182 1.00 53.01 N ATOM 1695 CA PRO A 111 38.561 -31.823 3.402 1.00 61.42 C ATOM 1696 C PRO A 111 39.459 -30.617 3.108 1.00 45.21 C ATOM 1697 O PRO A 111 39.770 -30.326 1.948 1.00 22.42 O ATOM 1698 CB PRO A 111 39.355 -32.950 4.074 1.00 10.14 C ATOM 1699 CG PRO A 111 39.932 -33.731 2.936 1.00 0.34 C ATOM 1700 CD PRO A 111 38.966 -33.590 1.781 1.00 40.33 C ATOM 0 HA PRO A 111 37.754 -31.418 4.013 1.00 61.42 H new ATOM 0 HB2 PRO A 111 40.138 -32.553 4.721 1.00 10.14 H new ATOM 0 HB3 PRO A 111 38.712 -33.572 4.697 1.00 10.14 H new ATOM 0 HG2 PRO A 111 40.917 -33.351 2.666 1.00 0.34 H new ATOM 0 HG3 PRO A 111 40.058 -34.778 3.210 1.00 0.34 H new ATOM 0 HD2 PRO A 111 39.488 -33.373 0.849 1.00 40.33 H new ATOM 0 HD3 PRO A 111 38.398 -34.507 1.622 1.00 40.33 H new ATOM 1708 N ARG A 112 39.864 -29.908 4.160 1.00 2.23 N ATOM 1709 CA ARG A 112 40.790 -28.790 4.022 1.00 23.43 C ATOM 1710 C ARG A 112 42.218 -29.277 4.268 1.00 64.04 C ATOM 1711 O ARG A 112 42.621 -29.397 5.445 1.00 53.13 O ATOM 1712 CB ARG A 112 40.431 -27.648 4.990 1.00 24.42 C ATOM 1713 CG ARG A 112 41.395 -26.468 4.909 1.00 72.30 C ATOM 1714 CD ARG A 112 41.000 -25.318 5.831 1.00 52.41 C ATOM 1715 NE ARG A 112 41.985 -24.233 5.779 1.00 62.15 N ATOM 1716 CZ ARG A 112 41.990 -23.265 4.860 1.00 31.24 C ATOM 1717 NH1 ARG A 112 40.984 -23.150 3.998 1.00 32.13 N ATOM 1718 NH2 ARG A 112 42.985 -22.391 4.825 1.00 30.31 N ATOM 1719 OXT ARG A 112 42.922 -29.569 3.283 1.00 0.00 O ATOM 0 H ARG A 112 39.564 -30.090 5.118 1.00 2.23 H new ATOM 0 HA ARG A 112 40.714 -28.396 3.008 1.00 23.43 H new ATOM 0 HB2 ARG A 112 39.421 -27.300 4.773 1.00 24.42 H new ATOM 0 HB3 ARG A 112 40.423 -28.033 6.010 1.00 24.42 H new ATOM 0 HG2 ARG A 112 42.399 -26.806 5.167 1.00 72.30 H new ATOM 0 HG3 ARG A 112 41.435 -26.107 3.881 1.00 72.30 H new ATOM 0 HD2 ARG A 112 40.020 -24.937 5.542 1.00 52.41 H new ATOM 0 HD3 ARG A 112 40.911 -25.683 6.854 1.00 52.41 H new ATOM 0 HE ARG A 112 42.714 -24.217 6.492 1.00 62.15 H new ATOM 0 HH11 ARG A 112 40.202 -23.804 4.037 1.00 32.13 H new ATOM 0 HH12 ARG A 112 40.994 -22.408 3.298 1.00 32.13 H new ATOM 0 HH21 ARG A 112 43.747 -22.458 5.500 1.00 30.31 H new ATOM 0 HH22 ARG A 112 42.989 -21.651 4.123 1.00 30.31 H new TER 1733 ARG A 112