USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 183 NAG O3 : rot -120:sc= -0.599! USER MOD Set 1.2: A 186 GAL O2 : rot -28:sc= -1.45! USER MOD Set 2.1: A 181 MAN O3 : rot -18:sc= 1.23 USER MOD Set 2.2: A 184 NAG O6 : rot -34:sc= 0.0486 USER MOD Set 3.1: A 83 HIS :FLIP no HE2:sc= -14.6! C(o=-15!,f=-14!) USER MOD Set 3.2: A 86 THR OG1 : rot -173:sc= 0.954 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 66:sc= -0.306! USER MOD Single : A 13 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.8!) USER MOD Single : A 15 ASN :FLIP amide:sc= -29! C(o=-33!,f=-29!) USER MOD Single : A 19 SER OG : rot 100:sc= 1.02 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 27 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.5!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.42! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 17:sc= 1.64 USER MOD Single : A 43 SER OG : rot 58:sc= 0.226 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.0133 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 10:sc= 0.0253 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.34 K(o=-0.34,f=-2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -165:sc=-0.00405 (180deg=-0.142) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -18.9! C(o=-19!,f=-22!) USER MOD Single : A 80 THR OG1 : rot 140:sc= -3.47! USER MOD Single : A 85 SER OG : rot -49:sc= 0.141 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.6) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 140:sc= 1.13 USER MOD Single : A 178 NAG O6 : rot 180:sc=-0.00363 USER MOD Single : A 179 NAG O3 : rot 132:sc= 0.00571 USER MOD Single : A 179 NAG O6 : rot 180:sc= -2.22! USER MOD Single : A 180 BMA O2 : rot 148:sc= 0.0836 USER MOD Single : A 180 BMA O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 29:sc= 0.00182 USER MOD Single : A 182 MAN O3 : rot 27:sc= 0.0747 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 35:sc= 0.0104 USER MOD Single : A 183 NAG O6 : rot 29:sc= 0.00486 USER MOD Single : A 184 NAG O3 : rot 140:sc= -0.0066 USER MOD Single : A 185 GAL O2 : rot 30:sc=0.000847 USER MOD Single : A 185 GAL O3 : rot 88:sc= 0.0747 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0862 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 100:sc= 0.068 USER MOD Single : A 186 GAL O4 : rot 165:sc= 1.18 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.922 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.165 -16.052 -17.913 1.00 0.00 N ATOM 2 CA ALA A 1 0.056 -14.999 -16.870 1.00 0.00 C ATOM 3 C ALA A 1 -1.182 -14.135 -17.092 1.00 0.00 C ATOM 4 O ALA A 1 -1.131 -13.132 -17.806 1.00 0.00 O ATOM 5 CB ALA A 1 1.306 -14.132 -16.860 1.00 0.00 C ATOM 0 H1 ALA A 1 1.015 -16.626 -17.740 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.677 -16.662 -17.880 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.233 -15.607 -18.850 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.040 -15.491 -15.902 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.211 -13.365 -16.091 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.177 -14.752 -16.649 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.427 -13.656 -17.833 1.00 0.00 H new ATOM 13 N PRO A 2 -2.314 -14.518 -16.483 1.00 0.00 N ATOM 14 CA PRO A 2 -3.573 -13.778 -16.613 1.00 0.00 C ATOM 15 C PRO A 2 -3.433 -12.313 -16.208 1.00 0.00 C ATOM 16 O PRO A 2 -2.322 -11.794 -16.092 1.00 0.00 O ATOM 17 CB PRO A 2 -4.523 -14.510 -15.659 1.00 0.00 C ATOM 18 CG PRO A 2 -3.942 -15.875 -15.510 1.00 0.00 C ATOM 19 CD PRO A 2 -2.454 -15.703 -15.618 1.00 0.00 C ATOM 0 HA PRO A 2 -3.922 -13.754 -17.645 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.587 -14.001 -14.697 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.534 -14.553 -16.064 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.216 -16.313 -14.550 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.315 -16.545 -16.285 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.995 -15.546 -14.642 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.978 -16.580 -16.056 1.00 0.00 H new ATOM 27 N ASP A 3 -4.568 -11.656 -15.991 1.00 0.00 N ATOM 28 CA ASP A 3 -4.582 -10.250 -15.594 1.00 0.00 C ATOM 29 C ASP A 3 -5.989 -9.674 -15.702 1.00 0.00 C ATOM 30 O ASP A 3 -6.341 -8.729 -14.997 1.00 0.00 O ATOM 31 CB ASP A 3 -3.618 -9.434 -16.463 1.00 0.00 C ATOM 32 CG ASP A 3 -3.878 -9.615 -17.946 1.00 0.00 C ATOM 33 OD1 ASP A 3 -3.554 -10.697 -18.478 1.00 0.00 O ATOM 34 OD2 ASP A 3 -4.403 -8.672 -18.576 1.00 0.00 O ATOM 0 H ASP A 3 -5.493 -12.075 -16.083 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.257 -10.190 -14.555 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.709 -8.378 -16.208 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.593 -9.729 -16.238 1.00 0.00 H new ATOM 39 N VAL A 4 -6.789 -10.254 -16.592 1.00 0.00 N ATOM 40 CA VAL A 4 -8.160 -9.806 -16.800 1.00 0.00 C ATOM 41 C VAL A 4 -8.776 -9.276 -15.509 1.00 0.00 C ATOM 42 O VAL A 4 -8.906 -10.007 -14.526 1.00 0.00 O ATOM 43 CB VAL A 4 -9.044 -10.946 -17.345 1.00 0.00 C ATOM 44 CG1 VAL A 4 -8.766 -12.242 -16.600 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.515 -10.577 -17.249 1.00 0.00 C ATOM 0 H VAL A 4 -6.509 -11.038 -17.182 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.118 -9.000 -17.533 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.798 -11.096 -18.396 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.399 -13.034 -16.999 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.719 -12.517 -16.726 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.980 -12.105 -15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.121 -11.395 -17.639 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.777 -10.395 -16.207 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.703 -9.676 -17.833 1.00 0.00 H new ATOM 55 N GLN A 5 -9.159 -8.002 -15.525 1.00 0.00 N ATOM 56 CA GLN A 5 -9.770 -7.358 -14.364 1.00 0.00 C ATOM 57 C GLN A 5 -9.391 -8.067 -13.067 1.00 0.00 C ATOM 58 O GLN A 5 -10.257 -8.558 -12.342 1.00 0.00 O ATOM 59 CB GLN A 5 -11.291 -7.335 -14.514 1.00 0.00 C ATOM 60 CG GLN A 5 -11.892 -8.698 -14.813 1.00 0.00 C ATOM 61 CD GLN A 5 -13.372 -8.768 -14.496 1.00 0.00 C ATOM 62 OE1 GLN A 5 -14.210 -8.361 -15.301 1.00 0.00 O ATOM 63 NE2 GLN A 5 -13.701 -9.282 -13.316 1.00 0.00 N ATOM 0 H GLN A 5 -9.056 -7.391 -16.335 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.393 -6.336 -14.315 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.733 -6.945 -13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.559 -6.645 -15.315 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.739 -8.935 -15.866 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.365 -9.457 -14.235 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.973 -9.607 -12.680 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -14.682 -9.352 -13.046 1.00 0.00 H new ATOM 72 N ASP A 6 -8.096 -8.115 -12.779 1.00 0.00 N ATOM 73 CA ASP A 6 -7.606 -8.763 -11.567 1.00 0.00 C ATOM 74 C ASP A 6 -6.210 -8.263 -11.211 1.00 0.00 C ATOM 75 O ASP A 6 -5.274 -8.386 -12.000 1.00 0.00 O ATOM 76 CB ASP A 6 -7.592 -10.283 -11.747 1.00 0.00 C ATOM 77 CG ASP A 6 -8.643 -10.975 -10.898 1.00 0.00 C ATOM 78 OD1 ASP A 6 -9.188 -10.325 -9.982 1.00 0.00 O ATOM 79 OD2 ASP A 6 -8.921 -12.166 -11.153 1.00 0.00 O ATOM 0 H ASP A 6 -7.366 -7.713 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.280 -8.510 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.760 -10.524 -12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.606 -10.668 -11.486 1.00 0.00 H new ATOM 84 N CYS A 7 -6.080 -7.695 -10.015 1.00 0.00 N ATOM 85 CA CYS A 7 -4.801 -7.172 -9.551 1.00 0.00 C ATOM 86 C CYS A 7 -4.543 -7.569 -8.101 1.00 0.00 C ATOM 87 O CYS A 7 -5.463 -7.617 -7.287 1.00 0.00 O ATOM 88 CB CYS A 7 -4.775 -5.648 -9.681 1.00 0.00 C ATOM 89 SG CYS A 7 -5.998 -4.793 -8.634 1.00 0.00 S ATOM 0 H CYS A 7 -6.846 -7.586 -9.350 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.015 -7.601 -10.173 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.778 -5.289 -9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.953 -5.379 -10.722 1.00 0.00 H new ATOM 94 N PRO A 8 -3.277 -7.854 -7.762 1.00 0.00 N ATOM 95 CA PRO A 8 -2.890 -8.245 -6.402 1.00 0.00 C ATOM 96 C PRO A 8 -3.207 -7.154 -5.382 1.00 0.00 C ATOM 97 O PRO A 8 -2.864 -5.988 -5.581 1.00 0.00 O ATOM 98 CB PRO A 8 -1.375 -8.464 -6.498 1.00 0.00 C ATOM 99 CG PRO A 8 -1.093 -8.633 -7.954 1.00 0.00 C ATOM 100 CD PRO A 8 -2.127 -7.817 -8.676 1.00 0.00 C ATOM 0 HA PRO A 8 -3.433 -9.127 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.828 -7.615 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.068 -9.344 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.087 -8.292 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.153 -9.682 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.785 -6.797 -8.853 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.371 -8.244 -9.649 1.00 0.00 H new ATOM 108 N GLU A 9 -3.866 -7.538 -4.294 1.00 0.00 N ATOM 109 CA GLU A 9 -4.232 -6.591 -3.248 1.00 0.00 C ATOM 110 C GLU A 9 -3.152 -5.532 -3.070 1.00 0.00 C ATOM 111 O GLU A 9 -1.971 -5.848 -2.926 1.00 0.00 O ATOM 112 CB GLU A 9 -4.471 -7.319 -1.925 1.00 0.00 C ATOM 113 CG GLU A 9 -5.046 -6.426 -0.838 1.00 0.00 C ATOM 114 CD GLU A 9 -6.006 -7.160 0.076 1.00 0.00 C ATOM 115 OE1 GLU A 9 -5.763 -8.352 0.357 1.00 0.00 O ATOM 116 OE2 GLU A 9 -7.000 -6.542 0.513 1.00 0.00 O ATOM 0 H GLU A 9 -4.157 -8.499 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.155 -6.097 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.151 -8.154 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.529 -7.742 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.231 -6.012 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.563 -5.585 -1.300 1.00 0.00 H new ATOM 123 N CYS A 10 -3.569 -4.272 -3.083 1.00 0.00 N ATOM 124 CA CYS A 10 -2.645 -3.156 -2.927 1.00 0.00 C ATOM 125 C CYS A 10 -1.595 -3.449 -1.858 1.00 0.00 C ATOM 126 O CYS A 10 -1.913 -3.932 -0.772 1.00 0.00 O ATOM 127 CB CYS A 10 -3.414 -1.884 -2.569 1.00 0.00 C ATOM 128 SG CYS A 10 -2.354 -0.435 -2.263 1.00 0.00 S ATOM 0 H CYS A 10 -4.544 -3.997 -3.200 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.129 -3.012 -3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.105 -1.650 -3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.016 -2.074 -1.681 1.00 0.00 H new ATOM 133 N THR A 11 -0.340 -3.142 -2.177 1.00 0.00 N ATOM 134 CA THR A 11 0.771 -3.356 -1.255 1.00 0.00 C ATOM 135 C THR A 11 2.046 -2.774 -1.823 1.00 0.00 C ATOM 136 O THR A 11 2.027 -2.057 -2.819 1.00 0.00 O ATOM 137 CB THR A 11 0.980 -4.842 -0.973 1.00 0.00 C ATOM 138 OG1 THR A 11 2.157 -5.044 -0.209 1.00 0.00 O ATOM 139 CG2 THR A 11 1.099 -5.677 -2.228 1.00 0.00 C ATOM 0 H THR A 11 -0.066 -2.741 -3.074 1.00 0.00 H new ATOM 0 HA THR A 11 0.522 -2.854 -0.320 1.00 0.00 H new ATOM 0 HB THR A 11 0.093 -5.162 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.042 -4.647 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.246 -6.722 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.187 -5.580 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.950 -5.332 -2.816 1.00 0.00 H new ATOM 147 N LEU A 12 3.152 -3.091 -1.180 1.00 0.00 N ATOM 148 CA LEU A 12 4.449 -2.604 -1.606 1.00 0.00 C ATOM 149 C LEU A 12 4.941 -3.349 -2.832 1.00 0.00 C ATOM 150 O LEU A 12 4.888 -4.577 -2.891 1.00 0.00 O ATOM 151 CB LEU A 12 5.449 -2.748 -0.473 1.00 0.00 C ATOM 152 CG LEU A 12 5.264 -1.751 0.665 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.989 -2.063 1.435 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.468 -1.789 1.588 1.00 0.00 C ATOM 0 H LEU A 12 3.178 -3.689 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 12 4.348 -1.551 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.378 -3.758 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.455 -2.636 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 12 5.177 -0.748 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.868 -1.344 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.133 -2.000 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.051 -3.069 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.328 -1.074 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.577 -2.791 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.365 -1.530 1.026 1.00 0.00 H new ATOM 166 N GLN A 13 5.429 -2.599 -3.806 1.00 0.00 N ATOM 167 CA GLN A 13 5.939 -3.197 -5.029 1.00 0.00 C ATOM 168 C GLN A 13 7.387 -2.838 -5.242 1.00 0.00 C ATOM 169 O GLN A 13 7.745 -2.133 -6.184 1.00 0.00 O ATOM 170 CB GLN A 13 5.135 -2.765 -6.225 1.00 0.00 C ATOM 171 CG GLN A 13 3.976 -3.692 -6.529 1.00 0.00 C ATOM 172 CD GLN A 13 3.940 -4.128 -7.982 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.547 -3.497 -8.847 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.228 -5.215 -8.255 1.00 0.00 N ATOM 0 H GLN A 13 5.483 -1.581 -3.775 1.00 0.00 H new ATOM 0 HA GLN A 13 5.852 -4.278 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.752 -1.759 -6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.789 -2.713 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.044 -4.573 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.040 -3.191 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.741 -5.707 -7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.168 -5.558 -9.214 1.00 0.00 H new ATOM 183 N GLU A 14 8.187 -3.329 -4.331 1.00 0.00 N ATOM 184 CA GLU A 14 9.631 -3.102 -4.318 1.00 0.00 C ATOM 185 C GLU A 14 10.068 -2.180 -5.437 1.00 0.00 C ATOM 186 O GLU A 14 9.757 -2.382 -6.611 1.00 0.00 O ATOM 187 CB GLU A 14 10.421 -4.402 -4.395 1.00 0.00 C ATOM 188 CG GLU A 14 11.902 -4.216 -4.082 1.00 0.00 C ATOM 189 CD GLU A 14 12.775 -5.270 -4.735 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.251 -6.356 -5.062 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.982 -5.010 -4.919 1.00 0.00 O ATOM 0 H GLU A 14 7.859 -3.909 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 14 9.847 -2.624 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.995 -5.122 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.316 -4.826 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.219 -3.229 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.048 -4.247 -3.002 1.00 0.00 H new ATOM 198 N ASN A 15 10.783 -1.163 -5.035 1.00 0.00 N ATOM 199 CA ASN A 15 11.284 -0.149 -5.935 1.00 0.00 C ATOM 200 C ASN A 15 12.129 -0.712 -7.066 1.00 0.00 C ATOM 201 O ASN A 15 13.263 -1.142 -6.852 1.00 0.00 O ATOM 202 CB ASN A 15 12.102 0.838 -5.148 1.00 0.00 C ATOM 203 CG ASN A 15 11.661 2.247 -5.401 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.470 3.186 -4.962 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 10.596 2.484 -5.966 1.00 0.00 N flip ATOM 0 H ASN A 15 11.039 -1.010 -4.060 1.00 0.00 H new ATOM 0 HA ASN A 15 10.419 0.328 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.017 0.615 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.154 0.732 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.007 1.716 -6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.301 3.449 -6.115 1.00 0.00 H new ATOM 212 N PRO A 16 11.598 -0.692 -8.295 1.00 0.00 N ATOM 213 CA PRO A 16 12.317 -1.176 -9.467 1.00 0.00 C ATOM 214 C PRO A 16 13.476 -0.264 -9.843 1.00 0.00 C ATOM 215 O PRO A 16 14.155 -0.481 -10.847 1.00 0.00 O ATOM 216 CB PRO A 16 11.256 -1.198 -10.577 1.00 0.00 C ATOM 217 CG PRO A 16 9.949 -0.960 -9.891 1.00 0.00 C ATOM 218 CD PRO A 16 10.266 -0.190 -8.642 1.00 0.00 C ATOM 0 HA PRO A 16 12.767 -2.153 -9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.453 -0.428 -11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.256 -2.155 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.269 -0.399 -10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.457 -1.903 -9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.270 0.886 -8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.541 -0.381 -7.851 1.00 0.00 H new ATOM 226 N PHE A 17 13.711 0.741 -9.012 1.00 0.00 N ATOM 227 CA PHE A 17 14.806 1.679 -9.228 1.00 0.00 C ATOM 228 C PHE A 17 15.837 1.546 -8.132 1.00 0.00 C ATOM 229 O PHE A 17 17.022 1.331 -8.387 1.00 0.00 O ATOM 230 CB PHE A 17 14.335 3.132 -9.232 1.00 0.00 C ATOM 231 CG PHE A 17 12.930 3.354 -8.782 1.00 0.00 C ATOM 232 CD1 PHE A 17 11.866 2.768 -9.441 1.00 0.00 C ATOM 233 CD2 PHE A 17 12.678 4.180 -7.703 1.00 0.00 C ATOM 234 CE1 PHE A 17 10.572 3.004 -9.028 1.00 0.00 C ATOM 235 CE2 PHE A 17 11.390 4.419 -7.283 1.00 0.00 C ATOM 236 CZ PHE A 17 10.330 3.829 -7.946 1.00 0.00 C ATOM 0 H PHE A 17 13.156 0.929 -8.177 1.00 0.00 H new ATOM 0 HA PHE A 17 15.228 1.433 -10.203 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.999 3.712 -8.591 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.441 3.527 -10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 17 12.049 2.120 -10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.503 4.644 -7.183 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.747 2.544 -9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 17 11.207 5.066 -6.438 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.317 4.012 -7.620 1.00 0.00 H new ATOM 246 N PHE A 18 15.371 1.703 -6.904 1.00 0.00 N ATOM 247 CA PHE A 18 16.241 1.631 -5.751 1.00 0.00 C ATOM 248 C PHE A 18 16.550 0.182 -5.393 1.00 0.00 C ATOM 249 O PHE A 18 17.355 -0.096 -4.505 1.00 0.00 O ATOM 250 CB PHE A 18 15.608 2.346 -4.561 1.00 0.00 C ATOM 251 CG PHE A 18 16.591 3.117 -3.728 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.703 2.490 -3.194 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.408 4.469 -3.487 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.616 3.193 -2.434 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.320 5.179 -2.729 1.00 0.00 C ATOM 256 CZ PHE A 18 18.425 4.540 -2.201 1.00 0.00 C ATOM 0 H PHE A 18 14.391 1.882 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 18 17.178 2.129 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.840 3.028 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.109 1.611 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.859 1.437 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 18 15.544 4.973 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.478 2.690 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.169 6.233 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.138 5.093 -1.607 1.00 0.00 H new ATOM 266 N SER A 19 15.902 -0.741 -6.094 1.00 0.00 N ATOM 267 CA SER A 19 16.109 -2.163 -5.849 1.00 0.00 C ATOM 268 C SER A 19 17.540 -2.568 -6.192 1.00 0.00 C ATOM 269 O SER A 19 17.855 -2.850 -7.348 1.00 0.00 O ATOM 270 CB SER A 19 15.119 -2.994 -6.668 1.00 0.00 C ATOM 271 OG SER A 19 15.619 -4.299 -6.905 1.00 0.00 O ATOM 0 H SER A 19 15.232 -0.531 -6.834 1.00 0.00 H new ATOM 0 HA SER A 19 15.939 -2.354 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.168 -3.056 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.923 -2.498 -7.619 1.00 0.00 H new ATOM 0 HG SER A 19 15.210 -4.926 -6.273 1.00 0.00 H new ATOM 277 N GLN A 20 18.405 -2.587 -5.181 1.00 0.00 N ATOM 278 CA GLN A 20 19.806 -2.950 -5.379 1.00 0.00 C ATOM 279 C GLN A 20 20.281 -3.897 -4.284 1.00 0.00 C ATOM 280 O GLN A 20 19.871 -3.776 -3.131 1.00 0.00 O ATOM 281 CB GLN A 20 20.674 -1.689 -5.388 1.00 0.00 C ATOM 282 CG GLN A 20 22.138 -1.952 -5.076 1.00 0.00 C ATOM 283 CD GLN A 20 23.075 -1.295 -6.069 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.534 -1.928 -7.020 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.361 -0.015 -5.856 1.00 0.00 N ATOM 0 H GLN A 20 18.161 -2.356 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 20 19.897 -3.460 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.600 -1.215 -6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.278 -0.981 -4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.363 -1.587 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.317 -3.027 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.958 0.471 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.983 0.481 -6.494 1.00 0.00 H new ATOM 294 N PRO A 21 21.164 -4.850 -4.626 1.00 0.00 N ATOM 295 CA PRO A 21 21.704 -5.809 -3.663 1.00 0.00 C ATOM 296 C PRO A 21 22.121 -5.121 -2.370 1.00 0.00 C ATOM 297 O PRO A 21 23.289 -4.783 -2.181 1.00 0.00 O ATOM 298 CB PRO A 21 22.925 -6.409 -4.379 1.00 0.00 C ATOM 299 CG PRO A 21 23.061 -5.666 -5.672 1.00 0.00 C ATOM 300 CD PRO A 21 21.716 -5.066 -5.965 1.00 0.00 C ATOM 0 HA PRO A 21 20.971 -6.562 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 21 23.824 -6.301 -3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.787 -7.476 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.823 -4.890 -5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.369 -6.337 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.801 -4.134 -6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.093 -5.737 -6.557 1.00 0.00 H new ATOM 308 N GLY A 22 21.148 -4.900 -1.494 1.00 0.00 N ATOM 309 CA GLY A 22 21.413 -4.235 -0.234 1.00 0.00 C ATOM 310 C GLY A 22 20.329 -3.238 0.112 1.00 0.00 C ATOM 311 O GLY A 22 20.219 -2.797 1.256 1.00 0.00 O ATOM 0 H GLY A 22 20.175 -5.172 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.491 -4.978 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.374 -3.724 -0.288 1.00 0.00 H new ATOM 315 N ALA A 23 19.524 -2.888 -0.884 1.00 0.00 N ATOM 316 CA ALA A 23 18.435 -1.942 -0.690 1.00 0.00 C ATOM 317 C ALA A 23 17.331 -2.171 -1.694 1.00 0.00 C ATOM 318 O ALA A 23 17.416 -1.777 -2.857 1.00 0.00 O ATOM 319 CB ALA A 23 18.949 -0.515 -0.763 1.00 0.00 C ATOM 0 H ALA A 23 19.606 -3.247 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 23 18.018 -2.104 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.121 0.178 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.697 -0.357 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.399 -0.340 -1.740 1.00 0.00 H new ATOM 325 N PRO A 24 16.291 -2.848 -1.230 1.00 0.00 N ATOM 326 CA PRO A 24 15.136 -3.212 -2.011 1.00 0.00 C ATOM 327 C PRO A 24 13.932 -2.335 -1.723 1.00 0.00 C ATOM 328 O PRO A 24 12.883 -2.813 -1.294 1.00 0.00 O ATOM 329 CB PRO A 24 14.907 -4.633 -1.516 1.00 0.00 C ATOM 330 CG PRO A 24 15.387 -4.637 -0.087 1.00 0.00 C ATOM 331 CD PRO A 24 16.166 -3.369 0.125 1.00 0.00 C ATOM 0 HA PRO A 24 15.281 -3.107 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.854 -4.906 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.460 -5.354 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.544 -4.690 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.012 -5.509 0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.641 -2.674 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.139 -3.561 0.578 1.00 0.00 H new ATOM 339 N ILE A 25 14.106 -1.052 -1.970 1.00 0.00 N ATOM 340 CA ILE A 25 13.079 -0.069 -1.766 1.00 0.00 C ATOM 341 C ILE A 25 11.707 -0.553 -2.192 1.00 0.00 C ATOM 342 O ILE A 25 11.523 -1.721 -2.526 1.00 0.00 O ATOM 343 CB ILE A 25 13.475 1.184 -2.516 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.701 1.736 -1.844 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.363 2.209 -2.490 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.477 1.886 -0.365 1.00 0.00 C ATOM 0 H ILE A 25 14.981 -0.665 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 25 12.996 0.135 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 25 13.672 0.948 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.548 1.074 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.955 2.703 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.676 3.099 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.472 1.791 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.140 2.477 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.377 2.287 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.644 2.567 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.247 0.913 0.069 1.00 0.00 H new ATOM 358 N LEU A 26 10.721 0.332 -2.094 1.00 0.00 N ATOM 359 CA LEU A 26 9.358 -0.044 -2.370 1.00 0.00 C ATOM 360 C LEU A 26 8.502 1.056 -2.934 1.00 0.00 C ATOM 361 O LEU A 26 8.971 2.053 -3.475 1.00 0.00 O ATOM 362 CB LEU A 26 8.789 -0.466 -1.043 1.00 0.00 C ATOM 363 CG LEU A 26 9.877 -0.628 -0.007 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.381 -0.243 1.369 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.417 -2.047 -0.011 1.00 0.00 C ATOM 0 H LEU A 26 10.849 1.308 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 26 9.360 -0.822 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.066 0.276 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.250 -1.407 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 26 10.692 0.047 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.185 -0.370 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.060 0.798 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.541 -0.880 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.199 -2.141 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.610 -2.744 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.830 -2.276 -0.993 1.00 0.00 H new ATOM 377 N GLN A 27 7.221 0.819 -2.783 1.00 0.00 N ATOM 378 CA GLN A 27 6.190 1.736 -3.246 1.00 0.00 C ATOM 379 C GLN A 27 4.856 1.005 -3.340 1.00 0.00 C ATOM 380 O GLN A 27 4.587 0.293 -4.307 1.00 0.00 O ATOM 381 CB GLN A 27 6.594 2.347 -4.590 1.00 0.00 C ATOM 382 CG GLN A 27 5.438 2.577 -5.555 1.00 0.00 C ATOM 383 CD GLN A 27 5.631 1.853 -6.874 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.332 0.844 -6.945 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.010 2.368 -7.928 1.00 0.00 N ATOM 0 H GLN A 27 6.855 -0.020 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 27 6.079 2.552 -2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.092 3.299 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.324 1.693 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.510 2.241 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.332 3.646 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.438 3.206 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.104 1.925 -8.842 1.00 0.00 H new ATOM 394 N CYS A 28 4.040 1.170 -2.306 1.00 0.00 N ATOM 395 CA CYS A 28 2.742 0.513 -2.230 1.00 0.00 C ATOM 396 C CYS A 28 1.948 0.680 -3.523 1.00 0.00 C ATOM 397 O CYS A 28 1.386 1.744 -3.786 1.00 0.00 O ATOM 398 CB CYS A 28 1.930 1.042 -1.041 1.00 0.00 C ATOM 399 SG CYS A 28 1.800 -0.152 0.334 1.00 0.00 S ATOM 0 H CYS A 28 4.258 1.759 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 28 2.928 -0.551 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.391 1.959 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.928 1.303 -1.382 1.00 0.00 H new ATOM 404 N MET A 29 1.901 -0.382 -4.324 1.00 0.00 N ATOM 405 CA MET A 29 1.169 -0.365 -5.586 1.00 0.00 C ATOM 406 C MET A 29 -0.005 -1.338 -5.535 1.00 0.00 C ATOM 407 O MET A 29 -0.393 -1.800 -4.461 1.00 0.00 O ATOM 408 CB MET A 29 2.101 -0.729 -6.747 1.00 0.00 C ATOM 409 CG MET A 29 2.242 0.369 -7.791 1.00 0.00 C ATOM 410 SD MET A 29 0.977 0.281 -9.075 1.00 0.00 S ATOM 411 CE MET A 29 1.922 -0.392 -10.440 1.00 0.00 C ATOM 0 H MET A 29 2.363 -1.268 -4.119 1.00 0.00 H new ATOM 0 HA MET A 29 0.783 0.642 -5.746 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.087 -0.966 -6.348 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.727 -1.631 -7.231 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.187 1.340 -7.300 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.227 0.301 -8.253 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.275 -0.505 -11.310 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.742 0.284 -10.683 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.325 -1.365 -10.159 1.00 0.00 H new ATOM 421 N GLY A 30 -0.569 -1.650 -6.697 1.00 0.00 N ATOM 422 CA GLY A 30 -1.690 -2.570 -6.752 1.00 0.00 C ATOM 423 C GLY A 30 -3.028 -1.866 -6.634 1.00 0.00 C ATOM 424 O GLY A 30 -3.198 -0.750 -7.123 1.00 0.00 O ATOM 0 H GLY A 30 -0.270 -1.283 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.656 -3.123 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.596 -3.300 -5.948 1.00 0.00 H new ATOM 428 N CYS A 31 -3.983 -2.524 -5.982 1.00 0.00 N ATOM 429 CA CYS A 31 -5.314 -1.959 -5.801 1.00 0.00 C ATOM 430 C CYS A 31 -5.993 -2.550 -4.570 1.00 0.00 C ATOM 431 O CYS A 31 -5.779 -3.713 -4.229 1.00 0.00 O ATOM 432 CB CYS A 31 -6.171 -2.210 -7.044 1.00 0.00 C ATOM 433 SG CYS A 31 -5.254 -2.912 -8.455 1.00 0.00 S ATOM 0 H CYS A 31 -3.858 -3.449 -5.571 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.209 -0.884 -5.653 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.984 -2.887 -6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.627 -1.269 -7.353 1.00 0.00 H new ATOM 438 N CYS A 32 -6.812 -1.739 -3.907 1.00 0.00 N ATOM 439 CA CYS A 32 -7.526 -2.179 -2.714 1.00 0.00 C ATOM 440 C CYS A 32 -8.969 -2.543 -3.047 1.00 0.00 C ATOM 441 O CYS A 32 -9.369 -2.535 -4.211 1.00 0.00 O ATOM 442 CB CYS A 32 -7.503 -1.081 -1.647 1.00 0.00 C ATOM 443 SG CYS A 32 -6.036 -1.120 -0.568 1.00 0.00 S ATOM 0 H CYS A 32 -6.997 -0.773 -4.176 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.024 -3.066 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.552 -0.110 -2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.397 -1.171 -1.030 1.00 0.00 H new ATOM 448 N PHE A 33 -9.747 -2.856 -2.017 1.00 0.00 N ATOM 449 CA PHE A 33 -11.148 -3.218 -2.199 1.00 0.00 C ATOM 450 C PHE A 33 -12.006 -2.643 -1.076 1.00 0.00 C ATOM 451 O PHE A 33 -12.959 -1.905 -1.324 1.00 0.00 O ATOM 452 CB PHE A 33 -11.305 -4.739 -2.243 1.00 0.00 C ATOM 453 CG PHE A 33 -10.098 -5.458 -2.773 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.683 -5.272 -4.083 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.381 -6.323 -1.963 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.573 -5.935 -4.572 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.270 -6.987 -2.447 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.866 -6.793 -3.753 1.00 0.00 C ATOM 0 H PHE A 33 -9.431 -2.866 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.485 -2.798 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.520 -5.102 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.166 -4.988 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.233 -4.602 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.694 -6.480 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.259 -5.782 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.718 -7.657 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.998 -7.312 -4.133 1.00 0.00 H new ATOM 468 N SER A 34 -11.658 -2.990 0.159 1.00 0.00 N ATOM 469 CA SER A 34 -12.393 -2.512 1.325 1.00 0.00 C ATOM 470 C SER A 34 -11.604 -2.780 2.604 1.00 0.00 C ATOM 471 O SER A 34 -10.412 -2.486 2.677 1.00 0.00 O ATOM 472 CB SER A 34 -13.768 -3.182 1.397 1.00 0.00 C ATOM 473 OG SER A 34 -13.669 -4.492 1.925 1.00 0.00 O ATOM 0 H SER A 34 -10.871 -3.601 0.378 1.00 0.00 H new ATOM 0 HA SER A 34 -12.533 -1.436 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.435 -2.585 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.210 -3.220 0.401 1.00 0.00 H new ATOM 0 HG SER A 34 -14.560 -4.898 1.962 1.00 0.00 H new ATOM 479 N ARG A 35 -12.270 -3.339 3.611 1.00 0.00 N ATOM 480 CA ARG A 35 -11.616 -3.641 4.880 1.00 0.00 C ATOM 481 C ARG A 35 -12.477 -4.570 5.730 1.00 0.00 C ATOM 482 O ARG A 35 -13.431 -4.133 6.374 1.00 0.00 O ATOM 483 CB ARG A 35 -11.327 -2.350 5.647 1.00 0.00 C ATOM 484 CG ARG A 35 -10.845 -2.585 7.069 1.00 0.00 C ATOM 485 CD ARG A 35 -11.492 -1.614 8.043 1.00 0.00 C ATOM 486 NE ARG A 35 -10.955 -1.754 9.393 1.00 0.00 N ATOM 487 CZ ARG A 35 -11.026 -0.801 10.315 1.00 0.00 C ATOM 488 NH1 ARG A 35 -11.609 0.356 10.029 1.00 0.00 N ATOM 489 NH2 ARG A 35 -10.515 -1.000 11.520 1.00 0.00 N ATOM 0 H ARG A 35 -13.258 -3.591 3.573 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.675 -4.146 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.574 -1.776 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.232 -1.742 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.073 -3.608 7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.761 -2.475 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.336 -0.593 7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.569 -1.783 8.062 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.500 -2.632 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.002 0.513 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.664 1.088 10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.065 -1.888 11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.571 -0.266 12.226 1.00 0.00 H new ATOM 503 N ALA A 36 -12.131 -5.854 5.729 1.00 0.00 N ATOM 504 CA ALA A 36 -12.866 -6.847 6.502 1.00 0.00 C ATOM 505 C ALA A 36 -14.345 -6.855 6.136 1.00 0.00 C ATOM 506 O ALA A 36 -14.873 -5.873 5.613 1.00 0.00 O ATOM 507 CB ALA A 36 -12.697 -6.589 7.990 1.00 0.00 C ATOM 0 H ALA A 36 -11.344 -6.231 5.200 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.455 -7.827 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.252 -7.339 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.640 -6.646 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.078 -5.597 8.233 1.00 0.00 H new ATOM 513 N TYR A 37 -15.006 -7.973 6.421 1.00 0.00 N ATOM 514 CA TYR A 37 -16.428 -8.128 6.134 1.00 0.00 C ATOM 515 C TYR A 37 -16.846 -7.278 4.941 1.00 0.00 C ATOM 516 O TYR A 37 -17.494 -6.243 5.097 1.00 0.00 O ATOM 517 CB TYR A 37 -17.265 -7.750 7.356 1.00 0.00 C ATOM 518 CG TYR A 37 -16.764 -8.357 8.646 1.00 0.00 C ATOM 519 CD1 TYR A 37 -15.938 -9.473 8.636 1.00 0.00 C ATOM 520 CD2 TYR A 37 -17.120 -7.814 9.875 1.00 0.00 C ATOM 521 CE1 TYR A 37 -15.479 -10.032 9.813 1.00 0.00 C ATOM 522 CE2 TYR A 37 -16.665 -8.367 11.057 1.00 0.00 C ATOM 523 CZ TYR A 37 -15.846 -9.475 11.020 1.00 0.00 C ATOM 524 OH TYR A 37 -15.391 -10.028 12.194 1.00 0.00 O ATOM 0 H TYR A 37 -14.576 -8.790 6.854 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.604 -9.176 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.277 -6.665 7.456 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.295 -8.066 7.192 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.649 -9.911 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.762 -6.946 9.907 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.837 -10.900 9.788 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.950 -7.933 12.004 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.740 -9.516 12.953 1.00 0.00 H new ATOM 534 N PRO A 38 -16.479 -7.713 3.729 1.00 0.00 N ATOM 535 CA PRO A 38 -16.816 -7.000 2.493 1.00 0.00 C ATOM 536 C PRO A 38 -18.308 -6.968 2.230 1.00 0.00 C ATOM 537 O PRO A 38 -18.780 -6.357 1.272 1.00 0.00 O ATOM 538 CB PRO A 38 -16.106 -7.804 1.405 1.00 0.00 C ATOM 539 CG PRO A 38 -15.882 -9.153 1.998 1.00 0.00 C ATOM 540 CD PRO A 38 -15.708 -8.938 3.474 1.00 0.00 C ATOM 0 HA PRO A 38 -16.510 -5.955 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.714 -7.867 0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.163 -7.337 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.727 -9.812 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.000 -9.626 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.089 -9.781 4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.659 -8.816 3.742 1.00 0.00 H new ATOM 548 N THR A 39 -19.034 -7.639 3.094 1.00 0.00 N ATOM 549 CA THR A 39 -20.485 -7.717 2.992 1.00 0.00 C ATOM 550 C THR A 39 -20.909 -8.013 1.559 1.00 0.00 C ATOM 551 O THR A 39 -20.938 -7.120 0.710 1.00 0.00 O ATOM 552 CB THR A 39 -21.125 -6.410 3.464 1.00 0.00 C ATOM 553 OG1 THR A 39 -20.717 -5.328 2.647 1.00 0.00 O ATOM 554 CG2 THR A 39 -20.789 -6.057 4.897 1.00 0.00 C ATOM 0 H THR A 39 -18.643 -8.147 3.887 1.00 0.00 H new ATOM 0 HA THR A 39 -20.826 -8.530 3.633 1.00 0.00 H new ATOM 0 HB THR A 39 -22.200 -6.576 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.348 -5.673 1.807 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.276 -5.119 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.139 -6.849 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.710 -5.948 5.001 1.00 0.00 H new ATOM 562 N PRO A 40 -21.241 -9.278 1.271 1.00 0.00 N ATOM 563 CA PRO A 40 -21.667 -9.704 -0.066 1.00 0.00 C ATOM 564 C PRO A 40 -22.939 -8.991 -0.508 1.00 0.00 C ATOM 565 O PRO A 40 -23.337 -7.990 0.087 1.00 0.00 O ATOM 566 CB PRO A 40 -21.917 -11.209 0.092 1.00 0.00 C ATOM 567 CG PRO A 40 -21.177 -11.596 1.327 1.00 0.00 C ATOM 568 CD PRO A 40 -21.232 -10.394 2.225 1.00 0.00 C ATOM 0 HA PRO A 40 -20.923 -9.470 -0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -22.981 -11.424 0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -21.555 -11.762 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -21.636 -12.462 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.146 -11.867 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -22.123 -10.398 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.372 -10.348 2.893 1.00 0.00 H new ATOM 576 N LEU A 41 -23.575 -9.511 -1.552 1.00 0.00 N ATOM 577 CA LEU A 41 -24.803 -8.918 -2.064 1.00 0.00 C ATOM 578 C LEU A 41 -24.535 -7.541 -2.658 1.00 0.00 C ATOM 579 O LEU A 41 -23.717 -6.779 -2.143 1.00 0.00 O ATOM 580 CB LEU A 41 -25.844 -8.811 -0.950 1.00 0.00 C ATOM 581 CG LEU A 41 -26.477 -10.138 -0.530 1.00 0.00 C ATOM 582 CD1 LEU A 41 -27.604 -9.901 0.462 1.00 0.00 C ATOM 583 CD2 LEU A 41 -26.983 -10.893 -1.749 1.00 0.00 C ATOM 0 H LEU A 41 -23.261 -10.339 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 41 -25.189 -9.565 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -25.375 -8.357 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -26.635 -8.135 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 41 -25.716 -10.746 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -28.043 -10.857 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -27.210 -9.401 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -28.368 -9.275 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -27.431 -11.835 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -27.731 -10.291 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.151 -11.095 -2.423 1.00 0.00 H new ATOM 595 N ARG A 42 -25.230 -7.229 -3.744 1.00 0.00 N ATOM 596 CA ARG A 42 -25.068 -5.944 -4.411 1.00 0.00 C ATOM 597 C ARG A 42 -26.376 -5.160 -4.402 1.00 0.00 C ATOM 598 O ARG A 42 -27.003 -4.968 -5.443 1.00 0.00 O ATOM 599 CB ARG A 42 -24.594 -6.155 -5.850 1.00 0.00 C ATOM 600 CG ARG A 42 -23.753 -5.010 -6.390 1.00 0.00 C ATOM 601 CD ARG A 42 -24.147 -4.654 -7.814 1.00 0.00 C ATOM 602 NE ARG A 42 -23.059 -4.890 -8.759 1.00 0.00 N ATOM 603 CZ ARG A 42 -22.059 -4.038 -8.959 1.00 0.00 C ATOM 604 NH1 ARG A 42 -22.007 -2.903 -8.275 1.00 0.00 N ATOM 605 NH2 ARG A 42 -21.109 -4.322 -9.839 1.00 0.00 N ATOM 0 H ARG A 42 -25.912 -7.849 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 42 -24.318 -5.368 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -24.013 -7.076 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -25.463 -6.291 -6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -23.871 -4.136 -5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -22.699 -5.286 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -25.016 -5.243 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -24.443 -3.606 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 42 -23.067 -5.757 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -22.735 -2.684 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -21.239 -2.249 -8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -21.145 -5.196 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -20.342 -3.667 -9.991 1.00 0.00 H new ATOM 619 N SER A 43 -26.785 -4.712 -3.218 1.00 0.00 N ATOM 620 CA SER A 43 -28.021 -3.953 -3.076 1.00 0.00 C ATOM 621 C SER A 43 -27.732 -2.487 -2.768 1.00 0.00 C ATOM 622 O SER A 43 -28.299 -1.913 -1.838 1.00 0.00 O ATOM 623 CB SER A 43 -28.892 -4.557 -1.974 1.00 0.00 C ATOM 624 OG SER A 43 -28.272 -4.433 -0.704 1.00 0.00 O ATOM 0 H SER A 43 -26.279 -4.862 -2.345 1.00 0.00 H new ATOM 0 HA SER A 43 -28.558 -4.005 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 43 -29.861 -4.058 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 43 -29.078 -5.609 -2.190 1.00 0.00 H new ATOM 0 HG SER A 43 -28.100 -3.487 -0.515 1.00 0.00 H new ATOM 630 N LYS A 44 -26.849 -1.887 -3.559 1.00 0.00 N ATOM 631 CA LYS A 44 -26.485 -0.486 -3.375 1.00 0.00 C ATOM 632 C LYS A 44 -26.952 0.351 -4.561 1.00 0.00 C ATOM 633 O LYS A 44 -26.293 0.398 -5.600 1.00 0.00 O ATOM 634 CB LYS A 44 -24.973 -0.351 -3.196 1.00 0.00 C ATOM 635 CG LYS A 44 -24.552 -0.089 -1.759 1.00 0.00 C ATOM 636 CD LYS A 44 -23.511 -1.092 -1.292 1.00 0.00 C ATOM 637 CE LYS A 44 -24.092 -2.074 -0.287 1.00 0.00 C ATOM 638 NZ LYS A 44 -23.239 -2.193 0.928 1.00 0.00 N ATOM 0 H LYS A 44 -26.372 -2.348 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 44 -26.980 -0.117 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -24.491 -1.264 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -24.612 0.462 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -24.149 0.920 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -25.425 -0.139 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.120 -1.638 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.671 -0.563 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -25.092 -1.750 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.197 -3.053 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.669 -2.871 1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -22.292 -2.527 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.160 -1.264 1.389 1.00 0.00 H new ATOM 652 N LYS A 45 -28.096 1.009 -4.400 1.00 0.00 N ATOM 653 CA LYS A 45 -28.657 1.842 -5.458 1.00 0.00 C ATOM 654 C LYS A 45 -28.220 3.295 -5.305 1.00 0.00 C ATOM 655 O LYS A 45 -28.862 4.078 -4.606 1.00 0.00 O ATOM 656 CB LYS A 45 -30.186 1.754 -5.454 1.00 0.00 C ATOM 657 CG LYS A 45 -30.758 1.063 -4.225 1.00 0.00 C ATOM 658 CD LYS A 45 -30.691 1.960 -2.998 1.00 0.00 C ATOM 659 CE LYS A 45 -31.039 1.197 -1.729 1.00 0.00 C ATOM 660 NZ LYS A 45 -30.982 2.068 -0.523 1.00 0.00 N ATOM 0 H LYS A 45 -28.653 0.981 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.281 1.469 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -30.599 2.761 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -30.512 1.218 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -31.794 0.781 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -30.206 0.142 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -29.689 2.380 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -31.378 2.797 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -32.039 0.773 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -30.349 0.362 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -31.226 1.510 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -30.022 2.453 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -31.659 2.851 -0.628 1.00 0.00 H new ATOM 674 N THR A 46 -27.123 3.648 -5.969 1.00 0.00 N ATOM 675 CA THR A 46 -26.599 5.008 -5.913 1.00 0.00 C ATOM 676 C THR A 46 -27.657 6.018 -6.351 1.00 0.00 C ATOM 677 O THR A 46 -28.721 5.642 -6.845 1.00 0.00 O ATOM 678 CB THR A 46 -25.361 5.130 -6.805 1.00 0.00 C ATOM 679 OG1 THR A 46 -24.506 6.159 -6.343 1.00 0.00 O ATOM 680 CG2 THR A 46 -25.696 5.425 -8.251 1.00 0.00 C ATOM 0 H THR A 46 -26.580 3.011 -6.552 1.00 0.00 H new ATOM 0 HA THR A 46 -26.322 5.225 -4.881 1.00 0.00 H new ATOM 0 HB THR A 46 -24.870 4.159 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 46 -23.721 6.218 -6.926 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.775 5.499 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 46 -26.313 4.622 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 46 -26.241 6.367 -8.313 1.00 0.00 H new ATOM 688 N MET A 47 -27.359 7.302 -6.170 1.00 0.00 N ATOM 689 CA MET A 47 -28.286 8.363 -6.550 1.00 0.00 C ATOM 690 C MET A 47 -27.572 9.711 -6.617 1.00 0.00 C ATOM 691 O MET A 47 -28.151 10.748 -6.294 1.00 0.00 O ATOM 692 CB MET A 47 -29.446 8.438 -5.552 1.00 0.00 C ATOM 693 CG MET A 47 -29.460 7.295 -4.548 1.00 0.00 C ATOM 694 SD MET A 47 -30.498 7.642 -3.114 1.00 0.00 S ATOM 695 CE MET A 47 -32.132 7.445 -3.820 1.00 0.00 C ATOM 0 H MET A 47 -26.484 7.632 -5.763 1.00 0.00 H new ATOM 0 HA MET A 47 -28.680 8.130 -7.539 1.00 0.00 H new ATOM 0 HB2 MET A 47 -29.390 9.384 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 47 -30.387 8.440 -6.101 1.00 0.00 H new ATOM 0 HG2 MET A 47 -29.817 6.390 -5.039 1.00 0.00 H new ATOM 0 HG3 MET A 47 -28.441 7.097 -4.215 1.00 0.00 H new ATOM 0 HE1 MET A 47 -32.884 7.628 -3.053 1.00 0.00 H new ATOM 0 HE2 MET A 47 -32.264 8.156 -4.635 1.00 0.00 H new ATOM 0 HE3 MET A 47 -32.243 6.430 -4.202 1.00 0.00 H new ATOM 705 N LEU A 48 -26.311 9.686 -7.036 1.00 0.00 N ATOM 706 CA LEU A 48 -25.516 10.904 -7.144 1.00 0.00 C ATOM 707 C LEU A 48 -24.540 10.818 -8.313 1.00 0.00 C ATOM 708 O LEU A 48 -23.491 10.181 -8.215 1.00 0.00 O ATOM 709 CB LEU A 48 -24.753 11.152 -5.841 1.00 0.00 C ATOM 710 CG LEU A 48 -24.017 12.491 -5.765 1.00 0.00 C ATOM 711 CD1 LEU A 48 -25.009 13.643 -5.745 1.00 0.00 C ATOM 712 CD2 LEU A 48 -23.121 12.535 -4.536 1.00 0.00 C ATOM 0 H LEU A 48 -25.817 8.835 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.194 11.738 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -25.456 11.094 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -24.029 10.349 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 48 -23.391 12.593 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -24.468 14.588 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -25.611 13.621 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -25.660 13.547 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -22.604 13.494 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -23.728 12.412 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.388 11.730 -4.591 1.00 0.00 H new ATOM 724 N VAL A 49 -24.894 11.464 -9.420 1.00 0.00 N ATOM 725 CA VAL A 49 -24.053 11.462 -10.613 1.00 0.00 C ATOM 726 C VAL A 49 -23.706 10.039 -11.038 1.00 0.00 C ATOM 727 O VAL A 49 -23.032 9.310 -10.311 1.00 0.00 O ATOM 728 CB VAL A 49 -22.749 12.253 -10.391 1.00 0.00 C ATOM 729 CG1 VAL A 49 -22.427 13.107 -11.609 1.00 0.00 C ATOM 730 CG2 VAL A 49 -22.847 13.114 -9.143 1.00 0.00 C ATOM 0 H VAL A 49 -25.759 11.996 -9.516 1.00 0.00 H new ATOM 0 HA VAL A 49 -24.628 11.946 -11.402 1.00 0.00 H new ATOM 0 HB VAL A 49 -21.937 11.539 -10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.503 13.658 -11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -22.306 12.465 -12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -23.241 13.810 -11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -21.916 13.663 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -23.671 13.819 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.024 12.478 -8.275 1.00 0.00 H new ATOM 740 N GLN A 50 -24.171 9.650 -12.221 1.00 0.00 N ATOM 741 CA GLN A 50 -23.913 8.313 -12.742 1.00 0.00 C ATOM 742 C GLN A 50 -22.726 8.317 -13.701 1.00 0.00 C ATOM 743 O GLN A 50 -22.722 7.604 -14.704 1.00 0.00 O ATOM 744 CB GLN A 50 -25.156 7.768 -13.451 1.00 0.00 C ATOM 745 CG GLN A 50 -26.161 8.843 -13.838 1.00 0.00 C ATOM 746 CD GLN A 50 -27.470 8.263 -14.343 1.00 0.00 C ATOM 747 OE1 GLN A 50 -27.485 7.239 -15.025 1.00 0.00 O ATOM 748 NE2 GLN A 50 -28.578 8.916 -14.008 1.00 0.00 N ATOM 0 H GLN A 50 -24.728 10.242 -12.837 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.671 7.666 -11.899 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.846 7.233 -14.349 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -25.645 7.043 -12.801 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -26.358 9.478 -12.975 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -25.728 9.479 -14.610 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -28.520 9.762 -13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -29.487 8.571 -14.318 1.00 0.00 H new ATOM 757 N LYS A 51 -21.720 9.127 -13.386 1.00 0.00 N ATOM 758 CA LYS A 51 -20.526 9.224 -14.219 1.00 0.00 C ATOM 759 C LYS A 51 -19.277 8.862 -13.421 1.00 0.00 C ATOM 760 O LYS A 51 -18.184 9.354 -13.702 1.00 0.00 O ATOM 761 CB LYS A 51 -20.387 10.638 -14.792 1.00 0.00 C ATOM 762 CG LYS A 51 -21.649 11.480 -14.668 1.00 0.00 C ATOM 763 CD LYS A 51 -22.274 11.747 -16.027 1.00 0.00 C ATOM 764 CE LYS A 51 -23.786 11.599 -15.980 1.00 0.00 C ATOM 765 NZ LYS A 51 -24.425 12.016 -17.258 1.00 0.00 N ATOM 0 H LYS A 51 -21.708 9.726 -12.560 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.630 8.516 -15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.570 11.148 -14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.111 10.568 -15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.369 10.968 -14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.410 12.427 -14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.015 12.753 -16.357 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.862 11.055 -16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.043 10.561 -15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.184 12.200 -15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.456 11.900 -17.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.202 13.014 -17.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.065 11.426 -18.035 1.00 0.00 H new ATOM 779 N ASN A 52 -19.448 7.999 -12.423 1.00 0.00 N ATOM 780 CA ASN A 52 -18.337 7.568 -11.580 1.00 0.00 C ATOM 781 C ASN A 52 -18.042 8.602 -10.498 1.00 0.00 C ATOM 782 O ASN A 52 -17.228 9.505 -10.692 1.00 0.00 O ATOM 783 CB ASN A 52 -17.085 7.325 -12.427 1.00 0.00 C ATOM 784 CG ASN A 52 -17.401 6.683 -13.763 1.00 0.00 C ATOM 785 OD1 ASN A 52 -18.255 5.800 -13.854 1.00 0.00 O ATOM 786 ND2 ASN A 52 -16.710 7.120 -14.809 1.00 0.00 N ATOM 0 H ASN A 52 -20.347 7.584 -12.178 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.624 6.634 -11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.575 8.274 -12.595 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.396 6.686 -11.875 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.878 6.722 -15.733 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.012 7.854 -14.688 1.00 0.00 H new ATOM 793 N VAL A 53 -18.709 8.462 -9.355 1.00 0.00 N ATOM 794 CA VAL A 53 -18.518 9.384 -8.240 1.00 0.00 C ATOM 795 C VAL A 53 -17.036 9.579 -7.933 1.00 0.00 C ATOM 796 O VAL A 53 -16.170 9.122 -8.679 1.00 0.00 O ATOM 797 CB VAL A 53 -19.231 8.888 -6.966 1.00 0.00 C ATOM 798 CG1 VAL A 53 -20.624 8.373 -7.295 1.00 0.00 C ATOM 799 CG2 VAL A 53 -18.406 7.813 -6.275 1.00 0.00 C ATOM 0 H VAL A 53 -19.386 7.720 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.954 10.336 -8.544 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.335 9.730 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -21.109 8.028 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -21.213 9.176 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.549 7.546 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.926 7.476 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.266 6.970 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.434 8.222 -5.999 1.00 0.00 H new ATOM 809 N THR A 54 -16.753 10.261 -6.828 1.00 0.00 N ATOM 810 CA THR A 54 -15.378 10.519 -6.416 1.00 0.00 C ATOM 811 C THR A 54 -14.779 9.299 -5.723 1.00 0.00 C ATOM 812 O THR A 54 -15.190 8.166 -5.975 1.00 0.00 O ATOM 813 CB THR A 54 -15.325 11.728 -5.481 1.00 0.00 C ATOM 814 OG1 THR A 54 -15.863 11.400 -4.212 1.00 0.00 O ATOM 815 CG2 THR A 54 -16.086 12.925 -6.007 1.00 0.00 C ATOM 0 H THR A 54 -17.459 10.646 -6.201 1.00 0.00 H new ATOM 0 HA THR A 54 -14.790 10.731 -7.309 1.00 0.00 H new ATOM 0 HB THR A 54 -14.270 11.993 -5.408 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.820 12.184 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.008 13.747 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.665 13.232 -6.964 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.135 12.659 -6.141 1.00 0.00 H new ATOM 823 N SER A 55 -13.807 9.538 -4.850 1.00 0.00 N ATOM 824 CA SER A 55 -13.153 8.457 -4.120 1.00 0.00 C ATOM 825 C SER A 55 -13.478 8.532 -2.632 1.00 0.00 C ATOM 826 O SER A 55 -13.047 9.453 -1.937 1.00 0.00 O ATOM 827 CB SER A 55 -11.638 8.517 -4.326 1.00 0.00 C ATOM 828 OG SER A 55 -11.319 8.805 -5.675 1.00 0.00 O ATOM 0 H SER A 55 -13.454 10.470 -4.630 1.00 0.00 H new ATOM 0 HA SER A 55 -13.528 7.510 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.209 9.280 -3.677 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.191 7.566 -4.038 1.00 0.00 H new ATOM 0 HG SER A 55 -10.345 8.840 -5.781 1.00 0.00 H new ATOM 834 N GLU A 56 -14.239 7.559 -2.146 1.00 0.00 N ATOM 835 CA GLU A 56 -14.618 7.518 -0.739 1.00 0.00 C ATOM 836 C GLU A 56 -14.725 6.079 -0.245 1.00 0.00 C ATOM 837 O GLU A 56 -15.820 5.588 0.033 1.00 0.00 O ATOM 838 CB GLU A 56 -15.946 8.246 -0.525 1.00 0.00 C ATOM 839 CG GLU A 56 -16.842 8.256 -1.754 1.00 0.00 C ATOM 840 CD GLU A 56 -17.546 6.931 -1.975 1.00 0.00 C ATOM 841 OE1 GLU A 56 -16.888 5.983 -2.455 1.00 0.00 O ATOM 842 OE2 GLU A 56 -18.753 6.841 -1.670 1.00 0.00 O ATOM 0 H GLU A 56 -14.606 6.788 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.841 8.022 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.480 7.774 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.743 9.274 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.586 9.045 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.244 8.496 -2.633 1.00 0.00 H new ATOM 849 N SER A 57 -13.582 5.407 -0.141 1.00 0.00 N ATOM 850 CA SER A 57 -13.550 4.023 0.318 1.00 0.00 C ATOM 851 C SER A 57 -12.243 3.714 1.044 1.00 0.00 C ATOM 852 O SER A 57 -12.097 4.013 2.230 1.00 0.00 O ATOM 853 CB SER A 57 -13.723 3.071 -0.865 1.00 0.00 C ATOM 854 OG SER A 57 -13.095 3.584 -2.028 1.00 0.00 O ATOM 0 H SER A 57 -12.668 5.798 -0.368 1.00 0.00 H new ATOM 0 HA SER A 57 -14.373 3.882 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.299 2.098 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.784 2.916 -1.059 1.00 0.00 H new ATOM 0 HG SER A 57 -13.218 2.956 -2.770 1.00 0.00 H new ATOM 860 N THR A 58 -11.299 3.111 0.327 1.00 0.00 N ATOM 861 CA THR A 58 -10.006 2.756 0.906 1.00 0.00 C ATOM 862 C THR A 58 -8.906 3.684 0.396 1.00 0.00 C ATOM 863 O THR A 58 -9.178 4.659 -0.304 1.00 0.00 O ATOM 864 CB THR A 58 -9.658 1.305 0.567 1.00 0.00 C ATOM 865 OG1 THR A 58 -10.141 0.960 -0.720 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.224 0.304 1.550 1.00 0.00 C ATOM 0 H THR A 58 -11.405 2.858 -0.655 1.00 0.00 H new ATOM 0 HA THR A 58 -10.077 2.867 1.988 1.00 0.00 H new ATOM 0 HB THR A 58 -8.570 1.255 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.352 0.003 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.938 -0.704 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.831 0.510 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.311 0.384 1.565 1.00 0.00 H new ATOM 874 N CYS A 59 -7.662 3.368 0.746 1.00 0.00 N ATOM 875 CA CYS A 59 -6.519 4.167 0.316 1.00 0.00 C ATOM 876 C CYS A 59 -5.243 3.741 1.033 1.00 0.00 C ATOM 877 O CYS A 59 -5.105 3.927 2.241 1.00 0.00 O ATOM 878 CB CYS A 59 -6.779 5.657 0.551 1.00 0.00 C ATOM 879 SG CYS A 59 -7.895 6.013 1.948 1.00 0.00 S ATOM 0 H CYS A 59 -7.420 2.565 1.326 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.384 3.997 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.826 6.157 0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.203 6.087 -0.356 1.00 0.00 H new ATOM 884 N CYS A 60 -4.312 3.169 0.274 1.00 0.00 N ATOM 885 CA CYS A 60 -3.041 2.716 0.827 1.00 0.00 C ATOM 886 C CYS A 60 -2.093 3.889 1.047 1.00 0.00 C ATOM 887 O CYS A 60 -1.668 4.542 0.095 1.00 0.00 O ATOM 888 CB CYS A 60 -2.385 1.691 -0.102 1.00 0.00 C ATOM 889 SG CYS A 60 -3.546 0.818 -1.201 1.00 0.00 S ATOM 0 H CYS A 60 -4.415 3.008 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.245 2.246 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.638 2.198 -0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.856 0.956 0.504 1.00 0.00 H new ATOM 894 N VAL A 61 -1.761 4.144 2.307 1.00 0.00 N ATOM 895 CA VAL A 61 -0.858 5.233 2.653 1.00 0.00 C ATOM 896 C VAL A 61 0.195 4.764 3.648 1.00 0.00 C ATOM 897 O VAL A 61 0.149 5.124 4.824 1.00 0.00 O ATOM 898 CB VAL A 61 -1.617 6.431 3.251 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.660 7.579 3.535 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.735 6.875 2.320 1.00 0.00 C ATOM 0 H VAL A 61 -2.104 3.611 3.106 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.374 5.551 1.730 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.066 6.120 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.213 8.418 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.100 7.252 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.181 7.891 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.260 7.723 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.313 7.169 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.434 6.052 2.173 1.00 0.00 H new ATOM 910 N ALA A 62 1.133 3.951 3.165 1.00 0.00 N ATOM 911 CA ALA A 62 2.202 3.411 4.001 1.00 0.00 C ATOM 912 C ALA A 62 2.085 3.888 5.442 1.00 0.00 C ATOM 913 O ALA A 62 2.436 5.023 5.763 1.00 0.00 O ATOM 914 CB ALA A 62 3.565 3.781 3.438 1.00 0.00 C ATOM 0 H ALA A 62 1.173 3.650 2.191 1.00 0.00 H new ATOM 0 HA ALA A 62 2.099 2.326 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.346 3.369 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.666 3.374 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.661 4.866 3.402 1.00 0.00 H new ATOM 920 N LYS A 63 1.605 3.007 6.310 1.00 0.00 N ATOM 921 CA LYS A 63 1.463 3.328 7.717 1.00 0.00 C ATOM 922 C LYS A 63 2.795 3.797 8.255 1.00 0.00 C ATOM 923 O LYS A 63 2.874 4.732 9.052 1.00 0.00 O ATOM 924 CB LYS A 63 0.999 2.100 8.491 1.00 0.00 C ATOM 925 CG LYS A 63 0.398 2.434 9.843 1.00 0.00 C ATOM 926 CD LYS A 63 0.177 1.187 10.680 1.00 0.00 C ATOM 927 CE LYS A 63 -1.297 0.966 10.972 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.580 0.981 12.433 1.00 0.00 N ATOM 0 H LYS A 63 1.308 2.064 6.060 1.00 0.00 H new ATOM 0 HA LYS A 63 0.720 4.117 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.261 1.562 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.845 1.428 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.058 3.118 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.551 2.951 9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.579 0.320 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.725 1.275 11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.885 1.741 10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.612 0.011 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.596 0.827 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.038 0.225 12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.303 1.901 12.831 1.00 0.00 H new ATOM 942 N SER A 64 3.843 3.143 7.786 1.00 0.00 N ATOM 943 CA SER A 64 5.193 3.483 8.183 1.00 0.00 C ATOM 944 C SER A 64 6.121 3.377 6.986 1.00 0.00 C ATOM 945 O SER A 64 6.281 2.308 6.405 1.00 0.00 O ATOM 946 CB SER A 64 5.675 2.581 9.321 1.00 0.00 C ATOM 947 OG SER A 64 5.108 2.976 10.559 1.00 0.00 O ATOM 0 H SER A 64 3.781 2.368 7.125 1.00 0.00 H new ATOM 0 HA SER A 64 5.200 4.510 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.407 1.546 9.108 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.762 2.621 9.386 1.00 0.00 H new ATOM 0 HG SER A 64 4.406 3.641 10.400 1.00 0.00 H new ATOM 953 N TYR A 65 6.703 4.503 6.607 1.00 0.00 N ATOM 954 CA TYR A 65 7.590 4.553 5.456 1.00 0.00 C ATOM 955 C TYR A 65 9.037 4.714 5.855 1.00 0.00 C ATOM 956 O TYR A 65 9.352 5.160 6.959 1.00 0.00 O ATOM 957 CB TYR A 65 7.214 5.728 4.567 1.00 0.00 C ATOM 958 CG TYR A 65 6.739 6.940 5.335 1.00 0.00 C ATOM 959 CD1 TYR A 65 7.650 7.824 5.898 1.00 0.00 C ATOM 960 CD2 TYR A 65 5.383 7.202 5.498 1.00 0.00 C ATOM 961 CE1 TYR A 65 7.225 8.935 6.601 1.00 0.00 C ATOM 962 CE2 TYR A 65 4.951 8.312 6.200 1.00 0.00 C ATOM 963 CZ TYR A 65 5.876 9.174 6.749 1.00 0.00 C ATOM 964 OH TYR A 65 5.451 10.280 7.449 1.00 0.00 O ATOM 0 H TYR A 65 6.577 5.397 7.081 1.00 0.00 H new ATOM 0 HA TYR A 65 7.477 3.606 4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.077 6.007 3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.430 5.415 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.708 7.640 5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.656 6.528 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.947 9.613 7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.894 8.503 6.318 1.00 0.00 H new ATOM 0 HH TYR A 65 4.471 10.304 7.460 1.00 0.00 H new ATOM 974 N ASN A 66 9.913 4.398 4.918 1.00 0.00 N ATOM 975 CA ASN A 66 11.340 4.562 5.137 1.00 0.00 C ATOM 976 C ASN A 66 11.911 5.323 3.967 1.00 0.00 C ATOM 977 O ASN A 66 13.076 5.189 3.601 1.00 0.00 O ATOM 978 CB ASN A 66 12.036 3.223 5.313 1.00 0.00 C ATOM 979 CG ASN A 66 12.697 3.081 6.669 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.345 3.777 7.622 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.663 2.176 6.760 1.00 0.00 N ATOM 0 H ASN A 66 9.663 4.028 4.001 1.00 0.00 H new ATOM 0 HA ASN A 66 11.505 5.119 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.310 2.421 5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.788 3.104 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.147 2.034 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.921 1.622 5.944 1.00 0.00 H new ATOM 988 N ARG A 67 11.030 6.121 3.406 1.00 0.00 N ATOM 989 CA ARG A 67 11.320 6.967 2.257 1.00 0.00 C ATOM 990 C ARG A 67 12.811 7.036 1.971 1.00 0.00 C ATOM 991 O ARG A 67 13.597 7.537 2.773 1.00 0.00 O ATOM 992 CB ARG A 67 10.763 8.365 2.496 1.00 0.00 C ATOM 993 CG ARG A 67 10.999 8.847 3.906 1.00 0.00 C ATOM 994 CD ARG A 67 10.870 10.357 4.007 1.00 0.00 C ATOM 995 NE ARG A 67 10.003 10.761 5.111 1.00 0.00 N ATOM 996 CZ ARG A 67 9.042 11.676 5.004 1.00 0.00 C ATOM 997 NH1 ARG A 67 8.817 12.284 3.846 1.00 0.00 N ATOM 998 NH2 ARG A 67 8.307 11.986 6.063 1.00 0.00 N ATOM 0 H ARG A 67 10.070 6.206 3.739 1.00 0.00 H new ATOM 0 HA ARG A 67 10.840 6.527 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.224 9.061 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.693 8.367 2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.283 8.374 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.993 8.543 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.858 10.797 4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.472 10.750 3.071 1.00 0.00 H new ATOM 0 HE ARG A 67 10.142 10.315 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.382 12.051 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.079 12.984 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.479 11.524 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.570 12.687 5.985 1.00 0.00 H new ATOM 1012 N VAL A 68 13.178 6.523 0.812 1.00 0.00 N ATOM 1013 CA VAL A 68 14.565 6.505 0.371 1.00 0.00 C ATOM 1014 C VAL A 68 14.725 7.269 -0.928 1.00 0.00 C ATOM 1015 O VAL A 68 15.331 6.778 -1.878 1.00 0.00 O ATOM 1016 CB VAL A 68 15.070 5.065 0.160 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.691 4.183 1.338 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.521 4.486 -1.139 1.00 0.00 C ATOM 0 H VAL A 68 12.525 6.106 0.148 1.00 0.00 H new ATOM 0 HA VAL A 68 15.155 6.980 1.155 1.00 0.00 H new ATOM 0 HB VAL A 68 16.157 5.095 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.058 3.171 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.137 4.582 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.606 4.163 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.890 3.469 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.432 4.475 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.848 5.100 -1.978 1.00 0.00 H new ATOM 1028 N THR A 69 14.163 8.466 -0.967 1.00 0.00 N ATOM 1029 CA THR A 69 14.223 9.298 -2.160 1.00 0.00 C ATOM 1030 C THR A 69 15.261 8.773 -3.142 1.00 0.00 C ATOM 1031 O THR A 69 16.449 8.699 -2.831 1.00 0.00 O ATOM 1032 CB THR A 69 14.543 10.746 -1.814 1.00 0.00 C ATOM 1033 OG1 THR A 69 13.416 11.394 -1.251 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.981 11.538 -3.026 1.00 0.00 C ATOM 0 H THR A 69 13.659 8.885 -0.185 1.00 0.00 H new ATOM 0 HA THR A 69 13.238 9.258 -2.625 1.00 0.00 H new ATOM 0 HB THR A 69 15.360 10.712 -1.094 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.646 12.322 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.198 12.564 -2.731 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.876 11.086 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.184 11.535 -3.770 1.00 0.00 H new ATOM 1042 N VAL A 70 14.794 8.410 -4.323 1.00 0.00 N ATOM 1043 CA VAL A 70 15.667 7.884 -5.365 1.00 0.00 C ATOM 1044 C VAL A 70 15.868 8.880 -6.481 1.00 0.00 C ATOM 1045 O VAL A 70 15.613 10.076 -6.337 1.00 0.00 O ATOM 1046 CB VAL A 70 15.106 6.604 -6.003 1.00 0.00 C ATOM 1047 CG1 VAL A 70 16.158 5.506 -6.031 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.851 6.140 -5.284 1.00 0.00 C ATOM 0 H VAL A 70 13.811 8.469 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 70 16.612 7.671 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 70 14.833 6.834 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.737 4.610 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.017 5.840 -6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.475 5.280 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.475 5.232 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.085 5.935 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.091 6.919 -5.339 1.00 0.00 H new ATOM 1058 N MET A 71 16.330 8.354 -7.600 1.00 0.00 N ATOM 1059 CA MET A 71 16.583 9.156 -8.779 1.00 0.00 C ATOM 1060 C MET A 71 15.596 10.311 -8.873 1.00 0.00 C ATOM 1061 O MET A 71 14.470 10.221 -8.385 1.00 0.00 O ATOM 1062 CB MET A 71 16.510 8.295 -10.041 1.00 0.00 C ATOM 1063 CG MET A 71 15.936 6.907 -9.803 1.00 0.00 C ATOM 1064 SD MET A 71 17.216 5.669 -9.521 1.00 0.00 S ATOM 1065 CE MET A 71 17.849 5.456 -11.181 1.00 0.00 C ATOM 0 H MET A 71 16.539 7.362 -7.716 1.00 0.00 H new ATOM 0 HA MET A 71 17.588 9.569 -8.695 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.900 8.808 -10.785 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.511 8.197 -10.462 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.268 6.936 -8.942 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.335 6.614 -10.664 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.450 4.548 -11.227 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.017 5.376 -11.880 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.466 6.314 -11.448 1.00 0.00 H new ATOM 1075 N GLY A 72 16.027 11.401 -9.497 1.00 0.00 N ATOM 1076 CA GLY A 72 15.168 12.560 -9.634 1.00 0.00 C ATOM 1077 C GLY A 72 14.508 12.940 -8.324 1.00 0.00 C ATOM 1078 O GLY A 72 13.500 13.647 -8.309 1.00 0.00 O ATOM 0 H GLY A 72 16.954 11.502 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.753 13.403 -10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.400 12.355 -10.380 1.00 0.00 H new ATOM 1082 N GLY A 73 15.079 12.463 -7.221 1.00 0.00 N ATOM 1083 CA GLY A 73 14.530 12.761 -5.912 1.00 0.00 C ATOM 1084 C GLY A 73 13.217 12.047 -5.663 1.00 0.00 C ATOM 1085 O GLY A 73 12.359 12.548 -4.935 1.00 0.00 O ATOM 0 H GLY A 73 15.913 11.875 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.249 12.473 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.379 13.837 -5.820 1.00 0.00 H new ATOM 1089 N PHE A 74 13.061 10.875 -6.270 1.00 0.00 N ATOM 1090 CA PHE A 74 11.844 10.086 -6.115 1.00 0.00 C ATOM 1091 C PHE A 74 11.502 9.894 -4.645 1.00 0.00 C ATOM 1092 O PHE A 74 12.153 10.459 -3.768 1.00 0.00 O ATOM 1093 CB PHE A 74 11.997 8.725 -6.799 1.00 0.00 C ATOM 1094 CG PHE A 74 11.826 8.790 -8.291 1.00 0.00 C ATOM 1095 CD1 PHE A 74 11.938 10.000 -8.958 1.00 0.00 C ATOM 1096 CD2 PHE A 74 11.549 7.647 -9.027 1.00 0.00 C ATOM 1097 CE1 PHE A 74 11.780 10.069 -10.329 1.00 0.00 C ATOM 1098 CE2 PHE A 74 11.390 7.711 -10.399 1.00 0.00 C ATOM 1099 CZ PHE A 74 11.504 8.924 -11.050 1.00 0.00 C ATOM 0 H PHE A 74 13.764 10.450 -6.875 1.00 0.00 H new ATOM 0 HA PHE A 74 11.028 10.631 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.982 8.319 -6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.263 8.033 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.151 10.899 -8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.457 6.697 -8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.872 11.018 -10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.177 6.814 -10.961 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.377 8.977 -12.121 1.00 0.00 H new ATOM 1109 N LYS A 75 10.474 9.099 -4.384 1.00 0.00 N ATOM 1110 CA LYS A 75 10.045 8.835 -3.016 1.00 0.00 C ATOM 1111 C LYS A 75 9.229 7.547 -2.930 1.00 0.00 C ATOM 1112 O LYS A 75 8.190 7.408 -3.577 1.00 0.00 O ATOM 1113 CB LYS A 75 9.233 10.013 -2.477 1.00 0.00 C ATOM 1114 CG LYS A 75 10.082 11.041 -1.746 1.00 0.00 C ATOM 1115 CD LYS A 75 9.263 11.838 -0.747 1.00 0.00 C ATOM 1116 CE LYS A 75 8.135 12.592 -1.429 1.00 0.00 C ATOM 1117 NZ LYS A 75 6.823 12.344 -0.770 1.00 0.00 N ATOM 0 H LYS A 75 9.922 8.626 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 75 10.938 8.710 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.717 10.500 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.466 9.638 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.898 10.537 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.535 11.720 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.850 11.166 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.910 12.543 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.352 13.660 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.078 12.292 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.080 12.876 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.603 11.328 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.869 12.654 0.222 1.00 0.00 H new ATOM 1131 N VAL A 76 9.716 6.611 -2.122 1.00 0.00 N ATOM 1132 CA VAL A 76 9.053 5.321 -1.929 1.00 0.00 C ATOM 1133 C VAL A 76 8.648 5.153 -0.509 1.00 0.00 C ATOM 1134 O VAL A 76 8.317 4.050 -0.072 1.00 0.00 O ATOM 1135 CB VAL A 76 10.009 4.158 -2.259 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.320 4.140 -3.741 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.278 4.358 -1.443 1.00 0.00 C ATOM 0 H VAL A 76 10.576 6.721 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 76 8.186 5.306 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 76 9.550 3.201 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.996 3.314 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.396 4.013 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.792 5.081 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.978 3.549 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.735 5.311 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.032 4.357 -0.381 1.00 0.00 H new ATOM 1147 N GLU A 77 8.722 6.239 0.217 1.00 0.00 N ATOM 1148 CA GLU A 77 8.416 6.198 1.636 1.00 0.00 C ATOM 1149 C GLU A 77 8.747 4.795 2.086 1.00 0.00 C ATOM 1150 O GLU A 77 7.998 4.162 2.823 1.00 0.00 O ATOM 1151 CB GLU A 77 6.942 6.521 1.890 1.00 0.00 C ATOM 1152 CG GLU A 77 6.179 6.924 0.640 1.00 0.00 C ATOM 1153 CD GLU A 77 6.137 8.426 0.443 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.873 9.138 1.158 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.368 8.890 -0.425 1.00 0.00 O ATOM 0 H GLU A 77 8.988 7.157 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 77 8.991 6.941 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.460 5.650 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.877 7.328 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.643 6.460 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.161 6.540 0.701 1.00 0.00 H new ATOM 1162 N ASN A 78 9.861 4.305 1.531 1.00 0.00 N ATOM 1163 CA ASN A 78 10.305 2.942 1.738 1.00 0.00 C ATOM 1164 C ASN A 78 9.333 2.257 2.655 1.00 0.00 C ATOM 1165 O ASN A 78 9.614 1.981 3.819 1.00 0.00 O ATOM 1166 CB ASN A 78 11.723 2.836 2.259 1.00 0.00 C ATOM 1167 CG ASN A 78 12.185 1.408 2.130 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.153 0.834 1.042 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.611 0.823 3.229 1.00 0.00 N ATOM 0 H ASN A 78 10.474 4.852 0.926 1.00 0.00 H new ATOM 0 HA ASN A 78 10.326 2.446 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.382 3.498 1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.767 3.154 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.620 1.337 4.110 1.00 0.00 H new ATOM 1174 N HIS A 79 8.154 2.061 2.107 1.00 0.00 N ATOM 1175 CA HIS A 79 7.046 1.490 2.824 1.00 0.00 C ATOM 1176 C HIS A 79 7.427 0.361 3.749 1.00 0.00 C ATOM 1177 O HIS A 79 7.912 -0.691 3.341 1.00 0.00 O ATOM 1178 CB HIS A 79 5.961 1.071 1.852 1.00 0.00 C ATOM 1179 CG HIS A 79 5.423 2.254 1.147 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.406 2.226 0.238 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.826 3.536 1.234 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.225 3.478 -0.206 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.063 4.316 0.373 1.00 0.00 N ATOM 0 H HIS A 79 7.940 2.298 1.138 1.00 0.00 H new ATOM 0 HA HIS A 79 6.663 2.272 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.364 0.360 1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.160 0.562 2.387 1.00 0.00 H new ATOM 0 HD1 HIS A 79 3.879 1.402 -0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.617 3.901 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.488 3.763 -0.942 1.00 0.00 H new ATOM 1191 N THR A 80 7.168 0.612 5.012 1.00 0.00 N ATOM 1192 CA THR A 80 7.431 -0.346 6.067 1.00 0.00 C ATOM 1193 C THR A 80 6.109 -0.890 6.602 1.00 0.00 C ATOM 1194 O THR A 80 6.065 -1.932 7.256 1.00 0.00 O ATOM 1195 CB THR A 80 8.238 0.326 7.175 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.379 0.873 8.158 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.118 1.442 6.653 1.00 0.00 C ATOM 0 H THR A 80 6.767 1.490 5.340 1.00 0.00 H new ATOM 0 HA THR A 80 8.013 -1.181 5.677 1.00 0.00 H new ATOM 0 HB THR A 80 8.869 -0.452 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.758 0.715 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.671 1.887 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.820 1.040 5.922 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.498 2.203 6.180 1.00 0.00 H new ATOM 1205 N ALA A 81 5.029 -0.169 6.292 1.00 0.00 N ATOM 1206 CA ALA A 81 3.691 -0.550 6.701 1.00 0.00 C ATOM 1207 C ALA A 81 2.679 0.212 5.854 1.00 0.00 C ATOM 1208 O ALA A 81 2.854 1.401 5.610 1.00 0.00 O ATOM 1209 CB ALA A 81 3.481 -0.257 8.178 1.00 0.00 C ATOM 0 H ALA A 81 5.066 0.694 5.750 1.00 0.00 H new ATOM 0 HA ALA A 81 3.556 -1.621 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.471 -0.549 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.205 -0.820 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.616 0.809 8.360 1.00 0.00 H new ATOM 1215 N CYS A 82 1.635 -0.469 5.396 1.00 0.00 N ATOM 1216 CA CYS A 82 0.616 0.173 4.569 1.00 0.00 C ATOM 1217 C CYS A 82 -0.772 -0.039 5.165 1.00 0.00 C ATOM 1218 O CYS A 82 -1.078 -1.115 5.678 1.00 0.00 O ATOM 1219 CB CYS A 82 0.663 -0.370 3.137 1.00 0.00 C ATOM 1220 SG CYS A 82 0.971 0.899 1.861 1.00 0.00 S ATOM 0 H CYS A 82 1.471 -1.459 5.581 1.00 0.00 H new ATOM 0 HA CYS A 82 0.824 1.243 4.544 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.443 -1.128 3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.282 -0.866 2.918 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.610 0.993 5.099 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.962 0.908 5.640 1.00 0.00 C ATOM 1227 C HIS A 83 -3.985 1.530 4.691 1.00 0.00 C ATOM 1228 O HIS A 83 -3.977 2.738 4.454 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.033 1.592 7.008 1.00 0.00 C ATOM 1230 CG HIS A 83 -2.588 3.021 6.996 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -1.544 3.621 6.374 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -3.241 4.017 7.690 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -1.587 4.954 6.702 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -2.620 5.167 7.495 1.00 0.00 N flip ATOM 0 H HIS A 83 -1.377 1.893 4.678 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.206 -0.148 5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.059 1.544 7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.416 1.036 7.714 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -0.855 3.167 5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.123 3.879 8.298 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.889 5.706 6.365 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.872 0.692 4.160 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.914 1.146 3.243 1.00 0.00 C ATOM 1245 C CYS A 84 -7.179 1.512 4.012 1.00 0.00 C ATOM 1246 O CYS A 84 -7.618 0.765 4.886 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.231 0.050 2.224 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.171 0.607 0.490 1.00 0.00 S ATOM 0 H CYS A 84 -4.890 -0.310 4.350 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.551 2.030 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.524 -0.769 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.224 -0.349 2.432 1.00 0.00 H new ATOM 1253 N SER A 85 -7.758 2.666 3.684 1.00 0.00 N ATOM 1254 CA SER A 85 -8.974 3.137 4.342 1.00 0.00 C ATOM 1255 C SER A 85 -8.647 4.145 5.436 1.00 0.00 C ATOM 1256 O SER A 85 -9.475 4.427 6.303 1.00 0.00 O ATOM 1257 CB SER A 85 -9.761 1.963 4.931 1.00 0.00 C ATOM 1258 OG SER A 85 -11.113 2.319 5.157 1.00 0.00 O ATOM 0 H SER A 85 -7.402 3.294 2.963 1.00 0.00 H new ATOM 0 HA SER A 85 -9.589 3.630 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.714 1.112 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.303 1.648 5.868 1.00 0.00 H new ATOM 0 HG SER A 85 -11.151 3.173 5.637 1.00 0.00 H new ATOM 1264 N THR A 86 -7.437 4.690 5.389 1.00 0.00 N ATOM 1265 CA THR A 86 -7.003 5.674 6.372 1.00 0.00 C ATOM 1266 C THR A 86 -7.207 7.086 5.837 1.00 0.00 C ATOM 1267 O THR A 86 -6.426 7.992 6.127 1.00 0.00 O ATOM 1268 CB THR A 86 -5.533 5.457 6.728 1.00 0.00 C ATOM 1269 OG1 THR A 86 -5.105 6.409 7.685 1.00 0.00 O ATOM 1270 CG2 THR A 86 -4.608 5.559 5.535 1.00 0.00 C ATOM 0 H THR A 86 -6.739 4.467 4.680 1.00 0.00 H new ATOM 0 HA THR A 86 -7.605 5.550 7.272 1.00 0.00 H new ATOM 0 HB THR A 86 -5.477 4.444 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.138 6.325 7.820 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.580 5.395 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.882 4.805 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.695 6.550 5.091 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.262 7.262 5.048 1.00 0.00 N ATOM 1279 CA CYS A 87 -8.575 8.559 4.463 1.00 0.00 C ATOM 1280 C CYS A 87 -9.366 9.427 5.437 1.00 0.00 C ATOM 1281 O CYS A 87 -10.490 9.835 5.147 1.00 0.00 O ATOM 1282 CB CYS A 87 -9.369 8.373 3.169 1.00 0.00 C ATOM 1283 SG CYS A 87 -8.340 7.982 1.716 1.00 0.00 S ATOM 0 H CYS A 87 -8.916 6.520 4.799 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.635 9.065 4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.095 7.573 3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.933 9.284 2.967 1.00 0.00 H new ATOM 1288 N TYR A 88 -8.769 9.709 6.590 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.417 10.534 7.604 1.00 0.00 C ATOM 1290 C TYR A 88 -8.538 11.724 7.977 1.00 0.00 C ATOM 1291 O TYR A 88 -7.403 11.554 8.420 1.00 0.00 O ATOM 1292 CB TYR A 88 -9.724 9.704 8.851 1.00 0.00 C ATOM 1293 CG TYR A 88 -11.017 8.923 8.767 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -11.931 9.152 7.744 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -11.326 7.957 9.717 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -13.112 8.440 7.672 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -12.504 7.241 9.649 1.00 0.00 C ATOM 1298 CZ TYR A 88 -13.394 7.486 8.626 1.00 0.00 C ATOM 1299 OH TYR A 88 -14.569 6.774 8.555 1.00 0.00 O ATOM 0 H TYR A 88 -7.838 9.379 6.846 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.352 10.909 7.188 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.902 9.009 9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.768 10.367 9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.714 9.898 6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.633 7.763 10.522 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.812 8.630 6.872 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.727 6.492 10.394 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.614 6.141 9.302 1.00 0.00 H new ATOM 1309 N TYR A 89 -9.074 12.928 7.797 1.00 0.00 N ATOM 1310 CA TYR A 89 -8.342 14.149 8.117 1.00 0.00 C ATOM 1311 C TYR A 89 -7.530 13.981 9.398 1.00 0.00 C ATOM 1312 O TYR A 89 -7.797 13.087 10.201 1.00 0.00 O ATOM 1313 CB TYR A 89 -9.311 15.322 8.268 1.00 0.00 C ATOM 1314 CG TYR A 89 -9.902 15.795 6.957 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -9.509 15.230 5.750 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -10.854 16.806 6.930 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -10.048 15.660 4.553 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -11.398 17.241 5.737 1.00 0.00 C ATOM 1319 CZ TYR A 89 -10.992 16.666 4.551 1.00 0.00 C ATOM 1320 OH TYR A 89 -11.534 17.097 3.362 1.00 0.00 O ATOM 0 H TYR A 89 -10.013 13.084 7.431 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.654 14.354 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.120 15.029 8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.790 16.154 8.743 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.770 14.442 5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.174 17.259 7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.732 15.211 3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.138 18.028 5.733 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.184 17.809 3.538 1.00 0.00 H new ATOM 1330 N HIS A 90 -6.535 14.845 9.581 1.00 0.00 N ATOM 1331 CA HIS A 90 -5.683 14.789 10.763 1.00 0.00 C ATOM 1332 C HIS A 90 -6.128 15.807 11.811 1.00 0.00 C ATOM 1333 O HIS A 90 -5.392 16.739 12.136 1.00 0.00 O ATOM 1334 CB HIS A 90 -4.225 15.041 10.377 1.00 0.00 C ATOM 1335 CG HIS A 90 -3.279 15.003 11.540 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -3.463 14.187 12.635 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -2.136 15.691 11.773 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -2.475 14.374 13.493 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -1.657 15.281 12.993 1.00 0.00 N ATOM 0 H HIS A 90 -6.300 15.591 8.926 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.772 13.792 11.195 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.918 14.294 9.645 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.150 16.013 9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.685 16.425 11.121 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.357 13.871 14.441 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.806 15.622 13.440 1.00 0.00 H new ATOM 1348 N LYS A 91 -7.333 15.618 12.340 1.00 0.00 N ATOM 1349 CA LYS A 91 -7.870 16.516 13.356 1.00 0.00 C ATOM 1350 C LYS A 91 -7.946 15.816 14.709 1.00 0.00 C ATOM 1351 O LYS A 91 -8.888 15.072 14.984 1.00 0.00 O ATOM 1352 CB LYS A 91 -9.258 17.014 12.948 1.00 0.00 C ATOM 1353 CG LYS A 91 -9.444 18.513 13.124 1.00 0.00 C ATOM 1354 CD LYS A 91 -8.366 19.300 12.395 1.00 0.00 C ATOM 1355 CE LYS A 91 -8.957 20.469 11.621 1.00 0.00 C ATOM 1356 NZ LYS A 91 -8.665 21.773 12.277 1.00 0.00 N ATOM 0 H LYS A 91 -7.955 14.852 12.082 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.199 17.370 13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.435 16.755 11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.010 16.491 13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.425 18.805 12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.422 18.761 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.635 19.670 13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.833 18.641 11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.555 20.474 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.036 20.339 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.084 22.544 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.071 21.778 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.636 21.909 12.336 1.00 0.00 H new ATOM 1370 N SER A 92 -6.944 16.056 15.550 1.00 0.00 N ATOM 1371 CA SER A 92 -6.893 15.446 16.875 1.00 0.00 C ATOM 1372 C SER A 92 -7.698 16.259 17.883 1.00 0.00 C ATOM 1373 O SER A 92 -7.582 15.979 19.095 1.00 0.00 O ATOM 1374 CB SER A 92 -5.441 15.326 17.345 1.00 0.00 C ATOM 1375 OG SER A 92 -5.073 16.433 18.149 1.00 0.00 O ATOM 1376 OXT SER A 92 -8.437 17.168 17.452 1.00 0.00 O ATOM 0 H SER A 92 -6.157 16.668 15.338 1.00 0.00 H new ATOM 0 HA SER A 92 -7.333 14.451 16.806 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.314 14.403 17.911 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.780 15.264 16.481 1.00 0.00 H new ATOM 0 HG SER A 92 -4.142 16.332 18.438 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.942 -0.579 3.205 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.423 -0.773 3.515 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.760 -2.249 3.591 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.833 -2.955 4.558 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.379 -2.669 4.209 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.410 -3.250 5.220 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.097 0.797 2.777 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.936 1.359 1.640 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.229 -0.162 2.475 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.100 -2.399 4.034 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.064 -4.374 4.477 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.127 -1.259 4.169 1.00 0.00 O HETATM 1395 O6 NAG A 178 11.703 -2.800 6.535 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.239 1.236 3.918 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.061 -3.190 7.165 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.154 -3.145 4.667 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.129 -0.470 1.508 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.529 0.560 1.196 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.281 1.788 0.882 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.600 2.132 2.026 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.391 -2.966 4.955 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.456 -4.339 5.187 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.222 -3.132 3.235 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.032 -2.593 5.567 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.640 -2.690 2.602 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.636 -0.303 4.475 1.00 0.00 H new HETATM 1410 C1 NAG A 179 14.577 -4.985 5.610 1.00 0.00 C HETATM 1411 C2 NAG A 179 14.496 -6.496 5.449 1.00 0.00 C HETATM 1412 C3 NAG A 179 15.136 -7.185 6.636 1.00 0.00 C HETATM 1413 C4 NAG A 179 16.548 -6.677 6.843 1.00 0.00 C HETATM 1414 C5 NAG A 179 16.576 -5.157 6.927 1.00 0.00 C HETATM 1415 C6 NAG A 179 17.989 -4.611 6.971 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.342 -6.433 4.361 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.854 -6.731 4.423 1.00 0.00 C HETATM 1418 N2 NAG A 179 13.105 -6.898 5.350 1.00 0.00 N HETATM 1419 O3 NAG A 179 15.172 -8.584 6.397 1.00 0.00 O HETATM 1420 O4 NAG A 179 17.060 -7.212 8.074 1.00 0.00 O HETATM 1421 O5 NAG A 179 15.934 -4.553 5.780 1.00 0.00 O HETATM 1422 O6 NAG A 179 18.691 -5.092 8.107 1.00 0.00 O HETATM 1423 O7 NAG A 179 12.794 -5.795 3.412 1.00 0.00 O HETATM 0 HO6 NAG A 179 19.600 -4.725 8.109 1.00 0.00 H new HETATM 0 HO3 NAG A 179 16.068 -8.927 6.595 1.00 0.00 H new HETATM 0 HN2 NAG A 179 12.710 -7.538 6.039 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.699 -7.810 4.423 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.435 -6.304 5.334 1.00 0.00 H new HETATM 0 H81 NAG A 179 10.359 -6.293 3.556 1.00 0.00 H new HETATM 0 H62 NAG A 179 18.521 -4.898 6.064 1.00 0.00 H new HETATM 0 H61 NAG A 179 17.960 -3.522 6.993 1.00 0.00 H new HETATM 0 H5 NAG A 179 16.048 -4.909 7.848 1.00 0.00 H new HETATM 0 H4 NAG A 179 17.157 -6.994 5.996 1.00 0.00 H new HETATM 0 H3 NAG A 179 14.550 -6.971 7.530 1.00 0.00 H new HETATM 0 H2 NAG A 179 15.029 -6.784 4.543 1.00 0.00 H new HETATM 1437 C1 BMA A 180 18.343 -7.721 8.033 1.00 0.00 C HETATM 1438 C2 BMA A 180 18.875 -7.864 9.449 1.00 0.00 C HETATM 1439 C3 BMA A 180 20.241 -8.533 9.439 1.00 0.00 C HETATM 1440 C4 BMA A 180 20.189 -9.830 8.653 1.00 0.00 C HETATM 1441 C5 BMA A 180 19.597 -9.597 7.270 1.00 0.00 C HETATM 1442 C6 BMA A 180 19.413 -10.886 6.501 1.00 0.00 C HETATM 1443 O2 BMA A 180 17.973 -8.656 10.206 1.00 0.00 O HETATM 1444 O3 BMA A 180 20.651 -8.820 10.790 1.00 0.00 O HETATM 1445 O4 BMA A 180 21.506 -10.342 8.516 1.00 0.00 O HETATM 1446 O5 BMA A 180 18.300 -8.982 7.358 1.00 0.00 O HETATM 1447 O6 BMA A 180 18.930 -10.606 5.175 1.00 0.00 O HETATM 0 HO4 BMA A 180 21.465 -11.299 8.309 1.00 0.00 H new HETATM 0 HO2 BMA A 180 18.471 -9.167 10.878 1.00 0.00 H new HETATM 0 H62 BMA A 180 20.359 -11.424 6.446 1.00 0.00 H new HETATM 0 H61 BMA A 180 18.709 -11.533 7.024 1.00 0.00 H new HETATM 0 H5 BMA A 180 20.307 -8.951 6.754 1.00 0.00 H new HETATM 0 H4 BMA A 180 19.559 -10.541 9.188 1.00 0.00 H new HETATM 0 H3 BMA A 180 20.955 -7.856 8.969 1.00 0.00 H new HETATM 0 H2 BMA A 180 18.971 -6.873 9.893 1.00 0.00 H new HETATM 1457 C1 MAN A 181 21.678 -8.009 11.279 1.00 0.00 C HETATM 1458 C2 MAN A 181 22.152 -8.563 12.612 1.00 0.00 C HETATM 1459 C3 MAN A 181 21.079 -8.405 13.676 1.00 0.00 C HETATM 1460 C4 MAN A 181 20.622 -6.960 13.751 1.00 0.00 C HETATM 1461 C5 MAN A 181 20.193 -6.464 12.377 1.00 0.00 C HETATM 1462 C6 MAN A 181 19.866 -4.984 12.377 1.00 0.00 C HETATM 1463 O2 MAN A 181 23.321 -7.830 13.016 1.00 0.00 O HETATM 1464 O3 MAN A 181 21.609 -8.794 14.936 1.00 0.00 O HETATM 1465 O4 MAN A 181 19.523 -6.864 14.647 1.00 0.00 O HETATM 1466 O5 MAN A 181 21.245 -6.656 11.410 1.00 0.00 O HETATM 1467 O6 MAN A 181 20.981 -4.209 12.791 1.00 0.00 O HETATM 0 HO6 MAN A 181 21.810 -4.674 12.552 1.00 0.00 H new HETATM 0 HO4 MAN A 181 19.427 -5.937 14.949 1.00 0.00 H new HETATM 0 HO3 MAN A 181 22.417 -9.332 14.799 1.00 0.00 H new HETATM 0 H62 MAN A 181 19.559 -4.677 11.377 1.00 0.00 H new HETATM 0 H61 MAN A 181 19.023 -4.796 13.042 1.00 0.00 H new HETATM 0 H5 MAN A 181 19.305 -7.041 12.118 1.00 0.00 H new HETATM 0 H4 MAN A 181 21.450 -6.346 14.104 1.00 0.00 H new HETATM 0 H3 MAN A 181 20.227 -9.034 13.418 1.00 0.00 H new HETATM 0 H2 MAN A 181 22.374 -9.624 12.499 1.00 0.00 H new HETATM 1478 C1 MAN A 182 19.481 -11.494 4.251 1.00 0.00 C HETATM 1479 C2 MAN A 182 18.983 -11.136 2.856 1.00 0.00 C HETATM 1480 C3 MAN A 182 17.497 -11.432 2.713 1.00 0.00 C HETATM 1481 C4 MAN A 182 17.202 -12.864 3.125 1.00 0.00 C HETATM 1482 C5 MAN A 182 17.746 -13.135 4.520 1.00 0.00 C HETATM 1483 C6 MAN A 182 17.580 -14.581 4.938 1.00 0.00 C HETATM 1484 O2 MAN A 182 19.704 -11.931 1.903 1.00 0.00 O HETATM 1485 O3 MAN A 182 17.114 -11.249 1.356 1.00 0.00 O HETATM 1486 O4 MAN A 182 15.798 -13.076 3.117 1.00 0.00 O HETATM 1487 O5 MAN A 182 19.152 -12.841 4.584 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.261 -15.455 4.050 1.00 0.00 O HETATM 0 HO6 MAN A 182 19.082 -15.024 3.732 1.00 0.00 H new HETATM 0 HO4 MAN A 182 15.613 -14.037 3.062 1.00 0.00 H new HETATM 0 HO3 MAN A 182 17.887 -11.403 0.774 1.00 0.00 H new HETATM 0 H62 MAN A 182 17.963 -14.716 5.950 1.00 0.00 H new HETATM 0 H61 MAN A 182 16.520 -14.836 4.962 1.00 0.00 H new HETATM 0 H5 MAN A 182 17.173 -12.493 5.189 1.00 0.00 H new HETATM 0 H4 MAN A 182 17.683 -13.542 2.420 1.00 0.00 H new HETATM 0 H3 MAN A 182 16.936 -10.755 3.357 1.00 0.00 H new HETATM 0 H2 MAN A 182 19.142 -10.071 2.685 1.00 0.00 H new HETATM 1499 C1 NAG A 183 20.715 -11.301 1.201 1.00 0.00 C HETATM 1500 C2 NAG A 183 21.451 -12.347 0.364 1.00 0.00 C HETATM 1501 C3 NAG A 183 22.521 -11.686 -0.484 1.00 0.00 C HETATM 1502 C4 NAG A 183 21.919 -10.557 -1.304 1.00 0.00 C HETATM 1503 C5 NAG A 183 21.116 -9.618 -0.415 1.00 0.00 C HETATM 1504 C6 NAG A 183 20.372 -8.561 -1.207 1.00 0.00 C HETATM 1505 C7 NAG A 183 21.626 -14.568 1.281 1.00 0.00 C HETATM 1506 C8 NAG A 183 22.133 -15.459 2.403 1.00 0.00 C HETATM 1507 N2 NAG A 183 22.067 -13.314 1.252 1.00 0.00 N HETATM 1508 O3 NAG A 183 23.082 -12.658 -1.354 1.00 0.00 O HETATM 1509 O4 NAG A 183 22.979 -9.802 -1.933 1.00 0.00 O HETATM 1510 O5 NAG A 183 20.126 -10.336 0.343 1.00 0.00 O HETATM 1511 O6 NAG A 183 19.465 -9.149 -2.128 1.00 0.00 O HETATM 1512 O7 NAG A 183 20.840 -15.020 0.447 1.00 0.00 O HETATM 0 HO6 NAG A 183 19.158 -10.012 -1.779 1.00 0.00 H new HETATM 0 HO3 NAG A 183 24.043 -12.739 -1.178 1.00 0.00 H new HETATM 0 HN2 NAG A 183 22.840 -13.032 1.855 1.00 0.00 H new HETATM 0 H83 NAG A 183 23.219 -15.535 2.345 1.00 0.00 H new HETATM 0 H82 NAG A 183 21.850 -15.030 3.364 1.00 0.00 H new HETATM 0 H81 NAG A 183 21.694 -16.452 2.306 1.00 0.00 H new HETATM 0 H62 NAG A 183 19.828 -7.908 -0.524 1.00 0.00 H new HETATM 0 H61 NAG A 183 21.086 -7.937 -1.745 1.00 0.00 H new HETATM 0 H5 NAG A 183 21.850 -9.146 0.238 1.00 0.00 H new HETATM 0 H4 NAG A 183 21.261 -10.990 -2.057 1.00 0.00 H new HETATM 0 H3 NAG A 183 23.294 -11.273 0.165 1.00 0.00 H new HETATM 0 H2 NAG A 183 20.739 -12.844 -0.295 1.00 0.00 H new HETATM 1526 C1 NAG A 184 24.446 -8.575 13.313 1.00 0.00 C HETATM 1527 C2 NAG A 184 25.594 -7.623 13.658 1.00 0.00 C HETATM 1528 C3 NAG A 184 26.809 -8.401 14.121 1.00 0.00 C HETATM 1529 C4 NAG A 184 26.435 -9.328 15.257 1.00 0.00 C HETATM 1530 C5 NAG A 184 25.261 -10.210 14.854 1.00 0.00 C HETATM 1531 C6 NAG A 184 24.771 -11.074 15.998 1.00 0.00 C HETATM 1532 C7 NAG A 184 25.824 -5.533 12.485 1.00 0.00 C HETATM 1533 C8 NAG A 184 26.164 -4.800 11.198 1.00 0.00 C HETATM 1534 N2 NAG A 184 25.943 -6.854 12.481 1.00 0.00 N HETATM 1535 O3 NAG A 184 27.806 -7.492 14.566 1.00 0.00 O HETATM 1536 O4 NAG A 184 27.567 -10.157 15.583 1.00 0.00 O HETATM 1537 O5 NAG A 184 24.137 -9.412 14.428 1.00 0.00 O HETATM 1538 O6 NAG A 184 23.653 -11.859 15.611 1.00 0.00 O HETATM 1539 O7 NAG A 184 25.458 -4.898 13.475 1.00 0.00 O HETATM 0 HO6 NAG A 184 23.106 -11.357 14.971 1.00 0.00 H new HETATM 0 HO3 NAG A 184 28.238 -7.848 15.370 1.00 0.00 H new HETATM 0 HN2 NAG A 184 26.282 -7.331 11.645 1.00 0.00 H new HETATM 0 H83 NAG A 184 27.202 -4.997 10.930 1.00 0.00 H new HETATM 0 H82 NAG A 184 25.511 -5.148 10.398 1.00 0.00 H new HETATM 0 H81 NAG A 184 26.023 -3.729 11.341 1.00 0.00 H new HETATM 0 H62 NAG A 184 25.577 -11.726 16.335 1.00 0.00 H new HETATM 0 H61 NAG A 184 24.499 -10.442 16.843 1.00 0.00 H new HETATM 0 H5 NAG A 184 25.632 -10.838 14.044 1.00 0.00 H new HETATM 0 H4 NAG A 184 26.147 -8.733 16.124 1.00 0.00 H new HETATM 0 H3 NAG A 184 27.190 -8.994 13.289 1.00 0.00 H new HETATM 0 H2 NAG A 184 25.273 -6.960 14.461 1.00 0.00 H new HETATM 1553 C1 GAL A 185 28.455 -10.417 14.551 1.00 0.00 C HETATM 1554 C2 GAL A 185 29.648 -11.197 15.092 1.00 0.00 C HETATM 1555 C3 GAL A 185 30.567 -11.617 13.960 1.00 0.00 C HETATM 1556 C4 GAL A 185 29.781 -12.340 12.880 1.00 0.00 C HETATM 1557 C5 GAL A 185 28.596 -11.502 12.429 1.00 0.00 C HETATM 1558 C6 GAL A 185 27.721 -12.236 11.430 1.00 0.00 C HETATM 1559 O2 GAL A 185 30.372 -10.370 15.993 1.00 0.00 O HETATM 1560 O3 GAL A 185 31.569 -12.486 14.469 1.00 0.00 O HETATM 1561 O4 GAL A 185 29.305 -13.572 13.400 1.00 0.00 O HETATM 1562 O5 GAL A 185 27.753 -11.159 13.545 1.00 0.00 O HETATM 1563 O6 GAL A 185 28.450 -12.577 10.259 1.00 0.00 O HETATM 0 HO6 GAL A 185 27.862 -13.050 9.634 1.00 0.00 H new HETATM 0 HO4 GAL A 185 28.414 -13.441 13.787 1.00 0.00 H new HETATM 0 HO3 GAL A 185 31.244 -13.410 14.445 1.00 0.00 H new HETATM 0 HO2 GAL A 185 29.757 -9.741 16.426 1.00 0.00 H new HETATM 0 H62 GAL A 185 27.321 -13.140 11.889 1.00 0.00 H new HETATM 0 H61 GAL A 185 26.869 -11.612 11.162 1.00 0.00 H new HETATM 0 H5 GAL A 185 29.023 -10.612 11.967 1.00 0.00 H new HETATM 0 H4 GAL A 185 30.435 -12.515 12.026 1.00 0.00 H new HETATM 0 H3 GAL A 185 31.025 -10.727 13.528 1.00 0.00 H new HETATM 0 H2 GAL A 185 29.285 -12.089 15.602 1.00 0.00 H new HETATM 1575 C1 GAL A 186 24.031 -10.521 -2.479 1.00 0.00 C HETATM 1576 C2 GAL A 186 23.588 -11.185 -3.779 1.00 0.00 C HETATM 1577 C3 GAL A 186 24.766 -11.857 -4.463 1.00 0.00 C HETATM 1578 C4 GAL A 186 25.917 -10.880 -4.617 1.00 0.00 C HETATM 1579 C5 GAL A 186 26.261 -10.248 -3.277 1.00 0.00 C HETATM 1580 C6 GAL A 186 27.342 -9.193 -3.396 1.00 0.00 C HETATM 1581 O2 GAL A 186 22.599 -12.162 -3.494 1.00 0.00 O HETATM 1582 O3 GAL A 186 24.364 -12.312 -5.747 1.00 0.00 O HETATM 1583 O4 GAL A 186 25.539 -9.858 -5.528 1.00 0.00 O HETATM 1584 O5 GAL A 186 25.109 -9.603 -2.707 1.00 0.00 O HETATM 1585 O6 GAL A 186 26.955 -8.156 -4.287 1.00 0.00 O HETATM 0 HO6 GAL A 186 27.671 -7.489 -4.343 1.00 0.00 H new HETATM 0 HO4 GAL A 186 26.160 -9.104 -5.450 1.00 0.00 H new HETATM 0 HO3 GAL A 186 24.665 -11.676 -6.429 1.00 0.00 H new HETATM 0 HO2 GAL A 186 22.730 -12.505 -2.585 1.00 0.00 H new HETATM 0 H62 GAL A 186 27.552 -8.771 -2.413 1.00 0.00 H new HETATM 0 H61 GAL A 186 28.265 -9.653 -3.749 1.00 0.00 H new HETATM 0 H5 GAL A 186 26.612 -11.065 -2.646 1.00 0.00 H new HETATM 0 H4 GAL A 186 26.789 -11.417 -4.990 1.00 0.00 H new HETATM 0 H3 GAL A 186 25.096 -12.698 -3.853 1.00 0.00 H new HETATM 0 H2 GAL A 186 23.182 -10.420 -4.441 1.00 0.00 H new