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 179:sc= 1.1 USER MOD Set 1.2: A 186 GAL O6 : rot 57:sc= 1.12 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= -0.255! USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 57 SER OG : rot 180:sc= -0.971! USER MOD Set 3.2: A 58 THR OG1 : rot 42:sc= -0.255! USER MOD Set 4.1: A 50 GLN : amide:sc= -1 K(o=-0.9,f=-0.077) USER MOD Set 4.2: A 54 THR OG1 : rot 126:sc= 0.0986 USER MOD Set 5.1: A 44 LYS NZ :NH3+ -171:sc= 0.258 (180deg=0) USER MOD Set 5.2: A 88 TYR OH : rot 30:sc= 0.244 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 29:sc= -0.0961! USER MOD Single : A 13 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.3!) USER MOD Single : A 15 ASN : amide:sc= -18.4! C(o=-18!,f=-12!) USER MOD Single : A 19 SER OG : rot 53:sc= 0.177 USER MOD Single : A 20 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.85! C(o=-1.8!,f=0.031!) USER MOD Single : A 29 MET CE :methyl 166:sc= -0.0106 (180deg=-0.353) USER MOD Single : A 34 SER OG : rot 180:sc=-0.00515 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -83:sc= 0.14 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0387 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.99! C(o=-4!,f=-8.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -109:sc= -3.41! (180deg=-7.13!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -21.6! C(o=-22!,f=-25!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -4.2! USER MOD Single : A 83 HIS : no HD1:sc= -6.07 K(o=-6.1,f=-2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.18) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 70:sc= 0.751 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot -33:sc= 0.45 USER MOD Single : A 179 NAG O3 : rot 138:sc= 0.0812 USER MOD Single : A 179 NAG O6 : rot -28:sc= 0.0225 USER MOD Single : A 180 BMA O2 : rot 151:sc= 0.086 USER MOD Single : A 180 BMA O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O3 : rot 32:sc= 0.0801 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 37:sc= 0.00589 USER MOD Single : A 182 MAN O3 : rot 26:sc= 0.0781 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0 USER MOD Single : A 183 NAG O6 : rot -37:sc= 0.048 USER MOD Single : A 184 NAG O3 : rot -170:sc= 0 USER MOD Single : A 184 NAG O6 : rot 180:sc= -1.95! USER MOD Single : A 185 GAL O2 : rot -60:sc= -3.8! USER MOD Single : A 185 GAL O3 : rot 100:sc= 0.0682 USER MOD Single : A 185 GAL O4 : rot 125:sc= 1.28 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0.858 USER MOD Single : A 186 GAL O2 : rot 180:sc= -0.612 USER MOD Single : A 186 GAL O3 : rot 98:sc= 0.0818 USER MOD Single : A 186 GAL O4 : rot 129:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.539 -21.404 -18.706 1.00 0.00 N ATOM 2 CA ALA A 1 -6.236 -20.270 -19.618 1.00 0.00 C ATOM 3 C ALA A 1 -5.618 -19.103 -18.853 1.00 0.00 C ATOM 4 O ALA A 1 -6.198 -18.603 -17.891 1.00 0.00 O ATOM 5 CB ALA A 1 -7.501 -19.820 -20.334 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.958 -22.185 -19.250 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.661 -21.730 -18.254 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.210 -21.092 -17.975 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.512 -20.612 -20.358 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.267 -18.989 -20.999 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.904 -20.649 -20.917 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.240 -19.500 -19.600 1.00 0.00 H new ATOM 13 N PRO A 2 -4.426 -18.654 -19.277 1.00 0.00 N ATOM 14 CA PRO A 2 -3.722 -17.544 -18.640 1.00 0.00 C ATOM 15 C PRO A 2 -4.271 -16.190 -19.078 1.00 0.00 C ATOM 16 O PRO A 2 -4.889 -16.075 -20.136 1.00 0.00 O ATOM 17 CB PRO A 2 -2.268 -17.704 -19.110 1.00 0.00 C ATOM 18 CG PRO A 2 -2.244 -18.879 -20.041 1.00 0.00 C ATOM 19 CD PRO A 2 -3.669 -19.188 -20.409 1.00 0.00 C ATOM 0 HA PRO A 2 -3.832 -17.569 -17.556 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.923 -16.802 -19.616 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.603 -17.868 -18.262 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.658 -18.652 -20.931 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.776 -19.739 -19.562 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.956 -18.712 -21.347 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.830 -20.259 -20.533 1.00 0.00 H new ATOM 27 N ASP A 3 -4.041 -15.167 -18.261 1.00 0.00 N ATOM 28 CA ASP A 3 -4.516 -13.825 -18.573 1.00 0.00 C ATOM 29 C ASP A 3 -3.840 -12.781 -17.690 1.00 0.00 C ATOM 30 O ASP A 3 -2.788 -12.244 -18.039 1.00 0.00 O ATOM 31 CB ASP A 3 -6.034 -13.748 -18.402 1.00 0.00 C ATOM 32 CG ASP A 3 -6.557 -14.782 -17.422 1.00 0.00 C ATOM 33 OD1 ASP A 3 -6.451 -15.990 -17.722 1.00 0.00 O ATOM 34 OD2 ASP A 3 -7.070 -14.385 -16.355 1.00 0.00 O ATOM 0 H ASP A 3 -3.530 -15.242 -17.381 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.260 -13.612 -19.611 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.308 -12.751 -18.056 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.514 -13.893 -19.370 1.00 0.00 H new ATOM 39 N VAL A 4 -4.456 -12.492 -16.549 1.00 0.00 N ATOM 40 CA VAL A 4 -3.921 -11.508 -15.617 1.00 0.00 C ATOM 41 C VAL A 4 -3.626 -12.139 -14.259 1.00 0.00 C ATOM 42 O VAL A 4 -3.631 -13.361 -14.119 1.00 0.00 O ATOM 43 CB VAL A 4 -4.898 -10.333 -15.433 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.119 -9.614 -16.755 1.00 0.00 C ATOM 45 CG2 VAL A 4 -6.219 -10.823 -14.857 1.00 0.00 C ATOM 0 H VAL A 4 -5.328 -12.927 -16.247 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.990 -11.133 -16.043 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.461 -9.626 -14.728 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.812 -8.786 -16.607 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.168 -9.230 -17.124 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.535 -10.310 -17.483 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.898 -9.979 -14.734 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.664 -11.550 -15.536 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.042 -11.291 -13.889 1.00 0.00 H new ATOM 55 N GLN A 5 -3.361 -11.299 -13.260 1.00 0.00 N ATOM 56 CA GLN A 5 -3.055 -11.784 -11.916 1.00 0.00 C ATOM 57 C GLN A 5 -4.075 -11.277 -10.899 1.00 0.00 C ATOM 58 O GLN A 5 -3.791 -11.216 -9.702 1.00 0.00 O ATOM 59 CB GLN A 5 -1.649 -11.345 -11.501 1.00 0.00 C ATOM 60 CG GLN A 5 -0.603 -11.558 -12.582 1.00 0.00 C ATOM 61 CD GLN A 5 0.377 -10.406 -12.684 1.00 0.00 C ATOM 62 OE1 GLN A 5 1.514 -10.501 -12.220 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.057 -9.310 -13.296 1.00 0.00 N ATOM 0 H GLN A 5 -3.352 -10.283 -13.355 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.102 -12.873 -11.936 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.672 -10.289 -11.232 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.354 -11.896 -10.608 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.056 -12.478 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.101 -11.692 -13.542 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.007 -9.275 -13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.560 -8.504 -13.396 1.00 0.00 H new ATOM 72 N ASP A 6 -5.260 -10.915 -11.378 1.00 0.00 N ATOM 73 CA ASP A 6 -6.316 -10.413 -10.503 1.00 0.00 C ATOM 74 C ASP A 6 -5.864 -9.146 -9.780 1.00 0.00 C ATOM 75 O ASP A 6 -5.154 -8.317 -10.349 1.00 0.00 O ATOM 76 CB ASP A 6 -6.721 -11.482 -9.486 1.00 0.00 C ATOM 77 CG ASP A 6 -6.995 -12.825 -10.135 1.00 0.00 C ATOM 78 OD1 ASP A 6 -6.028 -13.584 -10.360 1.00 0.00 O ATOM 79 OD2 ASP A 6 -8.175 -13.119 -10.418 1.00 0.00 O ATOM 0 H ASP A 6 -5.514 -10.959 -12.365 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.180 -10.169 -11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.928 -11.594 -8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.612 -11.152 -8.951 1.00 0.00 H new ATOM 84 N CYS A 7 -6.280 -8.997 -8.524 1.00 0.00 N ATOM 85 CA CYS A 7 -5.915 -7.827 -7.733 1.00 0.00 C ATOM 86 C CYS A 7 -5.591 -8.220 -6.293 1.00 0.00 C ATOM 87 O CYS A 7 -6.484 -8.336 -5.455 1.00 0.00 O ATOM 88 CB CYS A 7 -7.050 -6.800 -7.759 1.00 0.00 C ATOM 89 SG CYS A 7 -7.136 -5.737 -6.279 1.00 0.00 S ATOM 0 H CYS A 7 -6.869 -9.671 -8.034 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.022 -7.382 -8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.932 -6.168 -8.639 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.998 -7.327 -7.869 1.00 0.00 H new ATOM 94 N PRO A 8 -4.300 -8.425 -5.990 1.00 0.00 N ATOM 95 CA PRO A 8 -3.847 -8.804 -4.645 1.00 0.00 C ATOM 96 C PRO A 8 -4.297 -7.806 -3.579 1.00 0.00 C ATOM 97 O PRO A 8 -5.452 -7.379 -3.568 1.00 0.00 O ATOM 98 CB PRO A 8 -2.319 -8.812 -4.772 1.00 0.00 C ATOM 99 CG PRO A 8 -2.057 -9.000 -6.227 1.00 0.00 C ATOM 100 CD PRO A 8 -3.180 -8.300 -6.936 1.00 0.00 C ATOM 0 HA PRO A 8 -4.263 -9.760 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.887 -7.879 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.878 -9.617 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.092 -8.578 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.030 -10.058 -6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.940 -7.257 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.407 -8.769 -7.894 1.00 0.00 H new ATOM 108 N GLU A 9 -3.382 -7.441 -2.682 1.00 0.00 N ATOM 109 CA GLU A 9 -3.687 -6.496 -1.613 1.00 0.00 C ATOM 110 C GLU A 9 -2.751 -5.296 -1.668 1.00 0.00 C ATOM 111 O GLU A 9 -1.659 -5.373 -2.230 1.00 0.00 O ATOM 112 CB GLU A 9 -3.573 -7.186 -0.251 1.00 0.00 C ATOM 113 CG GLU A 9 -4.406 -6.529 0.837 1.00 0.00 C ATOM 114 CD GLU A 9 -4.547 -7.403 2.068 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.990 -8.521 2.068 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.216 -6.970 3.030 1.00 0.00 O ATOM 0 H GLU A 9 -2.422 -7.787 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.709 -6.143 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.881 -8.227 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.528 -7.192 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.947 -5.581 1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.396 -6.299 0.443 1.00 0.00 H new ATOM 123 N CYS A 10 -3.186 -4.183 -1.085 1.00 0.00 N ATOM 124 CA CYS A 10 -2.383 -2.969 -1.076 1.00 0.00 C ATOM 125 C CYS A 10 -1.059 -3.193 -0.355 1.00 0.00 C ATOM 126 O CYS A 10 -0.998 -3.190 0.875 1.00 0.00 O ATOM 127 CB CYS A 10 -3.146 -1.824 -0.413 1.00 0.00 C ATOM 128 SG CYS A 10 -2.350 -0.199 -0.615 1.00 0.00 S ATOM 0 H CYS A 10 -4.087 -4.098 -0.615 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.173 -2.703 -2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.152 -1.780 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.251 -2.037 0.651 1.00 0.00 H new ATOM 133 N THR A 11 0.001 -3.377 -1.133 1.00 0.00 N ATOM 134 CA THR A 11 1.332 -3.593 -0.583 1.00 0.00 C ATOM 135 C THR A 11 2.310 -2.596 -1.179 1.00 0.00 C ATOM 136 O THR A 11 1.933 -1.475 -1.507 1.00 0.00 O ATOM 137 CB THR A 11 1.802 -5.019 -0.863 1.00 0.00 C ATOM 138 OG1 THR A 11 3.109 -5.226 -0.360 1.00 0.00 O ATOM 139 CG2 THR A 11 1.818 -5.363 -2.337 1.00 0.00 C ATOM 0 H THR A 11 -0.037 -3.381 -2.152 1.00 0.00 H new ATOM 0 HA THR A 11 1.289 -3.447 0.496 1.00 0.00 H new ATOM 0 HB THR A 11 1.081 -5.664 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.258 -4.644 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.161 -6.389 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.812 -5.262 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.492 -4.686 -2.861 1.00 0.00 H new ATOM 147 N LEU A 12 3.562 -3.009 -1.318 1.00 0.00 N ATOM 148 CA LEU A 12 4.591 -2.145 -1.879 1.00 0.00 C ATOM 149 C LEU A 12 5.037 -2.653 -3.245 1.00 0.00 C ATOM 150 O LEU A 12 5.262 -3.849 -3.431 1.00 0.00 O ATOM 151 CB LEU A 12 5.781 -2.065 -0.929 1.00 0.00 C ATOM 152 CG LEU A 12 5.599 -1.113 0.254 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.241 -1.331 0.901 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.713 -1.314 1.266 1.00 0.00 C ATOM 0 H LEU A 12 3.890 -3.937 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 12 4.173 -1.147 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.988 -3.064 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.659 -1.754 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 12 5.646 -0.087 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.124 -0.647 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.455 -1.144 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.168 -2.359 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.572 -0.630 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.693 -2.341 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.675 -1.115 0.793 1.00 0.00 H new ATOM 166 N GLN A 13 5.151 -1.738 -4.201 1.00 0.00 N ATOM 167 CA GLN A 13 5.557 -2.100 -5.555 1.00 0.00 C ATOM 168 C GLN A 13 7.021 -1.851 -5.783 1.00 0.00 C ATOM 169 O GLN A 13 7.417 -1.195 -6.745 1.00 0.00 O ATOM 170 CB GLN A 13 4.773 -1.324 -6.571 1.00 0.00 C ATOM 171 CG GLN A 13 3.289 -1.459 -6.375 1.00 0.00 C ATOM 172 CD GLN A 13 2.598 -2.124 -7.550 1.00 0.00 C ATOM 173 OE1 GLN A 13 1.661 -1.574 -8.128 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.059 -3.317 -7.910 1.00 0.00 N ATOM 0 H GLN A 13 4.969 -0.744 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 13 5.359 -3.166 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.050 -0.271 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.038 -1.669 -7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.098 -2.038 -5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.857 -0.471 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.838 -3.737 -7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.634 -3.813 -8.693 1.00 0.00 H new ATOM 183 N GLU A 14 7.796 -2.375 -4.880 1.00 0.00 N ATOM 184 CA GLU A 14 9.248 -2.239 -4.916 1.00 0.00 C ATOM 185 C GLU A 14 9.692 -1.421 -6.112 1.00 0.00 C ATOM 186 O GLU A 14 9.467 -1.783 -7.268 1.00 0.00 O ATOM 187 CB GLU A 14 9.939 -3.589 -4.945 1.00 0.00 C ATOM 188 CG GLU A 14 11.449 -3.501 -4.778 1.00 0.00 C ATOM 189 CD GLU A 14 12.161 -4.739 -5.283 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.489 -5.609 -5.878 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.389 -4.841 -5.085 1.00 0.00 O ATOM 0 H GLU A 14 7.450 -2.915 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 14 9.536 -1.721 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.530 -4.215 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.714 -4.083 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.820 -2.628 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.687 -3.353 -3.725 1.00 0.00 H new ATOM 198 N ASN A 15 10.311 -0.315 -5.803 1.00 0.00 N ATOM 199 CA ASN A 15 10.802 0.616 -6.801 1.00 0.00 C ATOM 200 C ASN A 15 11.563 -0.086 -7.917 1.00 0.00 C ATOM 201 O ASN A 15 12.632 -0.656 -7.693 1.00 0.00 O ATOM 202 CB ASN A 15 11.701 1.640 -6.136 1.00 0.00 C ATOM 203 CG ASN A 15 11.697 2.972 -6.850 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.667 3.038 -8.079 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.731 4.042 -6.074 1.00 0.00 N ATOM 0 H ASN A 15 10.494 -0.025 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 15 9.939 1.106 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.379 1.784 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.720 1.254 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.733 4.974 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.755 3.936 -5.060 1.00 0.00 H new ATOM 212 N PRO A 16 11.029 -0.031 -9.145 1.00 0.00 N ATOM 213 CA PRO A 16 11.663 -0.639 -10.312 1.00 0.00 C ATOM 214 C PRO A 16 12.772 0.248 -10.863 1.00 0.00 C ATOM 215 O PRO A 16 13.225 0.077 -11.996 1.00 0.00 O ATOM 216 CB PRO A 16 10.511 -0.747 -11.306 1.00 0.00 C ATOM 217 CG PRO A 16 9.637 0.418 -10.982 1.00 0.00 C ATOM 218 CD PRO A 16 9.768 0.649 -9.497 1.00 0.00 C ATOM 0 HA PRO A 16 12.138 -1.595 -10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.868 -0.703 -12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.976 -1.690 -11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.945 1.302 -11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.601 0.214 -11.253 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.807 1.712 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.922 0.231 -8.951 1.00 0.00 H new ATOM 226 N PHE A 17 13.198 1.197 -10.041 1.00 0.00 N ATOM 227 CA PHE A 17 14.251 2.134 -10.404 1.00 0.00 C ATOM 228 C PHE A 17 15.359 2.092 -9.368 1.00 0.00 C ATOM 229 O PHE A 17 16.527 1.871 -9.688 1.00 0.00 O ATOM 230 CB PHE A 17 13.686 3.552 -10.480 1.00 0.00 C ATOM 231 CG PHE A 17 14.709 4.586 -10.847 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.695 4.957 -9.946 1.00 0.00 C ATOM 233 CD2 PHE A 17 14.682 5.190 -12.092 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.636 5.911 -10.283 1.00 0.00 C ATOM 235 CE2 PHE A 17 15.620 6.144 -12.434 1.00 0.00 C ATOM 236 CZ PHE A 17 16.598 6.506 -11.529 1.00 0.00 C ATOM 0 H PHE A 17 12.823 1.339 -9.103 1.00 0.00 H new ATOM 0 HA PHE A 17 14.651 1.851 -11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.880 3.574 -11.213 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.248 3.812 -9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.728 4.495 -8.970 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.919 4.912 -12.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.400 6.191 -9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 17 15.589 6.607 -13.409 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.332 7.253 -11.795 1.00 0.00 H new ATOM 246 N PHE A 18 14.972 2.306 -8.119 1.00 0.00 N ATOM 247 CA PHE A 18 15.911 2.298 -7.012 1.00 0.00 C ATOM 248 C PHE A 18 16.349 0.876 -6.692 1.00 0.00 C ATOM 249 O PHE A 18 17.346 0.663 -6.002 1.00 0.00 O ATOM 250 CB PHE A 18 15.271 2.932 -5.781 1.00 0.00 C ATOM 251 CG PHE A 18 16.212 3.791 -4.992 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.388 3.265 -4.494 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.918 5.122 -4.750 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.261 4.050 -3.766 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.787 5.915 -4.023 1.00 0.00 C ATOM 256 CZ PHE A 18 17.960 5.378 -3.530 1.00 0.00 C ATOM 0 H PHE A 18 14.006 2.488 -7.848 1.00 0.00 H new ATOM 0 HA PHE A 18 16.789 2.877 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.418 3.534 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.884 2.143 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.628 2.228 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 18 15.001 5.545 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.177 3.627 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.549 6.953 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.640 5.994 -2.961 1.00 0.00 H new ATOM 266 N SER A 19 15.597 -0.096 -7.198 1.00 0.00 N ATOM 267 CA SER A 19 15.910 -1.498 -6.967 1.00 0.00 C ATOM 268 C SER A 19 17.355 -1.794 -7.354 1.00 0.00 C ATOM 269 O SER A 19 17.625 -2.325 -8.431 1.00 0.00 O ATOM 270 CB SER A 19 14.956 -2.393 -7.759 1.00 0.00 C ATOM 271 OG SER A 19 14.876 -1.983 -9.114 1.00 0.00 O ATOM 0 H SER A 19 14.768 0.063 -7.770 1.00 0.00 H new ATOM 0 HA SER A 19 15.786 -1.708 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.297 -3.427 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.964 -2.362 -7.307 1.00 0.00 H new ATOM 0 HG SER A 19 15.778 -1.930 -9.493 1.00 0.00 H new ATOM 277 N GLN A 20 18.279 -1.432 -6.469 1.00 0.00 N ATOM 278 CA GLN A 20 19.700 -1.641 -6.712 1.00 0.00 C ATOM 279 C GLN A 20 20.228 -2.821 -5.905 1.00 0.00 C ATOM 280 O GLN A 20 19.553 -3.319 -5.003 1.00 0.00 O ATOM 281 CB GLN A 20 20.482 -0.367 -6.369 1.00 0.00 C ATOM 282 CG GLN A 20 21.083 -0.360 -4.971 1.00 0.00 C ATOM 283 CD GLN A 20 22.130 0.725 -4.795 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.836 1.811 -4.296 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.361 0.437 -5.205 1.00 0.00 N ATOM 0 H GLN A 20 18.066 -0.991 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 20 19.837 -1.871 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.283 -0.239 -7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.818 0.492 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.289 -0.217 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.533 -1.332 -4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.562 -0.476 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.105 1.129 -5.111 1.00 0.00 H new ATOM 294 N PRO A 21 21.447 -3.283 -6.222 1.00 0.00 N ATOM 295 CA PRO A 21 22.073 -4.408 -5.523 1.00 0.00 C ATOM 296 C PRO A 21 22.273 -4.110 -4.044 1.00 0.00 C ATOM 297 O PRO A 21 23.401 -4.054 -3.555 1.00 0.00 O ATOM 298 CB PRO A 21 23.426 -4.573 -6.226 1.00 0.00 C ATOM 299 CG PRO A 21 23.280 -3.861 -7.528 1.00 0.00 C ATOM 300 CD PRO A 21 22.312 -2.741 -7.282 1.00 0.00 C ATOM 0 HA PRO A 21 21.457 -5.307 -5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.233 -4.145 -5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.665 -5.626 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.240 -3.478 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.909 -4.534 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.820 -1.831 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.745 -2.492 -8.179 1.00 0.00 H new ATOM 308 N GLY A 22 21.166 -3.912 -3.340 1.00 0.00 N ATOM 309 CA GLY A 22 21.229 -3.614 -1.925 1.00 0.00 C ATOM 310 C GLY A 22 20.103 -2.709 -1.476 1.00 0.00 C ATOM 311 O GLY A 22 19.922 -2.483 -0.279 1.00 0.00 O ATOM 0 H GLY A 22 20.223 -3.953 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.192 -4.544 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.184 -3.141 -1.698 1.00 0.00 H new ATOM 315 N ALA A 23 19.346 -2.182 -2.432 1.00 0.00 N ATOM 316 CA ALA A 23 18.243 -1.292 -2.110 1.00 0.00 C ATOM 317 C ALA A 23 17.103 -1.422 -3.097 1.00 0.00 C ATOM 318 O ALA A 23 17.155 -0.930 -4.224 1.00 0.00 O ATOM 319 CB ALA A 23 18.737 0.140 -2.037 1.00 0.00 C ATOM 0 H ALA A 23 19.476 -2.356 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 23 17.852 -1.583 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.904 0.800 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.501 0.222 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.161 0.428 -2.999 1.00 0.00 H new ATOM 325 N PRO A 24 16.062 -2.122 -2.655 1.00 0.00 N ATOM 326 CA PRO A 24 14.870 -2.400 -3.418 1.00 0.00 C ATOM 327 C PRO A 24 13.688 -1.547 -2.994 1.00 0.00 C ATOM 328 O PRO A 24 12.690 -2.051 -2.478 1.00 0.00 O ATOM 329 CB PRO A 24 14.649 -3.861 -3.049 1.00 0.00 C ATOM 330 CG PRO A 24 15.163 -3.989 -1.637 1.00 0.00 C ATOM 331 CD PRO A 24 15.973 -2.755 -1.345 1.00 0.00 C ATOM 0 HA PRO A 24 14.969 -2.192 -4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.594 -4.128 -3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.186 -4.525 -3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.336 -4.082 -0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.774 -4.885 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.483 -2.111 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.957 -3.000 -0.944 1.00 0.00 H new ATOM 339 N ILE A 25 13.821 -0.251 -3.216 1.00 0.00 N ATOM 340 CA ILE A 25 12.806 0.710 -2.881 1.00 0.00 C ATOM 341 C ILE A 25 11.396 0.248 -3.227 1.00 0.00 C ATOM 342 O ILE A 25 11.194 -0.897 -3.622 1.00 0.00 O ATOM 343 CB ILE A 25 13.159 2.013 -3.564 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.443 2.495 -2.945 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.077 3.039 -3.350 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.286 2.630 -1.456 1.00 0.00 C ATOM 0 H ILE A 25 14.652 0.161 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 25 12.789 0.841 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 25 13.264 1.863 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.248 1.796 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.724 3.456 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.352 3.968 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.138 2.669 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.956 3.223 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.223 2.979 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.495 3.347 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.027 1.662 -1.028 1.00 0.00 H new ATOM 358 N LEU A 26 10.410 1.115 -2.983 1.00 0.00 N ATOM 359 CA LEU A 26 9.013 0.753 -3.163 1.00 0.00 C ATOM 360 C LEU A 26 8.114 1.890 -3.587 1.00 0.00 C ATOM 361 O LEU A 26 8.535 2.880 -4.174 1.00 0.00 O ATOM 362 CB LEU A 26 8.555 0.267 -1.813 1.00 0.00 C ATOM 363 CG LEU A 26 9.706 0.141 -0.832 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.277 0.524 0.566 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.285 -1.266 -0.849 1.00 0.00 C ATOM 0 H LEU A 26 10.559 2.071 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 26 8.947 0.017 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.812 0.957 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.065 -0.701 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 26 10.486 0.834 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.123 0.424 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.929 1.557 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.470 -0.132 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.108 -1.329 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.511 -1.982 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.652 -1.496 -1.849 1.00 0.00 H new ATOM 377 N GLN A 27 6.849 1.700 -3.262 1.00 0.00 N ATOM 378 CA GLN A 27 5.805 2.675 -3.566 1.00 0.00 C ATOM 379 C GLN A 27 4.415 2.033 -3.545 1.00 0.00 C ATOM 380 O GLN A 27 3.750 1.918 -4.573 1.00 0.00 O ATOM 381 CB GLN A 27 6.077 3.332 -4.915 1.00 0.00 C ATOM 382 CG GLN A 27 4.867 4.031 -5.514 1.00 0.00 C ATOM 383 CD GLN A 27 4.434 3.423 -6.834 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.072 2.249 -6.901 1.00 0.00 O ATOM 385 NE2 GLN A 27 4.469 4.225 -7.892 1.00 0.00 N ATOM 0 H GLN A 27 6.511 0.867 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 27 5.822 3.442 -2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.883 4.057 -4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.429 2.573 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.038 3.983 -4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.099 5.086 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.776 5.192 -7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.188 3.874 -8.808 1.00 0.00 H new ATOM 394 N CYS A 28 4.004 1.622 -2.349 1.00 0.00 N ATOM 395 CA CYS A 28 2.706 0.983 -2.113 1.00 0.00 C ATOM 396 C CYS A 28 1.913 0.727 -3.394 1.00 0.00 C ATOM 397 O CYS A 28 1.530 1.661 -4.097 1.00 0.00 O ATOM 398 CB CYS A 28 1.846 1.831 -1.171 1.00 0.00 C ATOM 399 SG CYS A 28 1.022 0.876 0.146 1.00 0.00 S ATOM 0 H CYS A 28 4.567 1.723 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 28 2.935 0.018 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.474 2.595 -0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.088 2.350 -1.757 1.00 0.00 H new ATOM 404 N MET A 29 1.641 -0.545 -3.666 1.00 0.00 N ATOM 405 CA MET A 29 0.857 -0.930 -4.836 1.00 0.00 C ATOM 406 C MET A 29 -0.523 -0.283 -4.790 1.00 0.00 C ATOM 407 O MET A 29 -0.737 0.782 -5.368 1.00 0.00 O ATOM 408 CB MET A 29 0.715 -2.454 -4.904 1.00 0.00 C ATOM 409 CG MET A 29 -0.289 -2.927 -5.942 1.00 0.00 C ATOM 410 SD MET A 29 -0.708 -4.671 -5.761 1.00 0.00 S ATOM 411 CE MET A 29 -0.856 -5.165 -7.477 1.00 0.00 C ATOM 0 H MET A 29 1.952 -1.328 -3.092 1.00 0.00 H new ATOM 0 HA MET A 29 1.379 -0.583 -5.728 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.688 -2.891 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.415 -2.826 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.197 -2.329 -5.862 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.118 -2.757 -6.939 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.865 -6.253 -7.543 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.783 -4.769 -7.891 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.010 -4.774 -8.042 1.00 0.00 H new ATOM 421 N GLY A 30 -1.455 -0.925 -4.092 1.00 0.00 N ATOM 422 CA GLY A 30 -2.797 -0.381 -3.982 1.00 0.00 C ATOM 423 C GLY A 30 -3.866 -1.312 -4.520 1.00 0.00 C ATOM 424 O GLY A 30 -4.308 -1.164 -5.659 1.00 0.00 O ATOM 0 H GLY A 30 -1.306 -1.808 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.008 -0.162 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.844 0.565 -4.521 1.00 0.00 H new ATOM 428 N CYS A 31 -4.294 -2.266 -3.699 1.00 0.00 N ATOM 429 CA CYS A 31 -5.327 -3.208 -4.106 1.00 0.00 C ATOM 430 C CYS A 31 -5.829 -4.011 -2.917 1.00 0.00 C ATOM 431 O CYS A 31 -5.946 -5.233 -2.986 1.00 0.00 O ATOM 432 CB CYS A 31 -4.796 -4.148 -5.191 1.00 0.00 C ATOM 433 SG CYS A 31 -5.838 -4.230 -6.684 1.00 0.00 S ATOM 0 H CYS A 31 -3.942 -2.406 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.163 -2.638 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.795 -3.825 -5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.700 -5.150 -4.773 1.00 0.00 H new ATOM 438 N CYS A 32 -6.128 -3.314 -1.831 1.00 0.00 N ATOM 439 CA CYS A 32 -6.623 -3.962 -0.621 1.00 0.00 C ATOM 440 C CYS A 32 -8.068 -4.417 -0.800 1.00 0.00 C ATOM 441 O CYS A 32 -8.944 -4.058 -0.013 1.00 0.00 O ATOM 442 CB CYS A 32 -6.515 -3.018 0.580 1.00 0.00 C ATOM 443 SG CYS A 32 -5.137 -3.404 1.709 1.00 0.00 S ATOM 0 H CYS A 32 -6.037 -2.300 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.004 -4.840 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.398 -1.997 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.450 -3.052 1.140 1.00 0.00 H new ATOM 448 N PHE A 33 -8.310 -5.209 -1.841 1.00 0.00 N ATOM 449 CA PHE A 33 -9.649 -5.712 -2.121 1.00 0.00 C ATOM 450 C PHE A 33 -10.664 -4.574 -2.118 1.00 0.00 C ATOM 451 O PHE A 33 -10.293 -3.399 -2.136 1.00 0.00 O ATOM 452 CB PHE A 33 -10.047 -6.768 -1.089 1.00 0.00 C ATOM 453 CG PHE A 33 -8.876 -7.466 -0.451 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.713 -7.698 -1.167 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.945 -7.893 0.866 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.639 -8.342 -0.580 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.875 -8.537 1.458 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.720 -8.762 0.733 1.00 0.00 C ATOM 0 H PHE A 33 -7.597 -5.515 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.641 -6.169 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.644 -6.294 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.683 -7.511 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.644 -7.373 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.846 -7.720 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.737 -8.516 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.941 -8.864 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.882 -9.265 1.193 1.00 0.00 H new ATOM 468 N SER A 34 -11.944 -4.926 -2.091 1.00 0.00 N ATOM 469 CA SER A 34 -13.010 -3.931 -2.080 1.00 0.00 C ATOM 470 C SER A 34 -14.145 -4.362 -1.156 1.00 0.00 C ATOM 471 O SER A 34 -15.295 -4.479 -1.579 1.00 0.00 O ATOM 472 CB SER A 34 -13.544 -3.702 -3.495 1.00 0.00 C ATOM 473 OG SER A 34 -12.503 -3.785 -4.454 1.00 0.00 O ATOM 0 H SER A 34 -12.269 -5.893 -2.076 1.00 0.00 H new ATOM 0 HA SER A 34 -12.595 -2.996 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.311 -4.443 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.019 -2.723 -3.554 1.00 0.00 H new ATOM 0 HG SER A 34 -12.871 -3.636 -5.350 1.00 0.00 H new ATOM 479 N ARG A 35 -13.809 -4.596 0.110 1.00 0.00 N ATOM 480 CA ARG A 35 -14.797 -5.016 1.098 1.00 0.00 C ATOM 481 C ARG A 35 -15.818 -3.913 1.347 1.00 0.00 C ATOM 482 O ARG A 35 -15.478 -2.731 1.372 1.00 0.00 O ATOM 483 CB ARG A 35 -14.109 -5.391 2.411 1.00 0.00 C ATOM 484 CG ARG A 35 -15.077 -5.643 3.556 1.00 0.00 C ATOM 485 CD ARG A 35 -16.010 -6.804 3.252 1.00 0.00 C ATOM 486 NE ARG A 35 -17.367 -6.554 3.729 1.00 0.00 N ATOM 487 CZ ARG A 35 -18.213 -7.517 4.078 1.00 0.00 C ATOM 488 NH1 ARG A 35 -17.841 -8.788 4.004 1.00 0.00 N ATOM 489 NH2 ARG A 35 -19.433 -7.210 4.500 1.00 0.00 N ATOM 0 H ARG A 35 -12.861 -4.502 0.475 1.00 0.00 H new ATOM 0 HA ARG A 35 -15.318 -5.889 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.506 -6.285 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.425 -4.591 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.517 -5.854 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.663 -4.743 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.030 -6.981 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.624 -7.711 3.717 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.683 -5.587 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.904 -9.027 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.492 -9.526 4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.722 -6.234 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -20.081 -7.950 4.768 1.00 0.00 H new ATOM 503 N ALA A 36 -17.072 -4.308 1.532 1.00 0.00 N ATOM 504 CA ALA A 36 -18.141 -3.353 1.781 1.00 0.00 C ATOM 505 C ALA A 36 -18.936 -3.729 3.022 1.00 0.00 C ATOM 506 O ALA A 36 -19.994 -4.353 2.931 1.00 0.00 O ATOM 507 CB ALA A 36 -19.062 -3.265 0.579 1.00 0.00 C ATOM 0 H ALA A 36 -17.372 -5.283 1.514 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.685 -2.378 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.856 -2.547 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.493 -2.941 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.499 -4.244 0.383 1.00 0.00 H new ATOM 513 N TYR A 37 -18.425 -3.339 4.179 1.00 0.00 N ATOM 514 CA TYR A 37 -19.094 -3.628 5.440 1.00 0.00 C ATOM 515 C TYR A 37 -20.500 -3.029 5.436 1.00 0.00 C ATOM 516 O TYR A 37 -21.489 -3.753 5.313 1.00 0.00 O ATOM 517 CB TYR A 37 -18.275 -3.092 6.615 1.00 0.00 C ATOM 518 CG TYR A 37 -17.266 -4.082 7.156 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.665 -5.152 7.948 1.00 0.00 C ATOM 520 CD2 TYR A 37 -15.912 -3.943 6.874 1.00 0.00 C ATOM 521 CE1 TYR A 37 -16.743 -6.055 8.445 1.00 0.00 C ATOM 522 CE2 TYR A 37 -14.984 -4.843 7.367 1.00 0.00 C ATOM 523 CZ TYR A 37 -15.405 -5.897 8.151 1.00 0.00 C ATOM 524 OH TYR A 37 -14.484 -6.794 8.643 1.00 0.00 O ATOM 0 H TYR A 37 -17.551 -2.822 4.272 1.00 0.00 H new ATOM 0 HA TYR A 37 -19.180 -4.709 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.752 -2.189 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.954 -2.803 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.712 -5.280 8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.579 -3.119 6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.069 -6.880 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -13.935 -4.721 7.139 1.00 0.00 H new ATOM 0 HH TYR A 37 -13.587 -6.540 8.342 1.00 0.00 H new ATOM 534 N PRO A 38 -20.612 -1.694 5.550 1.00 0.00 N ATOM 535 CA PRO A 38 -21.901 -1.005 5.537 1.00 0.00 C ATOM 536 C PRO A 38 -22.351 -0.688 4.115 1.00 0.00 C ATOM 537 O PRO A 38 -21.875 -1.295 3.156 1.00 0.00 O ATOM 538 CB PRO A 38 -21.582 0.281 6.287 1.00 0.00 C ATOM 539 CG PRO A 38 -20.187 0.594 5.865 1.00 0.00 C ATOM 540 CD PRO A 38 -19.494 -0.737 5.687 1.00 0.00 C ATOM 0 HA PRO A 38 -22.708 -1.594 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -22.271 1.082 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -21.654 0.145 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -20.180 1.164 4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -19.680 1.200 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -18.853 -0.741 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.862 -0.978 6.542 1.00 0.00 H new ATOM 548 N THR A 39 -23.253 0.277 3.981 1.00 0.00 N ATOM 549 CA THR A 39 -23.741 0.681 2.669 1.00 0.00 C ATOM 550 C THR A 39 -22.718 1.583 1.984 1.00 0.00 C ATOM 551 O THR A 39 -22.402 2.664 2.481 1.00 0.00 O ATOM 552 CB THR A 39 -25.080 1.409 2.798 1.00 0.00 C ATOM 553 OG1 THR A 39 -25.985 0.656 3.587 1.00 0.00 O ATOM 554 CG2 THR A 39 -25.746 1.679 1.467 1.00 0.00 C ATOM 0 H THR A 39 -23.660 0.792 4.762 1.00 0.00 H new ATOM 0 HA THR A 39 -23.888 -0.213 2.062 1.00 0.00 H new ATOM 0 HB THR A 39 -24.846 2.364 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 39 -26.835 1.138 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 39 -26.691 2.197 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 39 -25.093 2.300 0.853 1.00 0.00 H new ATOM 0 HG23 THR A 39 -25.934 0.735 0.956 1.00 0.00 H new ATOM 562 N PRO A 40 -22.179 1.148 0.836 1.00 0.00 N ATOM 563 CA PRO A 40 -21.181 1.914 0.086 1.00 0.00 C ATOM 564 C PRO A 40 -21.592 3.369 -0.109 1.00 0.00 C ATOM 565 O PRO A 40 -22.674 3.658 -0.620 1.00 0.00 O ATOM 566 CB PRO A 40 -21.095 1.192 -1.268 1.00 0.00 C ATOM 567 CG PRO A 40 -22.194 0.177 -1.264 1.00 0.00 C ATOM 568 CD PRO A 40 -22.489 -0.124 0.177 1.00 0.00 C ATOM 0 HA PRO A 40 -20.229 1.955 0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -21.215 1.894 -2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.123 0.715 -1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -23.080 0.562 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -21.891 -0.725 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.529 -0.416 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -21.872 -0.939 0.556 1.00 0.00 H new ATOM 576 N LEU A 41 -20.718 4.284 0.304 1.00 0.00 N ATOM 577 CA LEU A 41 -20.986 5.712 0.179 1.00 0.00 C ATOM 578 C LEU A 41 -20.042 6.355 -0.834 1.00 0.00 C ATOM 579 O LEU A 41 -19.065 5.740 -1.260 1.00 0.00 O ATOM 580 CB LEU A 41 -20.842 6.400 1.537 1.00 0.00 C ATOM 581 CG LEU A 41 -20.905 5.465 2.747 1.00 0.00 C ATOM 582 CD1 LEU A 41 -19.518 5.250 3.333 1.00 0.00 C ATOM 583 CD2 LEU A 41 -21.848 6.023 3.801 1.00 0.00 C ATOM 0 H LEU A 41 -19.818 4.060 0.728 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.009 5.835 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.891 6.933 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.629 7.148 1.634 1.00 0.00 H new ATOM 0 HG LEU A 41 -21.289 4.500 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.585 4.582 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -18.869 4.806 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.104 6.208 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -21.881 5.346 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -21.492 7.000 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -22.848 6.123 3.378 1.00 0.00 H new ATOM 595 N ARG A 42 -20.342 7.592 -1.219 1.00 0.00 N ATOM 596 CA ARG A 42 -19.517 8.308 -2.187 1.00 0.00 C ATOM 597 C ARG A 42 -19.505 9.810 -1.907 1.00 0.00 C ATOM 598 O ARG A 42 -19.924 10.256 -0.839 1.00 0.00 O ATOM 599 CB ARG A 42 -20.025 8.050 -3.606 1.00 0.00 C ATOM 600 CG ARG A 42 -21.217 7.109 -3.665 1.00 0.00 C ATOM 601 CD ARG A 42 -22.078 7.385 -4.884 1.00 0.00 C ATOM 602 NE ARG A 42 -23.492 7.499 -4.542 1.00 0.00 N ATOM 603 CZ ARG A 42 -24.477 7.182 -5.372 1.00 0.00 C ATOM 604 NH1 ARG A 42 -24.199 6.746 -6.594 1.00 0.00 N ATOM 605 NH2 ARG A 42 -25.740 7.302 -4.987 1.00 0.00 N ATOM 0 H ARG A 42 -21.147 8.118 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.496 7.937 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -20.301 9.001 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -19.214 7.633 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -20.867 6.077 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -21.816 7.220 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -21.745 8.307 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -21.945 6.584 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 42 -23.737 7.842 -3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -23.229 6.655 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -24.956 6.502 -7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -25.957 7.639 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.494 7.057 -5.629 1.00 0.00 H new ATOM 619 N SER A 43 -19.018 10.582 -2.877 1.00 0.00 N ATOM 620 CA SER A 43 -18.945 12.034 -2.744 1.00 0.00 C ATOM 621 C SER A 43 -17.640 12.451 -2.073 1.00 0.00 C ATOM 622 O SER A 43 -17.609 12.736 -0.875 1.00 0.00 O ATOM 623 CB SER A 43 -20.136 12.561 -1.941 1.00 0.00 C ATOM 624 OG SER A 43 -20.276 13.964 -2.096 1.00 0.00 O ATOM 0 H SER A 43 -18.668 10.224 -3.765 1.00 0.00 H new ATOM 0 HA SER A 43 -18.976 12.466 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 43 -21.048 12.063 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.003 12.320 -0.886 1.00 0.00 H new ATOM 0 HG SER A 43 -21.045 14.276 -1.574 1.00 0.00 H new ATOM 630 N LYS A 44 -16.564 12.482 -2.853 1.00 0.00 N ATOM 631 CA LYS A 44 -15.252 12.859 -2.336 1.00 0.00 C ATOM 632 C LYS A 44 -14.325 13.287 -3.470 1.00 0.00 C ATOM 633 O LYS A 44 -13.132 12.984 -3.457 1.00 0.00 O ATOM 634 CB LYS A 44 -14.633 11.687 -1.570 1.00 0.00 C ATOM 635 CG LYS A 44 -13.606 12.110 -0.533 1.00 0.00 C ATOM 636 CD LYS A 44 -14.115 13.262 0.319 1.00 0.00 C ATOM 637 CE LYS A 44 -13.296 13.416 1.590 1.00 0.00 C ATOM 638 NZ LYS A 44 -13.994 14.255 2.603 1.00 0.00 N ATOM 0 H LYS A 44 -16.574 12.250 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.380 13.703 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.427 11.128 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.161 11.009 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.364 11.262 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.684 12.406 -1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.075 14.187 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.160 13.092 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.092 12.432 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.332 13.865 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.345 14.462 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.301 15.146 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.824 13.743 2.965 1.00 0.00 H new ATOM 652 N LYS A 45 -14.882 13.992 -4.449 1.00 0.00 N ATOM 653 CA LYS A 45 -14.107 14.461 -5.592 1.00 0.00 C ATOM 654 C LYS A 45 -13.886 13.333 -6.597 1.00 0.00 C ATOM 655 O LYS A 45 -14.568 13.263 -7.618 1.00 0.00 O ATOM 656 CB LYS A 45 -12.762 15.032 -5.130 1.00 0.00 C ATOM 657 CG LYS A 45 -12.082 15.907 -6.172 1.00 0.00 C ATOM 658 CD LYS A 45 -11.954 17.345 -5.697 1.00 0.00 C ATOM 659 CE LYS A 45 -10.530 17.669 -5.266 1.00 0.00 C ATOM 660 NZ LYS A 45 -9.720 18.219 -6.389 1.00 0.00 N ATOM 0 H LYS A 45 -15.868 14.251 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.672 15.253 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.917 15.616 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.097 14.208 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.093 15.507 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.653 15.879 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.255 18.021 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.635 17.515 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.553 18.390 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.053 16.767 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.758 18.426 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.676 17.522 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.161 19.094 -6.739 1.00 0.00 H new ATOM 674 N THR A 46 -12.933 12.452 -6.297 1.00 0.00 N ATOM 675 CA THR A 46 -12.617 11.321 -7.168 1.00 0.00 C ATOM 676 C THR A 46 -13.106 11.559 -8.595 1.00 0.00 C ATOM 677 O THR A 46 -12.393 12.133 -9.417 1.00 0.00 O ATOM 678 CB THR A 46 -13.235 10.036 -6.612 1.00 0.00 C ATOM 679 OG1 THR A 46 -12.614 9.672 -5.391 1.00 0.00 O ATOM 680 CG2 THR A 46 -13.121 8.857 -7.555 1.00 0.00 C ATOM 0 H THR A 46 -12.363 12.500 -5.452 1.00 0.00 H new ATOM 0 HA THR A 46 -11.532 11.217 -7.196 1.00 0.00 H new ATOM 0 HB THR A 46 -14.292 10.262 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.022 8.850 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.579 7.980 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.632 9.088 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.069 8.653 -7.757 1.00 0.00 H new ATOM 688 N MET A 47 -14.326 11.114 -8.881 1.00 0.00 N ATOM 689 CA MET A 47 -14.911 11.277 -10.208 1.00 0.00 C ATOM 690 C MET A 47 -13.984 10.723 -11.286 1.00 0.00 C ATOM 691 O MET A 47 -13.750 11.369 -12.307 1.00 0.00 O ATOM 692 CB MET A 47 -15.202 12.754 -10.485 1.00 0.00 C ATOM 693 CG MET A 47 -16.383 13.301 -9.700 1.00 0.00 C ATOM 694 SD MET A 47 -17.474 14.323 -10.710 1.00 0.00 S ATOM 695 CE MET A 47 -17.955 15.575 -9.522 1.00 0.00 C ATOM 0 H MET A 47 -14.929 10.637 -8.211 1.00 0.00 H new ATOM 0 HA MET A 47 -15.846 10.717 -10.233 1.00 0.00 H new ATOM 0 HB2 MET A 47 -14.315 13.341 -10.246 1.00 0.00 H new ATOM 0 HB3 MET A 47 -15.393 12.884 -11.550 1.00 0.00 H new ATOM 0 HG2 MET A 47 -16.953 12.471 -9.282 1.00 0.00 H new ATOM 0 HG3 MET A 47 -16.015 13.890 -8.860 1.00 0.00 H new ATOM 0 HE1 MET A 47 -18.633 16.285 -9.996 1.00 0.00 H new ATOM 0 HE2 MET A 47 -18.457 15.102 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 47 -17.068 16.101 -9.168 1.00 0.00 H new ATOM 705 N LEU A 48 -13.463 9.524 -11.053 1.00 0.00 N ATOM 706 CA LEU A 48 -12.562 8.883 -12.005 1.00 0.00 C ATOM 707 C LEU A 48 -13.276 7.770 -12.764 1.00 0.00 C ATOM 708 O LEU A 48 -14.313 7.273 -12.323 1.00 0.00 O ATOM 709 CB LEU A 48 -11.343 8.313 -11.278 1.00 0.00 C ATOM 710 CG LEU A 48 -11.488 6.861 -10.817 1.00 0.00 C ATOM 711 CD1 LEU A 48 -10.771 5.921 -11.773 1.00 0.00 C ATOM 712 CD2 LEU A 48 -10.952 6.696 -9.403 1.00 0.00 C ATOM 0 H LEU A 48 -13.649 8.976 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.234 9.637 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.478 8.385 -11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.133 8.936 -10.408 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.547 6.605 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.886 4.894 -11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.200 6.019 -12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.712 6.176 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.063 5.658 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.898 6.972 -9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.511 7.340 -8.725 1.00 0.00 H new ATOM 724 N VAL A 49 -12.714 7.379 -13.904 1.00 0.00 N ATOM 725 CA VAL A 49 -13.301 6.317 -14.715 1.00 0.00 C ATOM 726 C VAL A 49 -13.936 5.255 -13.826 1.00 0.00 C ATOM 727 O VAL A 49 -13.238 4.481 -13.170 1.00 0.00 O ATOM 728 CB VAL A 49 -12.259 5.641 -15.630 1.00 0.00 C ATOM 729 CG1 VAL A 49 -12.810 5.483 -17.040 1.00 0.00 C ATOM 730 CG2 VAL A 49 -10.957 6.428 -15.643 1.00 0.00 C ATOM 0 H VAL A 49 -11.857 7.779 -14.286 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.060 6.785 -15.342 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.047 4.649 -15.232 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.062 5.004 -17.672 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.709 4.867 -17.012 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.055 6.464 -17.447 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.238 5.932 -16.295 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.145 7.436 -16.011 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.554 6.481 -14.632 1.00 0.00 H new ATOM 740 N GLN A 50 -15.261 5.230 -13.800 1.00 0.00 N ATOM 741 CA GLN A 50 -15.992 4.270 -12.983 1.00 0.00 C ATOM 742 C GLN A 50 -15.847 2.853 -13.529 1.00 0.00 C ATOM 743 O GLN A 50 -16.840 2.186 -13.822 1.00 0.00 O ATOM 744 CB GLN A 50 -17.469 4.657 -12.913 1.00 0.00 C ATOM 745 CG GLN A 50 -17.702 6.079 -12.429 1.00 0.00 C ATOM 746 CD GLN A 50 -17.621 6.201 -10.919 1.00 0.00 C ATOM 747 OE1 GLN A 50 -16.869 7.019 -10.389 1.00 0.00 O ATOM 748 NE2 GLN A 50 -18.398 5.385 -10.220 1.00 0.00 N ATOM 0 H GLN A 50 -15.853 5.864 -14.336 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.567 4.289 -11.979 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.914 4.541 -13.901 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -17.986 3.966 -12.247 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.963 6.739 -12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.682 6.418 -12.765 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -19.006 4.723 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -18.388 5.420 -9.201 1.00 0.00 H new ATOM 757 N LYS A 51 -14.605 2.394 -13.658 1.00 0.00 N ATOM 758 CA LYS A 51 -14.334 1.053 -14.164 1.00 0.00 C ATOM 759 C LYS A 51 -13.727 0.177 -13.071 1.00 0.00 C ATOM 760 O LYS A 51 -12.553 -0.187 -13.134 1.00 0.00 O ATOM 761 CB LYS A 51 -13.390 1.119 -15.366 1.00 0.00 C ATOM 762 CG LYS A 51 -14.080 0.857 -16.695 1.00 0.00 C ATOM 763 CD LYS A 51 -14.134 -0.629 -17.010 1.00 0.00 C ATOM 764 CE LYS A 51 -13.829 -0.899 -18.475 1.00 0.00 C ATOM 765 NZ LYS A 51 -12.550 -1.642 -18.651 1.00 0.00 N ATOM 0 H LYS A 51 -13.771 2.931 -13.419 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.279 0.610 -14.480 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.922 2.103 -15.397 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.591 0.390 -15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.092 1.261 -16.667 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.550 1.380 -17.491 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.418 -1.161 -16.384 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.122 -1.018 -16.765 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.645 -1.472 -18.915 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.776 0.047 -19.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.380 -1.805 -19.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.767 -1.084 -18.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.609 -2.556 -18.158 1.00 0.00 H new ATOM 779 N ASN A 52 -14.533 -0.154 -12.066 1.00 0.00 N ATOM 780 CA ASN A 52 -14.072 -0.982 -10.958 1.00 0.00 C ATOM 781 C ASN A 52 -13.015 -0.248 -10.141 1.00 0.00 C ATOM 782 O ASN A 52 -12.032 -0.842 -9.700 1.00 0.00 O ATOM 783 CB ASN A 52 -13.500 -2.303 -11.481 1.00 0.00 C ATOM 784 CG ASN A 52 -14.534 -3.125 -12.225 1.00 0.00 C ATOM 785 OD1 ASN A 52 -15.574 -3.482 -11.671 1.00 0.00 O ATOM 786 ND2 ASN A 52 -14.253 -3.432 -13.486 1.00 0.00 N ATOM 0 H ASN A 52 -15.508 0.139 -11.997 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.926 -1.195 -10.315 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.660 -2.095 -12.143 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.111 -2.884 -10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.911 -3.985 -14.035 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.379 -3.115 -13.905 1.00 0.00 H new ATOM 793 N VAL A 53 -13.225 1.049 -9.946 1.00 0.00 N ATOM 794 CA VAL A 53 -12.293 1.872 -9.185 1.00 0.00 C ATOM 795 C VAL A 53 -13.036 2.889 -8.326 1.00 0.00 C ATOM 796 O VAL A 53 -12.496 3.941 -7.985 1.00 0.00 O ATOM 797 CB VAL A 53 -11.324 2.622 -10.121 1.00 0.00 C ATOM 798 CG1 VAL A 53 -10.042 2.989 -9.388 1.00 0.00 C ATOM 799 CG2 VAL A 53 -11.023 1.786 -11.355 1.00 0.00 C ATOM 0 H VAL A 53 -14.035 1.554 -10.306 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.725 1.201 -8.540 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.803 3.546 -10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.373 3.517 -10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.279 3.631 -8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.554 2.082 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.338 2.330 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.566 0.844 -11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.949 1.584 -11.893 1.00 0.00 H new ATOM 809 N THR A 54 -14.280 2.571 -7.985 1.00 0.00 N ATOM 810 CA THR A 54 -15.099 3.464 -7.172 1.00 0.00 C ATOM 811 C THR A 54 -15.619 2.756 -5.921 1.00 0.00 C ATOM 812 O THR A 54 -15.783 3.375 -4.870 1.00 0.00 O ATOM 813 CB THR A 54 -16.268 4.001 -8.002 1.00 0.00 C ATOM 814 OG1 THR A 54 -16.532 5.355 -7.682 1.00 0.00 O ATOM 815 CG2 THR A 54 -17.554 3.226 -7.808 1.00 0.00 C ATOM 0 H THR A 54 -14.743 1.704 -8.258 1.00 0.00 H new ATOM 0 HA THR A 54 -14.475 4.297 -6.849 1.00 0.00 H new ATOM 0 HB THR A 54 -15.953 3.893 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.524 5.892 -8.501 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.338 3.662 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.400 2.187 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.851 3.271 -6.760 1.00 0.00 H new ATOM 823 N SER A 55 -15.881 1.457 -6.043 1.00 0.00 N ATOM 824 CA SER A 55 -16.389 0.669 -4.923 1.00 0.00 C ATOM 825 C SER A 55 -15.360 0.572 -3.800 1.00 0.00 C ATOM 826 O SER A 55 -15.654 0.891 -2.648 1.00 0.00 O ATOM 827 CB SER A 55 -16.775 -0.734 -5.392 1.00 0.00 C ATOM 828 OG SER A 55 -16.227 -1.013 -6.670 1.00 0.00 O ATOM 0 H SER A 55 -15.750 0.928 -6.905 1.00 0.00 H new ATOM 0 HA SER A 55 -17.272 1.176 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.421 -1.472 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.861 -0.822 -5.431 1.00 0.00 H new ATOM 0 HG SER A 55 -16.808 -0.637 -7.364 1.00 0.00 H new ATOM 834 N GLU A 56 -14.155 0.126 -4.143 1.00 0.00 N ATOM 835 CA GLU A 56 -13.082 -0.017 -3.164 1.00 0.00 C ATOM 836 C GLU A 56 -13.182 1.047 -2.077 1.00 0.00 C ATOM 837 O GLU A 56 -13.723 2.129 -2.301 1.00 0.00 O ATOM 838 CB GLU A 56 -11.719 0.075 -3.853 1.00 0.00 C ATOM 839 CG GLU A 56 -10.599 -0.604 -3.080 1.00 0.00 C ATOM 840 CD GLU A 56 -9.400 0.300 -2.873 1.00 0.00 C ATOM 841 OE1 GLU A 56 -9.479 1.201 -2.012 1.00 0.00 O ATOM 842 OE2 GLU A 56 -8.383 0.107 -3.572 1.00 0.00 O ATOM 0 H GLU A 56 -13.897 -0.143 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.185 -0.997 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.791 -0.375 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.465 1.125 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.977 -0.928 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.285 -1.500 -3.615 1.00 0.00 H new ATOM 849 N SER A 57 -12.652 0.729 -0.900 1.00 0.00 N ATOM 850 CA SER A 57 -12.675 1.656 0.226 1.00 0.00 C ATOM 851 C SER A 57 -11.315 1.691 0.925 1.00 0.00 C ATOM 852 O SER A 57 -10.318 1.212 0.384 1.00 0.00 O ATOM 853 CB SER A 57 -13.773 1.258 1.218 1.00 0.00 C ATOM 854 OG SER A 57 -13.239 1.004 2.505 1.00 0.00 O ATOM 0 H SER A 57 -12.201 -0.164 -0.701 1.00 0.00 H new ATOM 0 HA SER A 57 -12.891 2.654 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.515 2.054 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.289 0.369 0.855 1.00 0.00 H new ATOM 0 HG SER A 57 -13.963 0.754 3.116 1.00 0.00 H new ATOM 860 N THR A 58 -11.281 2.261 2.125 1.00 0.00 N ATOM 861 CA THR A 58 -10.044 2.358 2.894 1.00 0.00 C ATOM 862 C THR A 58 -8.957 3.066 2.092 1.00 0.00 C ATOM 863 O THR A 58 -9.152 3.400 0.924 1.00 0.00 O ATOM 864 CB THR A 58 -9.560 0.966 3.305 1.00 0.00 C ATOM 865 OG1 THR A 58 -9.791 0.027 2.271 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.233 0.445 4.557 1.00 0.00 C ATOM 0 H THR A 58 -12.096 2.663 2.587 1.00 0.00 H new ATOM 0 HA THR A 58 -10.252 2.943 3.790 1.00 0.00 H new ATOM 0 HB THR A 58 -8.494 1.079 3.503 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.566 0.430 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.845 -0.546 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.031 1.122 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.309 0.384 4.393 1.00 0.00 H new ATOM 874 N CYS A 59 -7.810 3.291 2.727 1.00 0.00 N ATOM 875 CA CYS A 59 -6.691 3.954 2.070 1.00 0.00 C ATOM 876 C CYS A 59 -5.368 3.566 2.720 1.00 0.00 C ATOM 877 O CYS A 59 -5.268 3.487 3.944 1.00 0.00 O ATOM 878 CB CYS A 59 -6.869 5.474 2.116 1.00 0.00 C ATOM 879 SG CYS A 59 -8.550 6.039 1.697 1.00 0.00 S ATOM 0 H CYS A 59 -7.633 3.024 3.695 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.672 3.629 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.617 5.829 3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.161 5.933 1.427 1.00 0.00 H new ATOM 884 N CYS A 60 -4.357 3.322 1.894 1.00 0.00 N ATOM 885 CA CYS A 60 -3.044 2.940 2.397 1.00 0.00 C ATOM 886 C CYS A 60 -2.006 4.017 2.103 1.00 0.00 C ATOM 887 O CYS A 60 -1.761 4.364 0.947 1.00 0.00 O ATOM 888 CB CYS A 60 -2.602 1.608 1.790 1.00 0.00 C ATOM 889 SG CYS A 60 -3.591 1.074 0.360 1.00 0.00 S ATOM 0 H CYS A 60 -4.421 3.382 0.878 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.124 2.827 3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.558 1.689 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.651 0.837 2.559 1.00 0.00 H new ATOM 894 N VAL A 61 -1.400 4.536 3.163 1.00 0.00 N ATOM 895 CA VAL A 61 -0.382 5.570 3.045 1.00 0.00 C ATOM 896 C VAL A 61 0.850 5.189 3.856 1.00 0.00 C ATOM 897 O VAL A 61 1.100 5.762 4.915 1.00 0.00 O ATOM 898 CB VAL A 61 -0.911 6.928 3.546 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.089 8.037 3.261 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.261 7.239 2.916 1.00 0.00 C ATOM 0 H VAL A 61 -1.599 4.254 4.123 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.119 5.659 1.991 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.044 6.867 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.307 8.986 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.029 7.818 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.263 8.103 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.620 8.201 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.156 7.278 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.975 6.460 3.184 1.00 0.00 H new ATOM 910 N ALA A 62 1.605 4.205 3.361 1.00 0.00 N ATOM 911 CA ALA A 62 2.800 3.733 4.057 1.00 0.00 C ATOM 912 C ALA A 62 2.784 4.165 5.518 1.00 0.00 C ATOM 913 O ALA A 62 3.201 5.273 5.852 1.00 0.00 O ATOM 914 CB ALA A 62 4.060 4.232 3.368 1.00 0.00 C ATOM 0 H ALA A 62 1.409 3.722 2.484 1.00 0.00 H new ATOM 0 HA ALA A 62 2.799 2.644 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.936 3.868 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.084 3.864 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.065 5.322 3.363 1.00 0.00 H new ATOM 920 N LYS A 63 2.306 3.279 6.385 1.00 0.00 N ATOM 921 CA LYS A 63 2.243 3.568 7.807 1.00 0.00 C ATOM 922 C LYS A 63 3.585 4.072 8.270 1.00 0.00 C ATOM 923 O LYS A 63 3.686 4.913 9.163 1.00 0.00 O ATOM 924 CB LYS A 63 1.866 2.316 8.594 1.00 0.00 C ATOM 925 CG LYS A 63 1.381 2.616 9.994 1.00 0.00 C ATOM 926 CD LYS A 63 1.348 1.363 10.853 1.00 0.00 C ATOM 927 CE LYS A 63 0.167 1.374 11.808 1.00 0.00 C ATOM 928 NZ LYS A 63 0.359 2.348 12.917 1.00 0.00 N ATOM 0 H LYS A 63 1.958 2.356 6.125 1.00 0.00 H new ATOM 0 HA LYS A 63 1.481 4.328 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.088 1.776 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.731 1.656 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.034 3.357 10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.384 3.054 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.291 0.483 10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.275 1.285 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.741 1.623 11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.026 0.376 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.469 2.325 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.212 2.096 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.468 3.305 12.524 1.00 0.00 H new ATOM 942 N SER A 64 4.616 3.551 7.634 1.00 0.00 N ATOM 943 CA SER A 64 5.973 3.942 7.947 1.00 0.00 C ATOM 944 C SER A 64 6.831 3.888 6.697 1.00 0.00 C ATOM 945 O SER A 64 7.189 2.812 6.226 1.00 0.00 O ATOM 946 CB SER A 64 6.559 3.039 9.029 1.00 0.00 C ATOM 947 OG SER A 64 5.678 2.919 10.132 1.00 0.00 O ATOM 0 H SER A 64 4.537 2.853 6.894 1.00 0.00 H new ATOM 0 HA SER A 64 5.960 4.964 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.760 2.052 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.514 3.443 9.366 1.00 0.00 H new ATOM 0 HG SER A 64 6.079 2.334 10.808 1.00 0.00 H new ATOM 953 N TYR A 65 7.142 5.053 6.157 1.00 0.00 N ATOM 954 CA TYR A 65 7.943 5.142 4.943 1.00 0.00 C ATOM 955 C TYR A 65 9.421 5.249 5.244 1.00 0.00 C ATOM 956 O TYR A 65 9.828 5.570 6.360 1.00 0.00 O ATOM 957 CB TYR A 65 7.532 6.357 4.121 1.00 0.00 C ATOM 958 CG TYR A 65 7.193 7.574 4.950 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.932 7.728 5.510 1.00 0.00 C ATOM 960 CD2 TYR A 65 8.136 8.572 5.168 1.00 0.00 C ATOM 961 CE1 TYR A 65 5.619 8.840 6.267 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.831 9.687 5.924 1.00 0.00 C ATOM 963 CZ TYR A 65 6.571 9.817 6.470 1.00 0.00 C ATOM 964 OH TYR A 65 6.262 10.927 7.224 1.00 0.00 O ATOM 0 H TYR A 65 6.853 5.954 6.539 1.00 0.00 H new ATOM 0 HA TYR A 65 7.763 4.224 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.342 6.610 3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.668 6.094 3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.184 6.966 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.122 8.474 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.634 8.944 6.698 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.575 10.453 6.087 1.00 0.00 H new ATOM 0 HH TYR A 65 7.042 11.518 7.271 1.00 0.00 H new ATOM 974 N ASN A 66 10.217 5.014 4.212 1.00 0.00 N ATOM 975 CA ASN A 66 11.661 5.118 4.322 1.00 0.00 C ATOM 976 C ASN A 66 12.164 5.858 3.109 1.00 0.00 C ATOM 977 O ASN A 66 13.280 5.668 2.624 1.00 0.00 O ATOM 978 CB ASN A 66 12.287 3.742 4.442 1.00 0.00 C ATOM 979 CG ASN A 66 13.800 3.772 4.360 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.418 2.895 3.759 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.407 4.784 4.970 1.00 0.00 N ATOM 0 H ASN A 66 9.884 4.749 3.285 1.00 0.00 H new ATOM 0 HA ASN A 66 11.940 5.666 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.989 3.294 5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.898 3.101 3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.424 4.855 4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.856 5.490 5.457 1.00 0.00 H new ATOM 988 N ARG A 67 11.267 6.695 2.647 1.00 0.00 N ATOM 989 CA ARG A 67 11.456 7.543 1.479 1.00 0.00 C ATOM 990 C ARG A 67 12.895 7.538 0.980 1.00 0.00 C ATOM 991 O ARG A 67 13.843 7.699 1.748 1.00 0.00 O ATOM 992 CB ARG A 67 11.000 8.962 1.801 1.00 0.00 C ATOM 993 CG ARG A 67 10.144 9.588 0.712 1.00 0.00 C ATOM 994 CD ARG A 67 10.785 10.847 0.148 1.00 0.00 C ATOM 995 NE ARG A 67 10.473 12.029 0.949 1.00 0.00 N ATOM 996 CZ ARG A 67 11.288 12.538 1.868 1.00 0.00 C ATOM 997 NH1 ARG A 67 12.456 11.962 2.122 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.934 13.628 2.535 1.00 0.00 N ATOM 0 H ARG A 67 10.353 6.814 3.083 1.00 0.00 H new ATOM 0 HA ARG A 67 10.848 7.137 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.436 8.951 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.877 9.588 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.991 8.867 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.161 9.829 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.866 10.714 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.441 11.002 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 67 9.577 12.491 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.733 11.124 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.077 12.357 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.037 14.075 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.558 14.020 3.240 1.00 0.00 H new ATOM 1012 N VAL A 68 13.029 7.351 -0.327 1.00 0.00 N ATOM 1013 CA VAL A 68 14.329 7.318 -0.983 1.00 0.00 C ATOM 1014 C VAL A 68 14.270 8.058 -2.309 1.00 0.00 C ATOM 1015 O VAL A 68 14.641 7.518 -3.349 1.00 0.00 O ATOM 1016 CB VAL A 68 14.783 5.873 -1.258 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.749 5.032 0.009 1.00 0.00 C ATOM 1018 CG2 VAL A 68 13.916 5.250 -2.345 1.00 0.00 C ATOM 0 H VAL A 68 12.241 7.218 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 68 15.041 7.798 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 68 15.816 5.900 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.075 4.017 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.415 5.468 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.733 5.007 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.245 4.228 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.875 5.242 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.006 5.834 -3.261 1.00 0.00 H new ATOM 1028 N THR A 69 13.783 9.290 -2.267 1.00 0.00 N ATOM 1029 CA THR A 69 13.651 10.100 -3.467 1.00 0.00 C ATOM 1030 C THR A 69 14.627 9.661 -4.548 1.00 0.00 C ATOM 1031 O THR A 69 15.844 9.711 -4.362 1.00 0.00 O ATOM 1032 CB THR A 69 13.865 11.576 -3.167 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.837 12.077 -2.332 1.00 0.00 O ATOM 1034 CG2 THR A 69 13.898 12.412 -4.426 1.00 0.00 C ATOM 0 H THR A 69 13.472 9.751 -1.412 1.00 0.00 H new ATOM 0 HA THR A 69 12.634 9.955 -3.831 1.00 0.00 H new ATOM 0 HB THR A 69 14.829 11.648 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.996 13.027 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.053 13.459 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.713 12.074 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.952 12.307 -4.957 1.00 0.00 H new ATOM 1042 N VAL A 70 14.082 9.228 -5.672 1.00 0.00 N ATOM 1043 CA VAL A 70 14.896 8.773 -6.792 1.00 0.00 C ATOM 1044 C VAL A 70 14.729 9.652 -8.022 1.00 0.00 C ATOM 1045 O VAL A 70 14.140 10.731 -7.966 1.00 0.00 O ATOM 1046 CB VAL A 70 14.555 7.327 -7.194 1.00 0.00 C ATOM 1047 CG1 VAL A 70 15.799 6.458 -7.152 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.460 6.759 -6.304 1.00 0.00 C ATOM 0 H VAL A 70 13.076 9.181 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 70 15.927 8.830 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 70 14.179 7.334 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.541 5.439 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.542 6.853 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.209 6.458 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.237 5.736 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.795 6.764 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.562 7.369 -6.398 1.00 0.00 H new ATOM 1058 N MET A 71 15.261 9.159 -9.132 1.00 0.00 N ATOM 1059 CA MET A 71 15.196 9.859 -10.411 1.00 0.00 C ATOM 1060 C MET A 71 15.175 11.366 -10.208 1.00 0.00 C ATOM 1061 O MET A 71 15.908 11.901 -9.378 1.00 0.00 O ATOM 1062 CB MET A 71 13.953 9.420 -11.189 1.00 0.00 C ATOM 1063 CG MET A 71 13.386 8.103 -10.712 1.00 0.00 C ATOM 1064 SD MET A 71 12.080 7.472 -11.784 1.00 0.00 S ATOM 1065 CE MET A 71 12.859 7.596 -13.393 1.00 0.00 C ATOM 0 H MET A 71 15.749 8.264 -9.173 1.00 0.00 H new ATOM 0 HA MET A 71 16.088 9.603 -10.983 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.187 10.191 -11.102 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.204 9.338 -12.246 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.188 7.368 -10.654 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.993 8.227 -9.703 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.390 8.397 -13.964 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.920 7.813 -13.268 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.742 6.653 -13.927 1.00 0.00 H new ATOM 1075 N GLY A 72 14.326 12.046 -10.969 1.00 0.00 N ATOM 1076 CA GLY A 72 14.220 13.481 -10.854 1.00 0.00 C ATOM 1077 C GLY A 72 13.544 13.915 -9.567 1.00 0.00 C ATOM 1078 O GLY A 72 13.127 15.066 -9.435 1.00 0.00 O ATOM 0 H GLY A 72 13.710 11.625 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.216 13.920 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.659 13.869 -11.704 1.00 0.00 H new ATOM 1082 N GLY A 73 13.429 12.990 -8.620 1.00 0.00 N ATOM 1083 CA GLY A 73 12.795 13.295 -7.353 1.00 0.00 C ATOM 1084 C GLY A 73 11.643 12.357 -7.058 1.00 0.00 C ATOM 1085 O GLY A 73 10.622 12.767 -6.506 1.00 0.00 O ATOM 0 H GLY A 73 13.765 12.031 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.532 13.228 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.432 14.323 -7.367 1.00 0.00 H new ATOM 1089 N PHE A 74 11.805 11.093 -7.438 1.00 0.00 N ATOM 1090 CA PHE A 74 10.770 10.090 -7.222 1.00 0.00 C ATOM 1091 C PHE A 74 10.714 9.667 -5.763 1.00 0.00 C ATOM 1092 O PHE A 74 11.681 9.136 -5.221 1.00 0.00 O ATOM 1093 CB PHE A 74 11.010 8.875 -8.117 1.00 0.00 C ATOM 1094 CG PHE A 74 10.427 9.034 -9.491 1.00 0.00 C ATOM 1095 CD1 PHE A 74 10.603 10.214 -10.196 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.697 8.011 -10.077 1.00 0.00 C ATOM 1097 CE1 PHE A 74 10.063 10.372 -11.459 1.00 0.00 C ATOM 1098 CE2 PHE A 74 9.157 8.162 -11.339 1.00 0.00 C ATOM 1099 CZ PHE A 74 9.339 9.344 -12.031 1.00 0.00 C ATOM 0 H PHE A 74 12.644 10.740 -7.897 1.00 0.00 H new ATOM 0 HA PHE A 74 9.810 10.535 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.082 8.699 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.578 7.992 -7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.169 11.020 -9.753 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.549 7.086 -9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.207 11.297 -11.997 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.593 7.356 -11.785 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.916 9.464 -13.017 1.00 0.00 H new ATOM 1109 N LYS A 75 9.572 9.911 -5.133 1.00 0.00 N ATOM 1110 CA LYS A 75 9.378 9.570 -3.733 1.00 0.00 C ATOM 1111 C LYS A 75 8.629 8.256 -3.581 1.00 0.00 C ATOM 1112 O LYS A 75 7.525 8.082 -4.097 1.00 0.00 O ATOM 1113 CB LYS A 75 8.617 10.684 -3.016 1.00 0.00 C ATOM 1114 CG LYS A 75 8.756 12.041 -3.683 1.00 0.00 C ATOM 1115 CD LYS A 75 8.507 13.172 -2.701 1.00 0.00 C ATOM 1116 CE LYS A 75 7.356 14.056 -3.152 1.00 0.00 C ATOM 1117 NZ LYS A 75 6.037 13.508 -2.735 1.00 0.00 N ATOM 0 H LYS A 75 8.762 10.347 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 75 10.363 9.456 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.561 10.419 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.975 10.755 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.756 12.139 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.051 12.115 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.286 12.759 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.411 13.773 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.482 15.055 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.380 14.157 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.279 14.141 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.905 12.565 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.003 13.435 -1.698 1.00 0.00 H new ATOM 1131 N VAL A 76 9.248 7.342 -2.858 1.00 0.00 N ATOM 1132 CA VAL A 76 8.675 6.026 -2.601 1.00 0.00 C ATOM 1133 C VAL A 76 8.450 5.839 -1.139 1.00 0.00 C ATOM 1134 O VAL A 76 8.216 4.725 -0.671 1.00 0.00 O ATOM 1135 CB VAL A 76 9.636 4.915 -3.052 1.00 0.00 C ATOM 1136 CG1 VAL A 76 9.799 4.938 -4.563 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.966 5.156 -2.358 1.00 0.00 C ATOM 0 H VAL A 76 10.163 7.487 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 76 7.737 5.968 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 76 9.245 3.933 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.483 4.145 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.829 4.782 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.202 5.903 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.676 4.384 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.353 6.134 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.824 5.123 -1.278 1.00 0.00 H new ATOM 1147 N GLU A 77 8.570 6.931 -0.425 1.00 0.00 N ATOM 1148 CA GLU A 77 8.440 6.894 1.026 1.00 0.00 C ATOM 1149 C GLU A 77 8.814 5.493 1.449 1.00 0.00 C ATOM 1150 O GLU A 77 8.149 4.868 2.269 1.00 0.00 O ATOM 1151 CB GLU A 77 7.011 7.226 1.458 1.00 0.00 C ATOM 1152 CG GLU A 77 6.076 7.514 0.299 1.00 0.00 C ATOM 1153 CD GLU A 77 6.176 8.946 -0.189 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.251 9.859 0.661 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.179 9.156 -1.420 1.00 0.00 O ATOM 0 H GLU A 77 8.756 7.855 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 77 9.087 7.636 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.613 6.392 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.033 8.092 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.304 6.837 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.050 7.309 0.605 1.00 0.00 H new ATOM 1162 N ASN A 78 9.858 4.997 0.784 1.00 0.00 N ATOM 1163 CA ASN A 78 10.325 3.640 0.947 1.00 0.00 C ATOM 1164 C ASN A 78 9.502 2.955 2.008 1.00 0.00 C ATOM 1165 O ASN A 78 9.951 2.694 3.124 1.00 0.00 O ATOM 1166 CB ASN A 78 11.813 3.536 1.223 1.00 0.00 C ATOM 1167 CG ASN A 78 12.229 2.102 1.041 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.152 1.560 -0.060 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.667 1.481 2.112 1.00 0.00 N ATOM 0 H ASN A 78 10.401 5.540 0.113 1.00 0.00 H new ATOM 0 HA ASN A 78 10.188 3.127 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.371 4.182 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.035 3.870 2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.713 1.973 3.004 1.00 0.00 H new ATOM 1174 N HIS A 79 8.260 2.727 1.631 1.00 0.00 N ATOM 1175 CA HIS A 79 7.274 2.136 2.497 1.00 0.00 C ATOM 1176 C HIS A 79 7.823 1.027 3.353 1.00 0.00 C ATOM 1177 O HIS A 79 8.321 0.010 2.876 1.00 0.00 O ATOM 1178 CB HIS A 79 6.086 1.670 1.686 1.00 0.00 C ATOM 1179 CG HIS A 79 5.467 2.820 0.993 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.383 2.749 0.164 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.842 4.114 1.024 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.136 3.986 -0.285 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.996 4.856 0.210 1.00 0.00 N ATOM 0 H HIS A 79 7.908 2.952 0.701 1.00 0.00 H new ATOM 0 HA HIS A 79 6.951 2.911 3.192 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.402 0.923 0.958 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.355 1.191 2.338 1.00 0.00 H new ATOM 0 HD1 HIS A 79 3.858 1.907 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.670 4.511 1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.336 4.239 -0.965 1.00 0.00 H new ATOM 1191 N THR A 80 7.708 1.255 4.637 1.00 0.00 N ATOM 1192 CA THR A 80 8.167 0.308 5.630 1.00 0.00 C ATOM 1193 C THR A 80 6.981 -0.281 6.389 1.00 0.00 C ATOM 1194 O THR A 80 7.145 -1.193 7.201 1.00 0.00 O ATOM 1195 CB THR A 80 9.147 0.997 6.576 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.481 1.485 7.726 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.864 2.164 5.922 1.00 0.00 C ATOM 0 H THR A 80 7.294 2.102 5.027 1.00 0.00 H new ATOM 0 HA THR A 80 8.684 -0.515 5.137 1.00 0.00 H new ATOM 0 HB THR A 80 9.880 0.238 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.128 1.922 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.549 2.618 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.426 1.808 5.058 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.133 2.905 5.599 1.00 0.00 H new ATOM 1205 N ALA A 81 5.781 0.237 6.112 1.00 0.00 N ATOM 1206 CA ALA A 81 4.574 -0.256 6.765 1.00 0.00 C ATOM 1207 C ALA A 81 3.327 0.337 6.137 1.00 0.00 C ATOM 1208 O ALA A 81 2.793 1.316 6.633 1.00 0.00 O ATOM 1209 CB ALA A 81 4.599 0.074 8.243 1.00 0.00 C ATOM 0 H ALA A 81 5.624 0.992 5.444 1.00 0.00 H new ATOM 0 HA ALA A 81 4.549 -1.338 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.691 -0.301 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.468 -0.394 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.656 1.155 8.374 1.00 0.00 H new ATOM 1215 N CYS A 82 2.860 -0.256 5.053 1.00 0.00 N ATOM 1216 CA CYS A 82 1.665 0.241 4.380 1.00 0.00 C ATOM 1217 C CYS A 82 0.399 -0.238 5.090 1.00 0.00 C ATOM 1218 O CYS A 82 0.232 -1.431 5.341 1.00 0.00 O ATOM 1219 CB CYS A 82 1.648 -0.207 2.916 1.00 0.00 C ATOM 1220 SG CYS A 82 2.268 1.045 1.743 1.00 0.00 S ATOM 0 H CYS A 82 3.283 -1.076 4.619 1.00 0.00 H new ATOM 0 HA CYS A 82 1.688 1.330 4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.250 -1.110 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.627 -0.472 2.641 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.489 0.702 5.414 1.00 0.00 N ATOM 1226 CA HIS A 83 -1.737 0.371 6.096 1.00 0.00 C ATOM 1227 C HIS A 83 -2.945 0.908 5.334 1.00 0.00 C ATOM 1228 O HIS A 83 -3.188 2.114 5.313 1.00 0.00 O ATOM 1229 CB HIS A 83 -1.742 0.934 7.514 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.664 2.428 7.567 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.644 3.215 8.137 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -0.713 3.282 7.120 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.299 4.486 8.037 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -1.132 4.553 7.425 1.00 0.00 N ATOM 0 H HIS A 83 -0.367 1.695 5.215 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.806 -0.716 6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.650 0.608 8.022 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.900 0.515 8.065 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.204 3.013 6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.874 5.327 8.395 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.623 5.411 7.213 1.00 0.00 H new ATOM 1243 N CYS A 84 -3.706 0.006 4.722 1.00 0.00 N ATOM 1244 CA CYS A 84 -4.896 0.401 3.971 1.00 0.00 C ATOM 1245 C CYS A 84 -6.106 0.490 4.892 1.00 0.00 C ATOM 1246 O CYS A 84 -6.663 -0.527 5.305 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.174 -0.582 2.827 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.524 -2.287 3.362 1.00 0.00 S ATOM 0 H CYS A 84 -3.523 -0.997 4.730 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.710 1.385 3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.022 -0.215 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.313 -0.594 2.159 1.00 0.00 H new ATOM 1253 N SER A 85 -6.500 1.719 5.210 1.00 0.00 N ATOM 1254 CA SER A 85 -7.638 1.968 6.088 1.00 0.00 C ATOM 1255 C SER A 85 -7.478 3.314 6.786 1.00 0.00 C ATOM 1256 O SER A 85 -6.709 4.164 6.339 1.00 0.00 O ATOM 1257 CB SER A 85 -7.772 0.851 7.128 1.00 0.00 C ATOM 1258 OG SER A 85 -8.685 1.207 8.150 1.00 0.00 O ATOM 0 H SER A 85 -6.043 2.565 4.869 1.00 0.00 H new ATOM 0 HA SER A 85 -8.543 1.987 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.107 -0.064 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.796 0.640 7.566 1.00 0.00 H new ATOM 0 HG SER A 85 -8.752 0.475 8.798 1.00 0.00 H new ATOM 1264 N THR A 86 -8.202 3.503 7.884 1.00 0.00 N ATOM 1265 CA THR A 86 -8.130 4.749 8.636 1.00 0.00 C ATOM 1266 C THR A 86 -7.911 5.928 7.695 1.00 0.00 C ATOM 1267 O THR A 86 -6.948 6.683 7.838 1.00 0.00 O ATOM 1268 CB THR A 86 -7.000 4.686 9.665 1.00 0.00 C ATOM 1269 OG1 THR A 86 -6.634 3.341 9.924 1.00 0.00 O ATOM 1270 CG2 THR A 86 -7.360 5.329 10.985 1.00 0.00 C ATOM 0 H THR A 86 -8.843 2.811 8.272 1.00 0.00 H new ATOM 0 HA THR A 86 -9.076 4.888 9.159 1.00 0.00 H new ATOM 0 HB THR A 86 -6.172 5.241 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.909 3.320 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.516 5.250 11.670 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.600 6.380 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.224 4.821 11.414 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.809 6.074 6.727 1.00 0.00 N ATOM 1279 CA CYS A 87 -8.720 7.152 5.751 1.00 0.00 C ATOM 1280 C CYS A 87 -9.262 8.462 6.318 1.00 0.00 C ATOM 1281 O CYS A 87 -9.548 9.399 5.573 1.00 0.00 O ATOM 1282 CB CYS A 87 -9.487 6.775 4.484 1.00 0.00 C ATOM 1283 SG CYS A 87 -8.872 7.584 2.972 1.00 0.00 S ATOM 0 H CYS A 87 -9.610 5.456 6.598 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.668 7.299 5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.437 5.694 4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.538 7.032 4.619 1.00 0.00 H new ATOM 1288 N TYR A 88 -9.401 8.523 7.640 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.908 9.720 8.299 1.00 0.00 C ATOM 1290 C TYR A 88 -9.839 9.576 9.816 1.00 0.00 C ATOM 1291 O TYR A 88 -9.183 8.673 10.335 1.00 0.00 O ATOM 1292 CB TYR A 88 -11.348 9.998 7.865 1.00 0.00 C ATOM 1293 CG TYR A 88 -11.517 11.291 7.096 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -10.596 12.327 7.221 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -12.597 11.474 6.243 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -10.750 13.505 6.517 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -12.756 12.650 5.535 1.00 0.00 C ATOM 1298 CZ TYR A 88 -11.831 13.662 5.675 1.00 0.00 C ATOM 1299 OH TYR A 88 -11.985 14.834 4.971 1.00 0.00 O ATOM 0 H TYR A 88 -9.170 7.758 8.274 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.280 10.560 8.003 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.697 9.171 7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.985 10.026 8.749 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.748 12.208 7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.325 10.684 6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.027 14.300 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.601 12.776 4.875 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.104 15.222 4.784 1.00 0.00 H new ATOM 1309 N TYR A 89 -10.520 10.474 10.521 1.00 0.00 N ATOM 1310 CA TYR A 89 -10.535 10.451 11.979 1.00 0.00 C ATOM 1311 C TYR A 89 -11.964 10.431 12.511 1.00 0.00 C ATOM 1312 O TYR A 89 -12.882 10.952 11.877 1.00 0.00 O ATOM 1313 CB TYR A 89 -9.791 11.666 12.537 1.00 0.00 C ATOM 1314 CG TYR A 89 -8.689 11.309 13.508 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -7.424 10.953 13.055 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -8.913 11.326 14.879 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -6.415 10.625 13.941 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -7.910 11.000 15.771 1.00 0.00 C ATOM 1319 CZ TYR A 89 -6.664 10.650 15.297 1.00 0.00 C ATOM 1320 OH TYR A 89 -5.661 10.324 16.183 1.00 0.00 O ATOM 0 H TYR A 89 -11.069 11.227 10.106 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.032 9.541 12.306 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.364 12.232 11.709 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -10.505 12.321 13.036 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.226 10.932 11.993 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.888 11.599 15.254 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.437 10.351 13.573 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.101 11.019 16.834 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.000 10.392 17.100 1.00 0.00 H new ATOM 1330 N HIS A 90 -12.143 9.833 13.685 1.00 0.00 N ATOM 1331 CA HIS A 90 -13.458 9.752 14.311 1.00 0.00 C ATOM 1332 C HIS A 90 -13.508 10.627 15.559 1.00 0.00 C ATOM 1333 O HIS A 90 -12.566 11.365 15.846 1.00 0.00 O ATOM 1334 CB HIS A 90 -13.790 8.302 14.664 1.00 0.00 C ATOM 1335 CG HIS A 90 -12.590 7.410 14.724 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -12.333 6.432 13.787 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -11.572 7.352 15.615 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -11.212 5.809 14.100 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -10.729 6.349 15.203 1.00 0.00 N ATOM 0 H HIS A 90 -11.393 9.397 14.222 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.202 10.116 13.603 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.298 8.279 15.628 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -14.489 7.908 13.926 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.446 7.977 16.487 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.766 4.995 13.547 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.869 6.067 15.673 1.00 0.00 H new ATOM 1348 N LYS A 91 -14.610 10.549 16.296 1.00 0.00 N ATOM 1349 CA LYS A 91 -14.770 11.346 17.507 1.00 0.00 C ATOM 1350 C LYS A 91 -14.491 12.817 17.219 1.00 0.00 C ATOM 1351 O LYS A 91 -15.401 13.574 16.880 1.00 0.00 O ATOM 1352 CB LYS A 91 -13.831 10.842 18.607 1.00 0.00 C ATOM 1353 CG LYS A 91 -13.739 11.777 19.803 1.00 0.00 C ATOM 1354 CD LYS A 91 -14.971 11.671 20.686 1.00 0.00 C ATOM 1355 CE LYS A 91 -14.752 10.709 21.844 1.00 0.00 C ATOM 1356 NZ LYS A 91 -15.238 11.273 23.134 1.00 0.00 N ATOM 0 H LYS A 91 -15.403 9.945 16.078 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.800 11.244 17.849 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.173 9.864 18.946 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.835 10.703 18.187 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.850 11.538 20.386 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -13.626 12.804 19.456 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.226 12.657 21.075 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.819 11.335 20.089 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.269 9.771 21.640 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.690 10.476 21.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.071 10.587 23.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.727 12.154 23.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.256 11.472 23.064 1.00 0.00 H new ATOM 1370 N SER A 92 -13.223 13.208 17.353 1.00 0.00 N ATOM 1371 CA SER A 92 -12.797 14.585 17.106 1.00 0.00 C ATOM 1372 C SER A 92 -13.986 15.508 16.857 1.00 0.00 C ATOM 1373 O SER A 92 -14.406 16.202 17.807 1.00 0.00 O ATOM 1374 CB SER A 92 -11.844 14.630 15.909 1.00 0.00 C ATOM 1375 OG SER A 92 -11.236 13.368 15.693 1.00 0.00 O ATOM 1376 OXT SER A 92 -14.488 15.530 15.713 1.00 0.00 O ATOM 0 H SER A 92 -12.467 12.583 17.634 1.00 0.00 H new ATOM 0 HA SER A 92 -12.282 14.938 17.999 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.391 14.931 15.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.075 15.383 16.081 1.00 0.00 H new ATOM 0 HG SER A 92 -11.907 12.733 15.367 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.930 0.066 2.063 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.393 -0.203 2.390 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.658 -1.701 2.446 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.658 -2.379 3.369 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.236 -2.008 2.970 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.184 -2.585 3.898 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.048 1.389 1.648 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.835 1.999 0.499 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.212 0.398 1.355 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.974 -1.927 2.936 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.815 -3.808 3.282 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.065 -0.593 2.991 1.00 0.00 O HETATM 1395 O6 NAG A 178 9.895 -2.065 3.601 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.205 1.815 2.792 1.00 0.00 O HETATM 0 HO6 NAG A 178 9.980 -1.143 3.281 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.148 -2.891 2.975 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.146 0.058 0.396 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.449 1.230 0.030 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.144 2.410 -0.237 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.476 2.794 0.879 1.00 0.00 H new HETATM 0 H62 NAG A 178 11.171 -3.671 3.806 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.442 -2.356 4.932 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.101 -2.422 1.971 1.00 0.00 H new HETATM 0 H4 NAG A 178 13.842 -2.046 4.391 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.556 -2.117 1.444 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.635 0.226 3.363 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.516 -4.520 4.433 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.376 -5.994 4.102 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.101 -6.786 5.363 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.160 -6.495 6.408 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.314 -4.995 6.628 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.473 -4.663 7.544 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.529 -6.558 1.923 1.00 0.00 C HETATM 1417 C8 NAG A 179 11.392 -6.442 0.920 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.281 -6.171 3.169 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.114 -8.172 5.055 1.00 0.00 O HETATM 1420 O4 NAG A 179 13.767 -7.098 7.652 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.562 -4.304 5.384 1.00 0.00 O HETATM 1422 O6 NAG A 179 15.582 -3.261 7.752 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.621 -6.998 1.564 1.00 0.00 O HETATM 0 HO6 NAG A 179 15.225 -2.786 6.973 1.00 0.00 H new HETATM 0 HO3 NAG A 179 13.587 -8.660 5.761 1.00 0.00 H new HETATM 0 HN2 NAG A 179 11.321 -5.999 3.469 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.551 -7.051 1.252 1.00 0.00 H new HETATM 0 H82 NAG A 179 11.079 -5.401 0.844 1.00 0.00 H new HETATM 0 H81 NAG A 179 11.730 -6.791 -0.056 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.338 -5.165 8.502 1.00 0.00 H new HETATM 0 H61 NAG A 179 16.400 -5.042 7.113 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.375 -4.673 7.078 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.109 -6.901 6.059 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.126 -6.500 5.758 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.303 -6.352 3.655 1.00 0.00 H new HETATM 1437 C1 BMA A 180 14.710 -7.895 8.271 1.00 0.00 C HETATM 1438 C2 BMA A 180 14.399 -7.976 9.755 1.00 0.00 C HETATM 1439 C3 BMA A 180 15.349 -8.939 10.444 1.00 0.00 C HETATM 1440 C4 BMA A 180 15.345 -10.282 9.737 1.00 0.00 C HETATM 1441 C5 BMA A 180 15.612 -10.106 8.249 1.00 0.00 C HETATM 1442 C6 BMA A 180 15.484 -11.397 7.483 1.00 0.00 C HETATM 1443 O2 BMA A 180 13.066 -8.434 9.927 1.00 0.00 O HETATM 1444 O3 BMA A 180 14.931 -9.122 11.809 1.00 0.00 O HETATM 1445 O4 BMA A 180 16.358 -11.103 10.299 1.00 0.00 O HETATM 1446 O5 BMA A 180 14.676 -9.186 7.655 1.00 0.00 O HETATM 1447 O6 BMA A 180 15.856 -11.180 6.111 1.00 0.00 O HETATM 0 HO4 BMA A 180 16.168 -12.043 10.096 1.00 0.00 H new HETATM 0 HO2 BMA A 180 12.995 -8.925 10.772 1.00 0.00 H new HETATM 0 H62 BMA A 180 16.122 -12.161 7.927 1.00 0.00 H new HETATM 0 H61 BMA A 180 14.460 -11.765 7.539 1.00 0.00 H new HETATM 0 H5 BMA A 180 16.634 -9.731 8.185 1.00 0.00 H new HETATM 0 H4 BMA A 180 14.367 -10.745 9.864 1.00 0.00 H new HETATM 0 H3 BMA A 180 16.357 -8.525 10.412 1.00 0.00 H new HETATM 0 H2 BMA A 180 14.517 -6.986 10.196 1.00 0.00 H new HETATM 1457 C1 MAN A 181 15.697 -8.444 12.761 1.00 0.00 C HETATM 1458 C2 MAN A 181 15.188 -8.820 14.144 1.00 0.00 C HETATM 1459 C3 MAN A 181 13.797 -8.256 14.377 1.00 0.00 C HETATM 1460 C4 MAN A 181 13.780 -6.762 14.108 1.00 0.00 C HETATM 1461 C5 MAN A 181 14.334 -6.462 12.721 1.00 0.00 C HETATM 1462 C6 MAN A 181 14.474 -4.975 12.465 1.00 0.00 C HETATM 1463 O2 MAN A 181 16.076 -8.279 15.140 1.00 0.00 O HETATM 1464 O3 MAN A 181 13.418 -8.493 15.725 1.00 0.00 O HETATM 1465 O4 MAN A 181 12.443 -6.289 14.190 1.00 0.00 O HETATM 1466 O5 MAN A 181 15.645 -7.035 12.556 1.00 0.00 O HETATM 1467 O6 MAN A 181 15.346 -4.370 13.409 1.00 0.00 O HETATM 0 HO6 MAN A 181 16.081 -4.984 13.616 1.00 0.00 H new HETATM 0 HO4 MAN A 181 12.447 -5.320 14.339 1.00 0.00 H new HETATM 0 HO3 MAN A 181 14.213 -8.471 16.297 1.00 0.00 H new HETATM 0 H62 MAN A 181 14.855 -4.811 11.457 1.00 0.00 H new HETATM 0 H61 MAN A 181 13.494 -4.501 12.516 1.00 0.00 H new HETATM 0 H5 MAN A 181 13.620 -6.894 12.020 1.00 0.00 H new HETATM 0 H4 MAN A 181 14.402 -6.263 14.851 1.00 0.00 H new HETATM 0 H3 MAN A 181 13.098 -8.745 13.699 1.00 0.00 H new HETATM 0 H2 MAN A 181 15.149 -9.907 14.214 1.00 0.00 H new HETATM 1478 C1 MAN A 182 15.801 -12.365 5.388 1.00 0.00 C HETATM 1479 C2 MAN A 182 16.418 -12.128 4.015 1.00 0.00 C HETATM 1480 C3 MAN A 182 15.531 -11.229 3.165 1.00 0.00 C HETATM 1481 C4 MAN A 182 14.113 -11.770 3.125 1.00 0.00 C HETATM 1482 C5 MAN A 182 13.589 -11.974 4.537 1.00 0.00 C HETATM 1483 C6 MAN A 182 12.215 -12.611 4.560 1.00 0.00 C HETATM 1484 O2 MAN A 182 16.560 -13.391 3.355 1.00 0.00 O HETATM 1485 O3 MAN A 182 16.050 -11.180 1.844 1.00 0.00 O HETATM 1486 O4 MAN A 182 13.277 -10.848 2.438 1.00 0.00 O HETATM 1487 O5 MAN A 182 14.462 -12.839 5.282 1.00 0.00 O HETATM 1488 O6 MAN A 182 12.235 -13.902 3.969 1.00 0.00 O HETATM 0 HO6 MAN A 182 11.335 -14.290 3.999 1.00 0.00 H new HETATM 0 HO4 MAN A 182 12.469 -11.307 2.128 1.00 0.00 H new HETATM 0 HO3 MAN A 182 16.563 -11.995 1.664 1.00 0.00 H new HETATM 0 H62 MAN A 182 11.863 -12.685 5.589 1.00 0.00 H new HETATM 0 H61 MAN A 182 11.508 -11.975 4.027 1.00 0.00 H new HETATM 0 H5 MAN A 182 13.539 -10.979 4.980 1.00 0.00 H new HETATM 0 H4 MAN A 182 14.112 -12.728 2.605 1.00 0.00 H new HETATM 0 H3 MAN A 182 15.516 -10.230 3.601 1.00 0.00 H new HETATM 0 H2 MAN A 182 17.385 -11.642 4.144 1.00 0.00 H new HETATM 1499 C1 NAG A 183 17.770 -14.045 3.514 1.00 0.00 C HETATM 1500 C2 NAG A 183 17.698 -15.377 2.769 1.00 0.00 C HETATM 1501 C3 NAG A 183 19.030 -16.096 2.842 1.00 0.00 C HETATM 1502 C4 NAG A 183 20.149 -15.184 2.373 1.00 0.00 C HETATM 1503 C5 NAG A 183 20.090 -13.844 3.091 1.00 0.00 C HETATM 1504 C6 NAG A 183 21.096 -12.851 2.549 1.00 0.00 C HETATM 1505 C7 NAG A 183 15.496 -16.333 2.785 1.00 0.00 C HETATM 1506 C8 NAG A 183 14.338 -16.819 3.641 1.00 0.00 C HETATM 1507 N2 NAG A 183 16.673 -16.199 3.383 1.00 0.00 N HETATM 1508 O3 NAG A 183 18.983 -17.246 2.010 1.00 0.00 O HETATM 1509 O4 NAG A 183 21.430 -15.799 2.640 1.00 0.00 O HETATM 1510 O5 NAG A 183 18.793 -13.239 2.946 1.00 0.00 O HETATM 1511 O6 NAG A 183 20.975 -11.591 3.193 1.00 0.00 O HETATM 1512 O7 NAG A 183 15.316 -16.083 1.593 1.00 0.00 O HETATM 0 HO6 NAG A 183 20.030 -11.406 3.375 1.00 0.00 H new HETATM 0 HO3 NAG A 183 19.846 -17.709 2.042 1.00 0.00 H new HETATM 0 HN2 NAG A 183 16.856 -16.671 4.269 1.00 0.00 H new HETATM 0 H83 NAG A 183 14.573 -17.803 4.047 1.00 0.00 H new HETATM 0 H82 NAG A 183 14.172 -16.119 4.460 1.00 0.00 H new HETATM 0 H81 NAG A 183 13.437 -16.884 3.031 1.00 0.00 H new HETATM 0 H62 NAG A 183 22.105 -13.239 2.690 1.00 0.00 H new HETATM 0 H61 NAG A 183 20.948 -12.729 1.476 1.00 0.00 H new HETATM 0 H5 NAG A 183 20.313 -14.064 4.135 1.00 0.00 H new HETATM 0 H4 NAG A 183 20.027 -15.023 1.302 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.221 -16.387 3.875 1.00 0.00 H new HETATM 0 H2 NAG A 183 17.459 -15.192 1.722 1.00 0.00 H new HETATM 1526 C1 NAG A 184 17.058 -9.128 15.624 1.00 0.00 C HETATM 1527 C2 NAG A 184 17.454 -8.681 17.031 1.00 0.00 C HETATM 1528 C3 NAG A 184 18.463 -9.646 17.625 1.00 0.00 C HETATM 1529 C4 NAG A 184 17.937 -11.065 17.560 1.00 0.00 C HETATM 1530 C5 NAG A 184 17.489 -11.405 16.146 1.00 0.00 C HETATM 1531 C6 NAG A 184 16.828 -12.765 16.057 1.00 0.00 C HETATM 1532 C7 NAG A 184 17.465 -6.348 17.625 1.00 0.00 C HETATM 1533 C8 NAG A 184 18.129 -4.985 17.520 1.00 0.00 C HETATM 1534 N2 NAG A 184 18.034 -7.356 16.972 1.00 0.00 N HETATM 1535 O3 NAG A 184 18.697 -9.295 18.981 1.00 0.00 O HETATM 1536 O4 NAG A 184 18.986 -11.974 17.951 1.00 0.00 O HETATM 1537 O5 NAG A 184 16.526 -10.449 15.667 1.00 0.00 O HETATM 1538 O6 NAG A 184 17.743 -13.805 16.367 1.00 0.00 O HETATM 1539 O7 NAG A 184 16.441 -6.481 18.294 1.00 0.00 O HETATM 0 HO6 NAG A 184 17.288 -14.671 16.303 1.00 0.00 H new HETATM 0 HO3 NAG A 184 19.458 -9.808 19.325 1.00 0.00 H new HETATM 0 HN2 NAG A 184 18.882 -7.196 16.428 1.00 0.00 H new HETATM 0 H83 NAG A 184 19.146 -5.045 17.909 1.00 0.00 H new HETATM 0 H82 NAG A 184 18.158 -4.674 16.476 1.00 0.00 H new HETATM 0 H81 NAG A 184 17.561 -4.258 18.100 1.00 0.00 H new HETATM 0 H62 NAG A 184 15.982 -12.806 16.743 1.00 0.00 H new HETATM 0 H61 NAG A 184 16.432 -12.914 15.053 1.00 0.00 H new HETATM 0 H5 NAG A 184 18.398 -11.394 15.544 1.00 0.00 H new HETATM 0 H4 NAG A 184 17.084 -11.156 18.232 1.00 0.00 H new HETATM 0 H3 NAG A 184 19.390 -9.587 17.055 1.00 0.00 H new HETATM 0 H2 NAG A 184 16.564 -8.667 17.660 1.00 0.00 H new HETATM 1553 C1 GAL A 185 18.872 -12.549 19.209 1.00 0.00 C HETATM 1554 C2 GAL A 185 17.689 -13.510 19.236 1.00 0.00 C HETATM 1555 C3 GAL A 185 17.629 -14.242 20.564 1.00 0.00 C HETATM 1556 C4 GAL A 185 18.967 -14.889 20.874 1.00 0.00 C HETATM 1557 C5 GAL A 185 20.090 -13.867 20.780 1.00 0.00 C HETATM 1558 C6 GAL A 185 21.457 -14.493 20.969 1.00 0.00 C HETATM 1559 O2 GAL A 185 16.486 -12.779 19.057 1.00 0.00 O HETATM 1560 O3 GAL A 185 16.629 -15.248 20.497 1.00 0.00 O HETATM 1561 O4 GAL A 185 19.204 -15.928 19.938 1.00 0.00 O HETATM 1562 O5 GAL A 185 20.101 -13.233 19.488 1.00 0.00 O HETATM 1563 O6 GAL A 185 21.695 -15.511 20.007 1.00 0.00 O HETATM 0 HO6 GAL A 185 22.584 -15.896 20.152 1.00 0.00 H new HETATM 0 HO4 GAL A 185 20.068 -15.782 19.499 1.00 0.00 H new HETATM 0 HO3 GAL A 185 17.050 -16.118 20.334 1.00 0.00 H new HETATM 0 HO2 GAL A 185 16.391 -12.124 19.780 1.00 0.00 H new HETATM 0 H62 GAL A 185 22.226 -13.725 20.887 1.00 0.00 H new HETATM 0 H61 GAL A 185 21.532 -14.913 21.972 1.00 0.00 H new HETATM 0 H5 GAL A 185 19.898 -13.147 21.575 1.00 0.00 H new HETATM 0 H4 GAL A 185 18.941 -15.289 21.888 1.00 0.00 H new HETATM 0 H3 GAL A 185 17.391 -13.527 21.351 1.00 0.00 H new HETATM 0 H2 GAL A 185 17.811 -14.238 18.434 1.00 0.00 H new HETATM 1575 C1 GAL A 186 21.518 -16.646 3.740 1.00 0.00 C HETATM 1576 C2 GAL A 186 21.080 -15.907 5.001 1.00 0.00 C HETATM 1577 C3 GAL A 186 21.053 -16.852 6.192 1.00 0.00 C HETATM 1578 C4 GAL A 186 20.245 -18.097 5.868 1.00 0.00 C HETATM 1579 C5 GAL A 186 20.736 -18.733 4.576 1.00 0.00 C HETATM 1580 C6 GAL A 186 19.893 -19.920 4.155 1.00 0.00 C HETATM 1581 O2 GAL A 186 21.995 -14.855 5.265 1.00 0.00 O HETATM 1582 O3 GAL A 186 20.464 -16.189 7.301 1.00 0.00 O HETATM 1583 O4 GAL A 186 18.878 -17.737 5.718 1.00 0.00 O HETATM 1584 O5 GAL A 186 20.694 -17.790 3.491 1.00 0.00 O HETATM 1585 O6 GAL A 186 18.541 -19.543 3.941 1.00 0.00 O HETATM 0 HO6 GAL A 186 18.503 -18.829 3.271 1.00 0.00 H new HETATM 0 HO4 GAL A 186 18.537 -18.091 4.870 1.00 0.00 H new HETATM 0 HO3 GAL A 186 19.518 -16.436 7.365 1.00 0.00 H new HETATM 0 HO2 GAL A 186 21.718 -14.376 6.073 1.00 0.00 H new HETATM 0 H62 GAL A 186 20.301 -20.353 3.242 1.00 0.00 H new HETATM 0 H61 GAL A 186 19.940 -20.693 4.922 1.00 0.00 H new HETATM 0 H5 GAL A 186 21.756 -19.059 4.782 1.00 0.00 H new HETATM 0 H4 GAL A 186 20.362 -18.814 6.680 1.00 0.00 H new HETATM 0 H3 GAL A 186 22.075 -17.148 6.429 1.00 0.00 H new HETATM 0 H2 GAL A 186 20.078 -15.508 4.844 1.00 0.00 H new