USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1036 hydrogens (94 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 136 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD22 : A 78 ASN ND2 : A 136 NAG C1 :(H bumps) USER MOD NoAdj-H: A 111 ASNHD22 : A 111 ASN ND2 : A 132 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= -0.348 K(o=-0.42,f=-2.7!) USER MOD Set 1.2: A 139 BMA O6 : rot 180:sc= -0.0764 USER MOD Set 2.1: A 132 NAG O3 : rot -10:sc= 0.585 USER MOD Set 2.2: A 133 NAG O6 : rot -32:sc= 0.383 USER MOD Set 3.1: A 42 SER OG : rot 90:sc= 0.654 USER MOD Set 3.2: A 43 GLN : amide:sc= -3.79 K(o=-3.1,f=-11!) USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= -1.53 USER MOD Set 4.2: A 53 MET CE :methyl 157:sc= -8.32! (180deg=-10.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1AALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 5 GLN : amide:sc= -5.29! C(o=-5.3!,f=-6!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.157 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -139:sc= -0.636 USER MOD Single : A 23 TYR OH : rot 66:sc= 0.215 USER MOD Single : A 25 SER OG : rot -122:sc= 0.0719 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -110:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.97! C(o=-3.7!,f=-3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -163:sc= 1.38 USER MOD Single : A 52 TYR OH : rot 150:sc= 0.0467 USER MOD Single : A 54 MET CE :methyl -122:sc= -1.25 (180deg=-2.97!) USER MOD Single : A 56 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 133:sc= -0.205 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 76 GLN :FLIP amide:sc= 0.388 F(o=-0.45,f=0.39) USER MOD Single : A 80 THR OG1 : rot 73:sc= -4.03! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 92 TYR OH : rot -33:sc= -2.73 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 167:sc= -0.827 (180deg=-1.28) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 143:sc= -2.74 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -60:sc= 0.16 USER MOD Single : A 114 GLN : amide:sc= -2.4 K(o=-2.4,f=-3!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -168:sc= 1.13 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 131 LYS NZ :NH3+ 154:sc= -0.0749 (180deg=-0.908) USER MOD Single : A 133 NAG O3 : rot -170:sc= 0 USER MOD Single : A 134 FUL O2 : rot 180:sc= 0 USER MOD Single : A 134 FUL O3 : rot -99:sc= 0.0585 USER MOD Single : A 134 FUL O4 : rot 150:sc= 0.049 USER MOD Single : A 135 BMA O2 : rot -23:sc= 0.0497 USER MOD Single : A 135 BMA O3 : rot 31:sc= 0.0648 USER MOD Single : A 135 BMA O4 : rot -151:sc= 0.872 USER MOD Single : A 135 BMA O6 : rot 180:sc= 0.775 USER MOD Single : A 136 NAG O3 : rot -76:sc= 0.0346 USER MOD Single : A 137 NAG O3 : rot 176:sc= 1.21 USER MOD Single : A 137 NAG O6 : rot -26:sc= 0.0419 USER MOD Single : A 138 FUC O2 : rot 180:sc= 0 USER MOD Single : A 138 FUC O3 : rot -99:sc= 0.119 USER MOD Single : A 138 FUC O4 : rot 150:sc= 0.0917 USER MOD Single : A 139 BMA O2 : rot 153:sc= 0.0662 USER MOD Single : A 139 BMA O3 : rot 180:sc= 0.0657 USER MOD Single : A 139 BMA O4 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1A -12.470 3.214 6.847 1.00 0.00 N ATOM 2 CA ALA A 1A -11.757 2.949 5.564 1.00 0.00 C ATOM 3 C ALA A 1A -11.211 4.255 4.981 1.00 0.00 C ATOM 4 O ALA A 1A -11.957 5.160 4.657 1.00 0.00 O ATOM 5 CB ALA A 1A -12.817 2.350 4.639 1.00 0.00 C ATOM 0 H1 ALA A 1A -12.836 2.320 7.232 1.00 0.00 H new ATOM 0 H2 ALA A 1A -11.811 3.641 7.529 1.00 0.00 H new ATOM 0 H3 ALA A 1A -13.262 3.867 6.676 1.00 0.00 H new ATOM 0 HA ALA A 1A -10.906 2.281 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 1A -12.370 2.126 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 1A -13.207 1.432 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 1A -13.630 3.064 4.507 1.00 0.00 H new ATOM 13 N MET A 1 -9.914 4.355 4.846 1.00 0.00 N ATOM 14 CA MET A 1 -9.304 5.597 4.282 1.00 0.00 C ATOM 15 C MET A 1 -9.393 5.564 2.748 1.00 0.00 C ATOM 16 O MET A 1 -10.322 5.004 2.195 1.00 0.00 O ATOM 17 CB MET A 1 -7.848 5.571 4.767 1.00 0.00 C ATOM 18 CG MET A 1 -7.822 5.612 6.297 1.00 0.00 C ATOM 19 SD MET A 1 -8.517 7.183 6.869 1.00 0.00 S ATOM 20 CE MET A 1 -8.218 6.934 8.636 1.00 0.00 C ATOM 0 H MET A 1 -9.248 3.627 5.103 1.00 0.00 H new ATOM 0 HA MET A 1 -9.810 6.508 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.349 4.671 4.408 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.302 6.422 4.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.395 4.779 6.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.799 5.502 6.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.577 7.800 9.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.747 6.043 8.973 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.149 6.809 8.810 1.00 0.00 H new ATOM 30 N HIS A 2 -8.446 6.154 2.053 1.00 0.00 N ATOM 31 CA HIS A 2 -8.495 6.147 0.558 1.00 0.00 C ATOM 32 C HIS A 2 -7.623 5.025 -0.003 1.00 0.00 C ATOM 33 O HIS A 2 -7.081 5.126 -1.088 1.00 0.00 O ATOM 34 CB HIS A 2 -7.964 7.516 0.129 1.00 0.00 C ATOM 35 CG HIS A 2 -8.871 8.595 0.653 1.00 0.00 C ATOM 36 ND1 HIS A 2 -8.613 9.266 1.838 1.00 0.00 N ATOM 37 CD2 HIS A 2 -10.038 9.129 0.165 1.00 0.00 C ATOM 38 CE1 HIS A 2 -9.604 10.159 2.022 1.00 0.00 C ATOM 39 NE2 HIS A 2 -10.499 10.116 1.031 1.00 0.00 N ATOM 0 H HIS A 2 -7.645 6.638 2.458 1.00 0.00 H new ATOM 0 HA HIS A 2 -9.504 5.972 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.953 7.661 0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -7.907 7.571 -0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -10.524 8.829 -0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -9.668 10.828 2.867 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -11.340 10.685 0.931 1.00 0.00 H new ATOM 47 N VAL A 3 -7.495 3.958 0.732 1.00 0.00 N ATOM 48 CA VAL A 3 -6.669 2.806 0.263 1.00 0.00 C ATOM 49 C VAL A 3 -7.513 1.526 0.300 1.00 0.00 C ATOM 50 O VAL A 3 -8.145 1.221 1.294 1.00 0.00 O ATOM 51 CB VAL A 3 -5.503 2.723 1.254 1.00 0.00 C ATOM 52 CG1 VAL A 3 -4.585 1.557 0.881 1.00 0.00 C ATOM 53 CG2 VAL A 3 -4.702 4.028 1.212 1.00 0.00 C ATOM 0 H VAL A 3 -7.930 3.831 1.646 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.313 2.928 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.899 2.565 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.758 1.504 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.150 0.625 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.192 1.710 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.873 3.969 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.313 4.184 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.350 4.861 1.483 1.00 0.00 H new ATOM 63 N ALA A 4 -7.534 0.783 -0.778 1.00 0.00 N ATOM 64 CA ALA A 4 -8.346 -0.475 -0.810 1.00 0.00 C ATOM 65 C ALA A 4 -7.438 -1.703 -0.719 1.00 0.00 C ATOM 66 O ALA A 4 -6.446 -1.803 -1.417 1.00 0.00 O ATOM 67 CB ALA A 4 -9.071 -0.448 -2.154 1.00 0.00 C ATOM 0 H ALA A 4 -7.025 0.992 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.040 -0.533 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.689 -1.341 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.703 0.438 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.339 -0.423 -2.962 1.00 0.00 H new ATOM 73 N GLN A 5 -7.769 -2.633 0.142 1.00 0.00 N ATOM 74 CA GLN A 5 -6.922 -3.855 0.288 1.00 0.00 C ATOM 75 C GLN A 5 -7.796 -5.123 0.361 1.00 0.00 C ATOM 76 O GLN A 5 -8.740 -5.165 1.124 1.00 0.00 O ATOM 77 CB GLN A 5 -6.185 -3.660 1.615 1.00 0.00 C ATOM 78 CG GLN A 5 -5.340 -2.381 1.560 1.00 0.00 C ATOM 79 CD GLN A 5 -6.025 -1.278 2.372 1.00 0.00 C ATOM 80 OE1 GLN A 5 -7.228 -1.289 2.539 1.00 0.00 O ATOM 81 NE2 GLN A 5 -5.304 -0.323 2.889 1.00 0.00 N ATOM 0 H GLN A 5 -8.588 -2.598 0.749 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.246 -3.982 -0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.902 -3.598 2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.546 -4.520 1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.344 -2.574 1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.214 -2.060 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.294 -0.314 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.750 0.415 3.434 1.00 0.00 H new ATOM 90 N PRO A 6 -7.449 -6.134 -0.414 1.00 0.00 N ATOM 91 CA PRO A 6 -8.220 -7.404 -0.379 1.00 0.00 C ATOM 92 C PRO A 6 -7.945 -8.140 0.930 1.00 0.00 C ATOM 93 O PRO A 6 -6.825 -8.178 1.400 1.00 0.00 O ATOM 94 CB PRO A 6 -7.682 -8.189 -1.572 1.00 0.00 C ATOM 95 CG PRO A 6 -6.310 -7.644 -1.805 1.00 0.00 C ATOM 96 CD PRO A 6 -6.332 -6.202 -1.373 1.00 0.00 C ATOM 0 HA PRO A 6 -9.299 -7.258 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.652 -9.258 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.314 -8.056 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.570 -8.206 -1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.035 -7.728 -2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.390 -5.910 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.491 -5.534 -2.220 1.00 0.00 H new ATOM 104 N ALA A 7 -8.950 -8.726 1.520 1.00 0.00 N ATOM 105 CA ALA A 7 -8.731 -9.467 2.795 1.00 0.00 C ATOM 106 C ALA A 7 -8.002 -10.768 2.505 1.00 0.00 C ATOM 107 O ALA A 7 -7.215 -11.233 3.311 1.00 0.00 O ATOM 108 CB ALA A 7 -10.125 -9.732 3.364 1.00 0.00 C ATOM 0 H ALA A 7 -9.910 -8.724 1.176 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.122 -8.907 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.037 -10.276 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.633 -8.784 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.701 -10.326 2.654 1.00 0.00 H new ATOM 114 N VAL A 8 -8.240 -11.358 1.358 1.00 0.00 N ATOM 115 CA VAL A 8 -7.539 -12.612 1.034 1.00 0.00 C ATOM 116 C VAL A 8 -7.350 -12.756 -0.469 1.00 0.00 C ATOM 117 O VAL A 8 -8.066 -12.175 -1.264 1.00 0.00 O ATOM 118 CB VAL A 8 -8.413 -13.734 1.618 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.622 -14.112 0.735 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.558 -14.972 1.820 1.00 0.00 C ATOM 0 H VAL A 8 -8.886 -11.019 0.646 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.535 -12.642 1.457 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.813 -13.354 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.188 -14.910 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.263 -13.240 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.269 -14.453 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.170 -15.773 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.145 -15.289 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.744 -14.744 2.509 1.00 0.00 H new ATOM 130 N VAL A 9 -6.398 -13.545 -0.844 1.00 0.00 N ATOM 131 CA VAL A 9 -6.130 -13.779 -2.281 1.00 0.00 C ATOM 132 C VAL A 9 -5.798 -15.252 -2.534 1.00 0.00 C ATOM 133 O VAL A 9 -5.054 -15.874 -1.800 1.00 0.00 O ATOM 134 CB VAL A 9 -4.964 -12.844 -2.610 1.00 0.00 C ATOM 135 CG1 VAL A 9 -4.225 -13.283 -3.883 1.00 0.00 C ATOM 136 CG2 VAL A 9 -5.520 -11.444 -2.834 1.00 0.00 C ATOM 0 H VAL A 9 -5.781 -14.048 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.990 -13.571 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.259 -12.869 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.404 -12.594 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.829 -14.289 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.917 -13.278 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.703 -10.762 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.229 -11.462 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.026 -11.105 -1.930 1.00 0.00 H new ATOM 146 N LEU A 10 -6.356 -15.797 -3.577 1.00 0.00 N ATOM 147 CA LEU A 10 -6.108 -17.220 -3.915 1.00 0.00 C ATOM 148 C LEU A 10 -5.015 -17.315 -4.987 1.00 0.00 C ATOM 149 O LEU A 10 -5.117 -16.713 -6.040 1.00 0.00 O ATOM 150 CB LEU A 10 -7.447 -17.720 -4.471 1.00 0.00 C ATOM 151 CG LEU A 10 -8.560 -17.687 -3.399 1.00 0.00 C ATOM 152 CD1 LEU A 10 -8.086 -18.312 -2.080 1.00 0.00 C ATOM 153 CD2 LEU A 10 -9.025 -16.247 -3.144 1.00 0.00 C ATOM 0 H LEU A 10 -6.982 -15.308 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.772 -17.806 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.741 -17.103 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.329 -18.738 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.395 -18.274 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.893 -18.273 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.802 -19.350 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.227 -17.758 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.809 -16.246 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.183 -15.649 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.414 -15.821 -4.069 1.00 0.00 H new ATOM 165 N ALA A 11 -3.973 -18.064 -4.727 1.00 0.00 N ATOM 166 CA ALA A 11 -2.872 -18.198 -5.730 1.00 0.00 C ATOM 167 C ALA A 11 -3.193 -19.320 -6.723 1.00 0.00 C ATOM 168 O ALA A 11 -3.886 -20.267 -6.403 1.00 0.00 O ATOM 169 CB ALA A 11 -1.623 -18.538 -4.912 1.00 0.00 C ATOM 0 H ALA A 11 -3.837 -18.589 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.735 -17.289 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.770 -18.652 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.423 -17.735 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.786 -19.469 -4.369 1.00 0.00 H new ATOM 175 N SER A 12 -2.697 -19.211 -7.929 1.00 0.00 N ATOM 176 CA SER A 12 -2.965 -20.260 -8.962 1.00 0.00 C ATOM 177 C SER A 12 -2.116 -21.507 -8.695 1.00 0.00 C ATOM 178 O SER A 12 -1.253 -21.508 -7.838 1.00 0.00 O ATOM 179 CB SER A 12 -2.573 -19.620 -10.293 1.00 0.00 C ATOM 180 OG SER A 12 -2.709 -20.580 -11.334 1.00 0.00 O ATOM 0 H SER A 12 -2.114 -18.436 -8.245 1.00 0.00 H new ATOM 0 HA SER A 12 -4.006 -20.582 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.206 -18.756 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.546 -19.259 -10.248 1.00 0.00 H new ATOM 0 HG SER A 12 -2.460 -20.172 -12.190 1.00 0.00 H new ATOM 186 N SER A 13 -2.358 -22.568 -9.427 1.00 0.00 N ATOM 187 CA SER A 13 -1.567 -23.825 -9.224 1.00 0.00 C ATOM 188 C SER A 13 -0.079 -23.552 -9.462 1.00 0.00 C ATOM 189 O SER A 13 0.779 -24.185 -8.877 1.00 0.00 O ATOM 190 CB SER A 13 -2.103 -24.812 -10.263 1.00 0.00 C ATOM 191 OG SER A 13 -1.823 -24.319 -11.567 1.00 0.00 O ATOM 0 H SER A 13 -3.069 -22.619 -10.157 1.00 0.00 H new ATOM 0 HA SER A 13 -1.665 -24.214 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.642 -25.790 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.177 -24.945 -10.135 1.00 0.00 H new ATOM 0 HG SER A 13 -2.164 -24.950 -12.235 1.00 0.00 H new ATOM 197 N ARG A 14 0.227 -22.599 -10.305 1.00 0.00 N ATOM 198 CA ARG A 14 1.659 -22.256 -10.578 1.00 0.00 C ATOM 199 C ARG A 14 2.346 -21.820 -9.281 1.00 0.00 C ATOM 200 O ARG A 14 3.545 -21.959 -9.124 1.00 0.00 O ATOM 201 CB ARG A 14 1.612 -21.093 -11.573 1.00 0.00 C ATOM 202 CG ARG A 14 3.034 -20.724 -12.000 1.00 0.00 C ATOM 203 CD ARG A 14 3.541 -21.737 -13.026 1.00 0.00 C ATOM 204 NE ARG A 14 4.376 -20.939 -13.976 1.00 0.00 N ATOM 205 CZ ARG A 14 3.830 -20.219 -14.937 1.00 0.00 C ATOM 206 NH1 ARG A 14 2.527 -20.146 -15.090 1.00 0.00 N ATOM 207 NH2 ARG A 14 4.604 -19.557 -15.753 1.00 0.00 N ATOM 0 H ARG A 14 -0.455 -22.041 -10.819 1.00 0.00 H new ATOM 0 HA ARG A 14 2.219 -23.104 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.020 -21.371 -12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.123 -20.232 -11.118 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.048 -19.721 -12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.693 -20.710 -11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.127 -22.523 -12.549 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.714 -22.225 -13.541 1.00 0.00 H new ATOM 0 HE ARG A 14 5.391 -20.952 -13.879 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.910 -20.654 -14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.133 -19.581 -15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.617 -19.601 -15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.196 -18.996 -16.501 1.00 0.00 H new ATOM 221 N GLY A 15 1.591 -21.281 -8.360 1.00 0.00 N ATOM 222 CA GLY A 15 2.180 -20.813 -7.073 1.00 0.00 C ATOM 223 C GLY A 15 2.411 -19.303 -7.146 1.00 0.00 C ATOM 224 O GLY A 15 3.230 -18.757 -6.430 1.00 0.00 O ATOM 0 H GLY A 15 0.584 -21.144 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.512 -21.051 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.121 -21.328 -6.881 1.00 0.00 H new ATOM 228 N ILE A 16 1.689 -18.624 -8.000 1.00 0.00 N ATOM 229 CA ILE A 16 1.831 -17.158 -8.124 1.00 0.00 C ATOM 230 C ILE A 16 0.592 -16.454 -7.587 1.00 0.00 C ATOM 231 O ILE A 16 -0.466 -16.484 -8.189 1.00 0.00 O ATOM 232 CB ILE A 16 2.067 -16.884 -9.629 1.00 0.00 C ATOM 233 CG1 ILE A 16 3.527 -17.172 -9.979 1.00 0.00 C ATOM 234 CG2 ILE A 16 1.755 -15.426 -9.992 1.00 0.00 C ATOM 235 CD1 ILE A 16 3.877 -18.642 -9.793 1.00 0.00 C ATOM 0 H ILE A 16 0.997 -19.039 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 16 2.663 -16.771 -7.535 1.00 0.00 H new ATOM 0 HB ILE A 16 1.400 -17.535 -10.193 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.716 -16.882 -11.012 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.178 -16.562 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.932 -15.270 -11.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.712 -15.209 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.399 -14.762 -9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.923 -18.803 -10.053 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.713 -18.926 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.245 -19.251 -10.439 1.00 0.00 H new ATOM 247 N ALA A 17 0.733 -15.799 -6.473 1.00 0.00 N ATOM 248 CA ALA A 17 -0.413 -15.050 -5.890 1.00 0.00 C ATOM 249 C ALA A 17 -0.250 -13.574 -6.228 1.00 0.00 C ATOM 250 O ALA A 17 0.721 -12.947 -5.846 1.00 0.00 O ATOM 251 CB ALA A 17 -0.333 -15.263 -4.383 1.00 0.00 C ATOM 0 H ALA A 17 1.599 -15.749 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.374 -15.387 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.153 -14.734 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.406 -16.328 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.617 -14.879 -4.011 1.00 0.00 H new ATOM 257 N SER A 18 -1.181 -13.022 -6.953 1.00 0.00 N ATOM 258 CA SER A 18 -1.068 -11.587 -7.334 1.00 0.00 C ATOM 259 C SER A 18 -2.307 -10.812 -6.880 1.00 0.00 C ATOM 260 O SER A 18 -3.421 -11.294 -6.960 1.00 0.00 O ATOM 261 CB SER A 18 -0.957 -11.584 -8.862 1.00 0.00 C ATOM 262 OG SER A 18 -2.203 -11.975 -9.425 1.00 0.00 O ATOM 0 H SER A 18 -2.013 -13.500 -7.298 1.00 0.00 H new ATOM 0 HA SER A 18 -0.210 -11.106 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.681 -10.591 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.170 -12.267 -9.182 1.00 0.00 H new ATOM 0 HG SER A 18 -2.045 -12.575 -10.184 1.00 0.00 H new ATOM 268 N PHE A 19 -2.107 -9.613 -6.405 1.00 0.00 N ATOM 269 CA PHE A 19 -3.250 -8.778 -5.938 1.00 0.00 C ATOM 270 C PHE A 19 -2.931 -7.301 -6.142 1.00 0.00 C ATOM 271 O PHE A 19 -1.794 -6.932 -6.370 1.00 0.00 O ATOM 272 CB PHE A 19 -3.419 -9.104 -4.453 1.00 0.00 C ATOM 273 CG PHE A 19 -2.142 -8.808 -3.694 1.00 0.00 C ATOM 274 CD1 PHE A 19 -1.102 -9.776 -3.657 1.00 0.00 C ATOM 275 CD2 PHE A 19 -1.984 -7.570 -3.010 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.095 -9.508 -2.940 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.784 -7.302 -2.292 1.00 0.00 C ATOM 278 CZ PHE A 19 0.254 -8.273 -2.257 1.00 0.00 C ATOM 0 H PHE A 19 -1.191 -9.172 -6.320 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.166 -8.985 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.239 -8.519 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.684 -10.154 -4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.222 -10.716 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.774 -6.834 -3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.885 -10.244 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.662 -6.362 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.164 -8.071 -1.711 1.00 0.00 H new ATOM 288 N VAL A 20 -3.925 -6.458 -6.072 1.00 0.00 N ATOM 289 CA VAL A 20 -3.675 -5.003 -6.273 1.00 0.00 C ATOM 290 C VAL A 20 -4.139 -4.190 -5.060 1.00 0.00 C ATOM 291 O VAL A 20 -5.320 -4.083 -4.786 1.00 0.00 O ATOM 292 CB VAL A 20 -4.474 -4.629 -7.527 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.380 -3.118 -7.797 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.900 -5.385 -8.729 1.00 0.00 C ATOM 0 H VAL A 20 -4.895 -6.712 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.613 -4.787 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.519 -4.897 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.953 -2.872 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.783 -2.570 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.337 -2.839 -7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.463 -5.124 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.854 -5.111 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.974 -6.458 -8.553 1.00 0.00 H new ATOM 304 N CYS A 21 -3.213 -3.578 -4.366 1.00 0.00 N ATOM 305 CA CYS A 21 -3.585 -2.724 -3.203 1.00 0.00 C ATOM 306 C CYS A 21 -3.551 -1.279 -3.687 1.00 0.00 C ATOM 307 O CYS A 21 -2.503 -0.732 -3.961 1.00 0.00 O ATOM 308 CB CYS A 21 -2.507 -2.976 -2.149 1.00 0.00 C ATOM 309 SG CYS A 21 -2.920 -2.072 -0.636 1.00 0.00 S ATOM 0 H CYS A 21 -2.213 -3.635 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.571 -2.936 -2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.431 -4.043 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.535 -2.655 -2.523 1.00 0.00 H new ATOM 314 N GLU A 22 -4.689 -0.674 -3.848 1.00 0.00 N ATOM 315 CA GLU A 22 -4.712 0.713 -4.388 1.00 0.00 C ATOM 316 C GLU A 22 -4.390 1.739 -3.314 1.00 0.00 C ATOM 317 O GLU A 22 -4.409 1.458 -2.132 1.00 0.00 O ATOM 318 CB GLU A 22 -6.120 0.929 -4.913 1.00 0.00 C ATOM 319 CG GLU A 22 -6.464 -0.160 -5.925 1.00 0.00 C ATOM 320 CD GLU A 22 -7.855 0.085 -6.534 1.00 0.00 C ATOM 321 OE1 GLU A 22 -8.491 1.062 -6.166 1.00 0.00 O ATOM 322 OE2 GLU A 22 -8.259 -0.713 -7.362 1.00 0.00 O ATOM 0 H GLU A 22 -5.602 -1.075 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.959 0.836 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.833 0.911 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.198 1.911 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.714 -0.179 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.441 -1.136 -5.439 1.00 0.00 H new ATOM 329 N TYR A 23 -4.090 2.931 -3.740 1.00 0.00 N ATOM 330 CA TYR A 23 -3.753 4.018 -2.788 1.00 0.00 C ATOM 331 C TYR A 23 -4.170 5.371 -3.382 1.00 0.00 C ATOM 332 O TYR A 23 -4.683 5.447 -4.482 1.00 0.00 O ATOM 333 CB TYR A 23 -2.228 3.927 -2.600 1.00 0.00 C ATOM 334 CG TYR A 23 -1.517 4.307 -3.881 1.00 0.00 C ATOM 335 CD1 TYR A 23 -1.331 3.340 -4.899 1.00 0.00 C ATOM 336 CD2 TYR A 23 -1.042 5.634 -4.063 1.00 0.00 C ATOM 337 CE1 TYR A 23 -0.671 3.696 -6.106 1.00 0.00 C ATOM 338 CE2 TYR A 23 -0.383 5.993 -5.268 1.00 0.00 C ATOM 339 CZ TYR A 23 -0.196 5.024 -6.291 1.00 0.00 C ATOM 340 OH TYR A 23 0.446 5.371 -7.462 1.00 0.00 O ATOM 0 H TYR A 23 -4.064 3.201 -4.723 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.271 3.924 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.914 4.588 -1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.950 2.914 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.691 2.332 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.182 6.369 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.530 2.959 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.024 7.002 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.184 5.311 -8.210 1.00 0.00 H new ATOM 350 N ALA A 24 -3.938 6.428 -2.662 1.00 0.00 N ATOM 351 CA ALA A 24 -4.295 7.789 -3.166 1.00 0.00 C ATOM 352 C ALA A 24 -3.087 8.722 -3.042 1.00 0.00 C ATOM 353 O ALA A 24 -2.483 8.826 -1.990 1.00 0.00 O ATOM 354 CB ALA A 24 -5.436 8.260 -2.263 1.00 0.00 C ATOM 0 H ALA A 24 -3.512 6.412 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.588 7.782 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.756 9.256 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.274 7.568 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.092 8.292 -1.229 1.00 0.00 H new ATOM 360 N SER A 25 -2.726 9.396 -4.107 1.00 0.00 N ATOM 361 CA SER A 25 -1.549 10.318 -4.048 1.00 0.00 C ATOM 362 C SER A 25 -1.986 11.784 -4.197 1.00 0.00 C ATOM 363 O SER A 25 -2.978 12.071 -4.838 1.00 0.00 O ATOM 364 CB SER A 25 -0.648 9.911 -5.210 1.00 0.00 C ATOM 365 OG SER A 25 0.379 10.881 -5.371 1.00 0.00 O ATOM 0 H SER A 25 -3.194 9.348 -5.012 1.00 0.00 H new ATOM 0 HA SER A 25 -1.036 10.242 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.211 8.930 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.232 9.828 -6.126 1.00 0.00 H new ATOM 0 HG SER A 25 0.338 11.253 -6.277 1.00 0.00 H new ATOM 371 N PRO A 26 -1.226 12.672 -3.589 1.00 0.00 N ATOM 372 CA PRO A 26 -1.547 14.123 -3.654 1.00 0.00 C ATOM 373 C PRO A 26 -1.326 14.681 -5.066 1.00 0.00 C ATOM 374 O PRO A 26 -1.846 15.726 -5.410 1.00 0.00 O ATOM 375 CB PRO A 26 -0.566 14.752 -2.665 1.00 0.00 C ATOM 376 CG PRO A 26 0.576 13.791 -2.596 1.00 0.00 C ATOM 377 CD PRO A 26 -0.006 12.419 -2.803 1.00 0.00 C ATOM 0 HA PRO A 26 -2.590 14.331 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.237 15.734 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.026 14.891 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.319 14.016 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.081 13.857 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.686 11.767 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.234 11.934 -1.854 1.00 0.00 H new ATOM 385 N GLY A 27 -0.559 13.998 -5.884 1.00 0.00 N ATOM 386 CA GLY A 27 -0.306 14.502 -7.268 1.00 0.00 C ATOM 387 C GLY A 27 0.447 13.445 -8.079 1.00 0.00 C ATOM 388 O GLY A 27 0.528 12.294 -7.692 1.00 0.00 O ATOM 0 H GLY A 27 -0.100 13.117 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.251 14.741 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.275 15.424 -7.228 1.00 0.00 H new ATOM 392 N LYS A 28 0.992 13.831 -9.206 1.00 0.00 N ATOM 393 CA LYS A 28 1.735 12.857 -10.060 1.00 0.00 C ATOM 394 C LYS A 28 3.234 12.887 -9.739 1.00 0.00 C ATOM 395 O LYS A 28 3.865 13.926 -9.767 1.00 0.00 O ATOM 396 CB LYS A 28 1.491 13.327 -11.495 1.00 0.00 C ATOM 397 CG LYS A 28 2.132 12.340 -12.473 1.00 0.00 C ATOM 398 CD LYS A 28 2.034 12.894 -13.896 1.00 0.00 C ATOM 399 CE LYS A 28 2.759 11.954 -14.862 1.00 0.00 C ATOM 400 NZ LYS A 28 2.687 12.634 -16.185 1.00 0.00 N ATOM 0 H LYS A 28 0.953 14.782 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 28 1.400 11.833 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.421 13.402 -11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.911 14.322 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.176 12.175 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.631 11.374 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.988 12.995 -14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.475 13.890 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.793 11.794 -14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.281 10.975 -14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.163 12.050 -16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.691 12.767 -16.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.156 13.560 -16.125 1.00 0.00 H new ATOM 414 N ALA A 29 3.802 11.746 -9.445 1.00 0.00 N ATOM 415 CA ALA A 29 5.261 11.680 -9.131 1.00 0.00 C ATOM 416 C ALA A 29 5.816 10.317 -9.554 1.00 0.00 C ATOM 417 O ALA A 29 5.086 9.345 -9.625 1.00 0.00 O ATOM 418 CB ALA A 29 5.350 11.848 -7.614 1.00 0.00 C ATOM 0 H ALA A 29 3.314 10.851 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 29 5.837 12.443 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.394 11.810 -7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.921 12.809 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.798 11.045 -7.126 1.00 0.00 H new ATOM 424 N THR A 30 7.094 10.233 -9.837 1.00 0.00 N ATOM 425 CA THR A 30 7.675 8.919 -10.258 1.00 0.00 C ATOM 426 C THR A 30 7.934 8.038 -9.053 1.00 0.00 C ATOM 427 O THR A 30 7.803 6.837 -9.114 1.00 0.00 O ATOM 428 CB THR A 30 9.041 9.216 -10.881 1.00 0.00 C ATOM 429 OG1 THR A 30 9.909 9.745 -9.891 1.00 0.00 O ATOM 430 CG2 THR A 30 8.922 10.212 -12.011 1.00 0.00 C ATOM 0 H THR A 30 7.754 11.009 -9.795 1.00 0.00 H new ATOM 0 HA THR A 30 6.987 8.420 -10.940 1.00 0.00 H new ATOM 0 HB THR A 30 9.441 8.283 -11.278 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.784 9.933 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.909 10.403 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.268 9.809 -12.784 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.503 11.144 -11.632 1.00 0.00 H new ATOM 438 N GLU A 31 8.369 8.628 -7.981 1.00 0.00 N ATOM 439 CA GLU A 31 8.740 7.819 -6.789 1.00 0.00 C ATOM 440 C GLU A 31 7.520 7.397 -5.971 1.00 0.00 C ATOM 441 O GLU A 31 6.879 8.200 -5.322 1.00 0.00 O ATOM 442 CB GLU A 31 9.622 8.743 -5.931 1.00 0.00 C ATOM 443 CG GLU A 31 10.771 9.369 -6.750 1.00 0.00 C ATOM 444 CD GLU A 31 12.047 8.541 -6.582 1.00 0.00 C ATOM 445 OE1 GLU A 31 11.937 7.339 -6.423 1.00 0.00 O ATOM 446 OE2 GLU A 31 13.117 9.128 -6.616 1.00 0.00 O ATOM 0 H GLU A 31 8.485 9.636 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 31 9.241 6.902 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.008 9.536 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.037 8.176 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.494 9.415 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.947 10.393 -6.421 1.00 0.00 H new ATOM 453 N VAL A 32 7.244 6.122 -5.960 1.00 0.00 N ATOM 454 CA VAL A 32 6.118 5.591 -5.142 1.00 0.00 C ATOM 455 C VAL A 32 6.654 4.389 -4.368 1.00 0.00 C ATOM 456 O VAL A 32 6.515 3.255 -4.785 1.00 0.00 O ATOM 457 CB VAL A 32 5.031 5.174 -6.135 1.00 0.00 C ATOM 458 CG1 VAL A 32 3.850 4.556 -5.374 1.00 0.00 C ATOM 459 CG2 VAL A 32 4.555 6.406 -6.909 1.00 0.00 C ATOM 0 H VAL A 32 7.757 5.417 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 32 5.711 6.312 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 32 5.434 4.439 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.076 4.259 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.191 3.681 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.443 5.289 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.780 6.113 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.151 7.140 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.395 6.843 -7.449 1.00 0.00 H new ATOM 469 N ARG A 33 7.306 4.642 -3.265 1.00 0.00 N ATOM 470 CA ARG A 33 7.908 3.529 -2.473 1.00 0.00 C ATOM 471 C ARG A 33 6.849 2.542 -2.008 1.00 0.00 C ATOM 472 O ARG A 33 5.932 2.889 -1.288 1.00 0.00 O ATOM 473 CB ARG A 33 8.579 4.194 -1.269 1.00 0.00 C ATOM 474 CG ARG A 33 9.472 3.173 -0.559 1.00 0.00 C ATOM 475 CD ARG A 33 10.219 3.848 0.597 1.00 0.00 C ATOM 476 NE ARG A 33 9.537 3.360 1.835 1.00 0.00 N ATOM 477 CZ ARG A 33 9.801 2.172 2.344 1.00 0.00 C ATOM 478 NH1 ARG A 33 10.650 1.349 1.772 1.00 0.00 N ATOM 479 NH2 ARG A 33 9.196 1.801 3.440 1.00 0.00 N ATOM 0 H ARG A 33 7.448 5.574 -2.877 1.00 0.00 H new ATOM 0 HA ARG A 33 8.616 2.960 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.172 5.048 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.824 4.574 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.867 2.349 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.185 2.747 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.275 3.578 0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.167 4.934 0.520 1.00 0.00 H new ATOM 0 HE ARG A 33 8.852 3.959 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.125 1.623 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.835 0.436 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.529 2.427 3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.390 0.885 3.845 1.00 0.00 H new ATOM 493 N VAL A 34 6.997 1.301 -2.392 1.00 0.00 N ATOM 494 CA VAL A 34 6.036 0.268 -1.953 1.00 0.00 C ATOM 495 C VAL A 34 6.797 -0.861 -1.262 1.00 0.00 C ATOM 496 O VAL A 34 7.800 -1.346 -1.755 1.00 0.00 O ATOM 497 CB VAL A 34 5.331 -0.242 -3.209 1.00 0.00 C ATOM 498 CG1 VAL A 34 4.525 0.893 -3.843 1.00 0.00 C ATOM 499 CG2 VAL A 34 6.356 -0.768 -4.220 1.00 0.00 C ATOM 0 H VAL A 34 7.749 0.965 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 34 5.307 0.665 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 34 4.661 -1.055 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.023 0.527 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.781 1.253 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.195 1.710 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.838 -1.128 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.039 0.035 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.921 -1.586 -3.773 1.00 0.00 H new ATOM 509 N THR A 35 6.331 -1.264 -0.121 1.00 0.00 N ATOM 510 CA THR A 35 7.012 -2.354 0.639 1.00 0.00 C ATOM 511 C THR A 35 6.030 -3.478 0.966 1.00 0.00 C ATOM 512 O THR A 35 4.950 -3.244 1.475 1.00 0.00 O ATOM 513 CB THR A 35 7.511 -1.696 1.930 1.00 0.00 C ATOM 514 OG1 THR A 35 8.335 -0.584 1.609 1.00 0.00 O ATOM 515 CG2 THR A 35 8.313 -2.712 2.752 1.00 0.00 C ATOM 0 H THR A 35 5.498 -0.884 0.328 1.00 0.00 H new ATOM 0 HA THR A 35 7.824 -2.799 0.064 1.00 0.00 H new ATOM 0 HB THR A 35 6.656 -1.356 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.265 -0.789 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.666 -2.240 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.677 -3.561 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.167 -3.058 2.170 1.00 0.00 H new ATOM 523 N VAL A 36 6.409 -4.698 0.698 1.00 0.00 N ATOM 524 CA VAL A 36 5.515 -5.845 1.015 1.00 0.00 C ATOM 525 C VAL A 36 6.057 -6.549 2.265 1.00 0.00 C ATOM 526 O VAL A 36 7.258 -6.682 2.414 1.00 0.00 O ATOM 527 CB VAL A 36 5.577 -6.755 -0.218 1.00 0.00 C ATOM 528 CG1 VAL A 36 4.730 -8.007 0.021 1.00 0.00 C ATOM 529 CG2 VAL A 36 5.036 -5.999 -1.438 1.00 0.00 C ATOM 0 H VAL A 36 7.301 -4.949 0.272 1.00 0.00 H new ATOM 0 HA VAL A 36 4.486 -5.553 1.224 1.00 0.00 H new ATOM 0 HB VAL A 36 6.611 -7.048 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.777 -8.651 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.114 -8.546 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.695 -7.717 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.080 -6.645 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.003 -5.705 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.641 -5.109 -1.612 1.00 0.00 H new ATOM 539 N LEU A 37 5.208 -6.971 3.185 1.00 0.00 N ATOM 540 CA LEU A 37 5.744 -7.636 4.414 1.00 0.00 C ATOM 541 C LEU A 37 5.121 -9.015 4.624 1.00 0.00 C ATOM 542 O LEU A 37 4.100 -9.348 4.057 1.00 0.00 O ATOM 543 CB LEU A 37 5.369 -6.717 5.580 1.00 0.00 C ATOM 544 CG LEU A 37 6.025 -5.349 5.402 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.256 -4.307 6.218 1.00 0.00 C ATOM 546 CD2 LEU A 37 7.470 -5.415 5.902 1.00 0.00 C ATOM 0 H LEU A 37 4.193 -6.884 3.136 1.00 0.00 H new ATOM 0 HA LEU A 37 6.820 -7.787 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.286 -6.606 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.689 -7.163 6.522 1.00 0.00 H new ATOM 0 HG LEU A 37 6.012 -5.071 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.723 -3.330 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.223 -4.263 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.274 -4.585 7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.943 -4.441 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.478 -5.690 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.020 -6.161 5.329 1.00 0.00 H new ATOM 558 N ARG A 38 5.736 -9.805 5.461 1.00 0.00 N ATOM 559 CA ARG A 38 5.205 -11.167 5.766 1.00 0.00 C ATOM 560 C ARG A 38 4.825 -11.231 7.246 1.00 0.00 C ATOM 561 O ARG A 38 5.650 -11.547 8.084 1.00 0.00 O ATOM 562 CB ARG A 38 6.364 -12.130 5.481 1.00 0.00 C ATOM 563 CG ARG A 38 6.112 -12.901 4.183 1.00 0.00 C ATOM 564 CD ARG A 38 7.401 -13.620 3.772 1.00 0.00 C ATOM 565 NE ARG A 38 7.224 -13.957 2.326 1.00 0.00 N ATOM 566 CZ ARG A 38 6.597 -15.051 1.943 1.00 0.00 C ATOM 567 NH1 ARG A 38 6.035 -15.865 2.807 1.00 0.00 N ATOM 568 NH2 ARG A 38 6.517 -15.322 0.669 1.00 0.00 N ATOM 0 H ARG A 38 6.596 -9.562 5.954 1.00 0.00 H new ATOM 0 HA ARG A 38 4.323 -11.415 5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.298 -11.573 5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.477 -12.829 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.307 -13.622 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.794 -12.218 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.272 -12.982 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.557 -14.519 4.369 1.00 0.00 H new ATOM 0 HE ARG A 38 7.598 -13.324 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.077 -15.658 3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.557 -16.704 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.936 -14.691 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.035 -16.165 0.356 1.00 0.00 H new ATOM 582 N GLN A 39 3.595 -10.930 7.580 1.00 0.00 N ATOM 583 CA GLN A 39 3.190 -10.972 9.014 1.00 0.00 C ATOM 584 C GLN A 39 2.589 -12.328 9.353 1.00 0.00 C ATOM 585 O GLN A 39 1.848 -12.910 8.583 1.00 0.00 O ATOM 586 CB GLN A 39 2.150 -9.877 9.178 1.00 0.00 C ATOM 587 CG GLN A 39 1.795 -9.709 10.656 1.00 0.00 C ATOM 588 CD GLN A 39 0.439 -9.016 10.750 1.00 0.00 C ATOM 589 OE1 GLN A 39 -0.607 -9.622 10.266 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 0.330 -7.921 11.265 1.00 0.00 N flip ATOM 0 H GLN A 39 2.861 -10.659 6.926 1.00 0.00 H new ATOM 0 HA GLN A 39 4.041 -10.822 9.679 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.533 -8.938 8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.256 -10.125 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.760 -10.680 11.150 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.558 -9.120 11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.153 -7.451 11.643 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.584 -7.472 11.320 1.00 0.00 H new ATOM 599 N ALA A 40 2.913 -12.824 10.505 1.00 0.00 N ATOM 600 CA ALA A 40 2.386 -14.144 10.944 1.00 0.00 C ATOM 601 C ALA A 40 2.278 -14.170 12.468 1.00 0.00 C ATOM 602 O ALA A 40 2.972 -13.443 13.155 1.00 0.00 O ATOM 603 CB ALA A 40 3.420 -15.166 10.455 1.00 0.00 C ATOM 0 H ALA A 40 3.531 -12.366 11.175 1.00 0.00 H new ATOM 0 HA ALA A 40 1.393 -14.356 10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.103 -16.169 10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.505 -15.107 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.388 -14.949 10.907 1.00 0.00 H new ATOM 609 N ASP A 41 1.403 -14.983 13.002 1.00 0.00 N ATOM 610 CA ASP A 41 1.257 -15.055 14.487 1.00 0.00 C ATOM 611 C ASP A 41 2.578 -15.460 15.139 1.00 0.00 C ATOM 612 O ASP A 41 2.980 -14.911 16.147 1.00 0.00 O ATOM 613 CB ASP A 41 0.184 -16.105 14.742 1.00 0.00 C ATOM 614 CG ASP A 41 -1.189 -15.567 14.328 1.00 0.00 C ATOM 615 OD1 ASP A 41 -1.377 -14.361 14.387 1.00 0.00 O ATOM 616 OD2 ASP A 41 -2.035 -16.369 13.969 1.00 0.00 O ATOM 0 H ASP A 41 0.784 -15.599 12.475 1.00 0.00 H new ATOM 0 HA ASP A 41 0.983 -14.090 14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.412 -17.012 14.182 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.174 -16.376 15.798 1.00 0.00 H new ATOM 621 N SER A 42 3.256 -16.425 14.565 1.00 0.00 N ATOM 622 CA SER A 42 4.555 -16.876 15.149 1.00 0.00 C ATOM 623 C SER A 42 5.639 -15.805 14.964 1.00 0.00 C ATOM 624 O SER A 42 6.390 -15.518 15.876 1.00 0.00 O ATOM 625 CB SER A 42 4.921 -18.145 14.374 1.00 0.00 C ATOM 626 OG SER A 42 5.133 -17.817 13.007 1.00 0.00 O ATOM 0 H SER A 42 2.966 -16.917 13.720 1.00 0.00 H new ATOM 0 HA SER A 42 4.475 -17.056 16.221 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.820 -18.595 14.795 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.123 -18.882 14.463 1.00 0.00 H new ATOM 0 HG SER A 42 6.076 -17.592 12.867 1.00 0.00 H new ATOM 632 N GLN A 43 5.720 -15.207 13.797 1.00 0.00 N ATOM 633 CA GLN A 43 6.760 -14.153 13.555 1.00 0.00 C ATOM 634 C GLN A 43 6.343 -13.218 12.412 1.00 0.00 C ATOM 635 O GLN A 43 5.514 -13.555 11.590 1.00 0.00 O ATOM 636 CB GLN A 43 8.028 -14.916 13.160 1.00 0.00 C ATOM 637 CG GLN A 43 8.756 -15.418 14.413 1.00 0.00 C ATOM 638 CD GLN A 43 8.474 -16.910 14.621 1.00 0.00 C ATOM 639 OE1 GLN A 43 7.591 -17.469 14.001 1.00 0.00 O ATOM 640 NE2 GLN A 43 9.196 -17.584 15.474 1.00 0.00 N ATOM 0 H GLN A 43 5.111 -15.403 13.002 1.00 0.00 H new ATOM 0 HA GLN A 43 6.904 -13.532 14.439 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.769 -15.759 12.519 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.687 -14.267 12.583 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.829 -15.253 14.311 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.428 -14.852 15.285 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.938 -17.117 15.996 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.019 -18.578 15.619 1.00 0.00 H new ATOM 649 N VAL A 44 6.940 -12.051 12.348 1.00 0.00 N ATOM 650 CA VAL A 44 6.618 -11.086 11.250 1.00 0.00 C ATOM 651 C VAL A 44 7.927 -10.597 10.619 1.00 0.00 C ATOM 652 O VAL A 44 8.842 -10.195 11.313 1.00 0.00 O ATOM 653 CB VAL A 44 5.887 -9.919 11.919 1.00 0.00 C ATOM 654 CG1 VAL A 44 5.489 -8.884 10.861 1.00 0.00 C ATOM 655 CG2 VAL A 44 4.627 -10.423 12.631 1.00 0.00 C ATOM 0 H VAL A 44 7.641 -11.725 13.014 1.00 0.00 H new ATOM 0 HA VAL A 44 6.008 -11.536 10.467 1.00 0.00 H new ATOM 0 HB VAL A 44 6.553 -9.461 12.650 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.969 -8.055 11.341 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.384 -8.511 10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.831 -9.349 10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.116 -9.584 13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.962 -10.892 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.906 -11.152 13.392 1.00 0.00 H new ATOM 665 N THR A 45 8.027 -10.640 9.315 1.00 0.00 N ATOM 666 CA THR A 45 9.290 -10.186 8.644 1.00 0.00 C ATOM 667 C THR A 45 8.991 -9.394 7.364 1.00 0.00 C ATOM 668 O THR A 45 7.895 -9.428 6.842 1.00 0.00 O ATOM 669 CB THR A 45 10.045 -11.475 8.309 1.00 0.00 C ATOM 670 OG1 THR A 45 9.250 -12.276 7.445 1.00 0.00 O ATOM 671 CG2 THR A 45 10.345 -12.249 9.595 1.00 0.00 C ATOM 0 H THR A 45 7.294 -10.968 8.685 1.00 0.00 H new ATOM 0 HA THR A 45 9.866 -9.520 9.286 1.00 0.00 H new ATOM 0 HB THR A 45 10.984 -11.226 7.815 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.732 -13.101 7.228 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.882 -13.165 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.957 -11.634 10.255 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.410 -12.499 10.096 1.00 0.00 H new ATOM 679 N GLU A 46 9.982 -8.704 6.843 1.00 0.00 N ATOM 680 CA GLU A 46 9.779 -7.908 5.593 1.00 0.00 C ATOM 681 C GLU A 46 9.871 -8.827 4.371 1.00 0.00 C ATOM 682 O GLU A 46 10.399 -9.920 4.441 1.00 0.00 O ATOM 683 CB GLU A 46 10.926 -6.892 5.569 1.00 0.00 C ATOM 684 CG GLU A 46 10.679 -5.809 6.624 1.00 0.00 C ATOM 685 CD GLU A 46 11.965 -5.010 6.850 1.00 0.00 C ATOM 686 OE1 GLU A 46 13.032 -5.590 6.729 1.00 0.00 O ATOM 687 OE2 GLU A 46 11.860 -3.830 7.140 1.00 0.00 O ATOM 0 H GLU A 46 10.923 -8.660 7.233 1.00 0.00 H new ATOM 0 HA GLU A 46 8.803 -7.423 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.874 -7.394 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.003 -6.439 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.879 -5.145 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.353 -6.265 7.559 1.00 0.00 H new ATOM 694 N VAL A 47 9.337 -8.391 3.256 1.00 0.00 N ATOM 695 CA VAL A 47 9.372 -9.240 2.031 1.00 0.00 C ATOM 696 C VAL A 47 10.046 -8.487 0.868 1.00 0.00 C ATOM 697 O VAL A 47 11.231 -8.635 0.646 1.00 0.00 O ATOM 698 CB VAL A 47 7.900 -9.563 1.732 1.00 0.00 C ATOM 699 CG1 VAL A 47 7.804 -10.458 0.503 1.00 0.00 C ATOM 700 CG2 VAL A 47 7.284 -10.287 2.930 1.00 0.00 C ATOM 0 H VAL A 47 8.880 -7.486 3.144 1.00 0.00 H new ATOM 0 HA VAL A 47 9.956 -10.150 2.168 1.00 0.00 H new ATOM 0 HB VAL A 47 7.362 -8.634 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.757 -10.683 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.241 -9.946 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.345 -11.386 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.240 -10.517 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.829 -11.213 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.344 -9.648 3.811 1.00 0.00 H new ATOM 710 N CYS A 48 9.313 -7.688 0.124 1.00 0.00 N ATOM 711 CA CYS A 48 9.924 -6.943 -1.026 1.00 0.00 C ATOM 712 C CYS A 48 9.794 -5.433 -0.804 1.00 0.00 C ATOM 713 O CYS A 48 8.895 -4.980 -0.119 1.00 0.00 O ATOM 714 CB CYS A 48 9.114 -7.392 -2.244 1.00 0.00 C ATOM 715 SG CYS A 48 9.933 -6.867 -3.767 1.00 0.00 S ATOM 0 H CYS A 48 8.317 -7.520 0.264 1.00 0.00 H new ATOM 0 HA CYS A 48 10.988 -7.147 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.004 -8.476 -2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.110 -6.970 -2.198 1.00 0.00 H new ATOM 720 N ALA A 49 10.692 -4.650 -1.361 1.00 0.00 N ATOM 721 CA ALA A 49 10.616 -3.165 -1.152 1.00 0.00 C ATOM 722 C ALA A 49 11.546 -2.383 -2.102 1.00 0.00 C ATOM 723 O ALA A 49 12.731 -2.641 -2.187 1.00 0.00 O ATOM 724 CB ALA A 49 11.058 -2.964 0.299 1.00 0.00 C ATOM 0 H ALA A 49 11.465 -4.970 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 49 9.613 -2.792 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.034 -1.902 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.383 -3.504 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.072 -3.342 0.426 1.00 0.00 H new ATOM 730 N ALA A 50 11.005 -1.404 -2.786 1.00 0.00 N ATOM 731 CA ALA A 50 11.821 -0.547 -3.711 1.00 0.00 C ATOM 732 C ALA A 50 10.948 0.617 -4.197 1.00 0.00 C ATOM 733 O ALA A 50 9.736 0.552 -4.104 1.00 0.00 O ATOM 734 CB ALA A 50 12.228 -1.447 -4.882 1.00 0.00 C ATOM 0 H ALA A 50 10.016 -1.157 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 50 12.704 -0.131 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.827 -0.874 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.813 -2.287 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.334 -1.821 -5.381 1.00 0.00 H new ATOM 740 N THR A 51 11.534 1.682 -4.707 1.00 0.00 N ATOM 741 CA THR A 51 10.687 2.824 -5.178 1.00 0.00 C ATOM 742 C THR A 51 10.190 2.543 -6.589 1.00 0.00 C ATOM 743 O THR A 51 10.970 2.377 -7.506 1.00 0.00 O ATOM 744 CB THR A 51 11.577 4.073 -5.174 1.00 0.00 C ATOM 745 OG1 THR A 51 12.413 4.058 -4.024 1.00 0.00 O ATOM 746 CG2 THR A 51 10.679 5.309 -5.117 1.00 0.00 C ATOM 0 H THR A 51 12.541 1.806 -4.814 1.00 0.00 H new ATOM 0 HA THR A 51 9.820 2.964 -4.533 1.00 0.00 H new ATOM 0 HB THR A 51 12.194 4.091 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.774 4.956 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.296 6.207 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.023 5.323 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.076 5.279 -4.209 1.00 0.00 H new ATOM 754 N TYR A 52 8.899 2.489 -6.775 1.00 0.00 N ATOM 755 CA TYR A 52 8.369 2.221 -8.132 1.00 0.00 C ATOM 756 C TYR A 52 8.426 3.498 -8.953 1.00 0.00 C ATOM 757 O TYR A 52 7.675 4.425 -8.712 1.00 0.00 O ATOM 758 CB TYR A 52 6.919 1.800 -7.928 1.00 0.00 C ATOM 759 CG TYR A 52 6.401 1.230 -9.218 1.00 0.00 C ATOM 760 CD1 TYR A 52 6.127 2.081 -10.324 1.00 0.00 C ATOM 761 CD2 TYR A 52 6.201 -0.166 -9.328 1.00 0.00 C ATOM 762 CE1 TYR A 52 5.650 1.526 -11.542 1.00 0.00 C ATOM 763 CE2 TYR A 52 5.724 -0.722 -10.541 1.00 0.00 C ATOM 764 CZ TYR A 52 5.448 0.123 -11.651 1.00 0.00 C ATOM 765 OH TYR A 52 4.985 -0.418 -12.833 1.00 0.00 O ATOM 0 H TYR A 52 8.196 2.619 -6.047 1.00 0.00 H new ATOM 0 HA TYR A 52 8.941 1.455 -8.656 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.848 1.059 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.316 2.655 -7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.281 3.147 -10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.412 -0.809 -8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.441 2.169 -12.384 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.570 -1.788 -10.623 1.00 0.00 H new ATOM 0 HH TYR A 52 5.335 -1.328 -12.936 1.00 0.00 H new ATOM 775 N MET A 53 9.301 3.552 -9.923 1.00 0.00 N ATOM 776 CA MET A 53 9.392 4.772 -10.771 1.00 0.00 C ATOM 777 C MET A 53 8.346 4.646 -11.879 1.00 0.00 C ATOM 778 O MET A 53 8.165 3.578 -12.434 1.00 0.00 O ATOM 779 CB MET A 53 10.802 4.773 -11.372 1.00 0.00 C ATOM 780 CG MET A 53 11.844 4.707 -10.256 1.00 0.00 C ATOM 781 SD MET A 53 11.094 5.286 -8.720 1.00 0.00 S ATOM 782 CE MET A 53 11.263 7.051 -9.061 1.00 0.00 C ATOM 0 H MET A 53 9.954 2.805 -10.162 1.00 0.00 H new ATOM 0 HA MET A 53 9.214 5.691 -10.213 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.921 3.922 -12.043 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.952 5.673 -11.968 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.205 3.685 -10.137 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.707 5.323 -10.509 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.531 7.607 -8.475 1.00 0.00 H new ATOM 0 HE2 MET A 53 12.267 7.379 -8.792 1.00 0.00 H new ATOM 0 HE3 MET A 53 11.094 7.234 -10.122 1.00 0.00 H new ATOM 792 N MET A 54 7.651 5.704 -12.205 1.00 0.00 N ATOM 793 CA MET A 54 6.615 5.606 -13.282 1.00 0.00 C ATOM 794 C MET A 54 7.240 5.131 -14.603 1.00 0.00 C ATOM 795 O MET A 54 6.551 4.644 -15.479 1.00 0.00 O ATOM 796 CB MET A 54 6.036 7.014 -13.428 1.00 0.00 C ATOM 797 CG MET A 54 5.167 7.337 -12.211 1.00 0.00 C ATOM 798 SD MET A 54 3.608 6.424 -12.326 1.00 0.00 S ATOM 799 CE MET A 54 4.060 5.061 -11.225 1.00 0.00 C ATOM 0 H MET A 54 7.752 6.625 -11.778 1.00 0.00 H new ATOM 0 HA MET A 54 5.843 4.880 -13.029 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.842 7.743 -13.517 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.443 7.082 -14.340 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.692 7.068 -11.294 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.971 8.408 -12.164 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.973 4.116 -11.761 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.088 5.192 -10.886 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.392 5.053 -10.363 1.00 0.00 H new ATOM 809 N GLY A 55 8.537 5.270 -14.752 1.00 0.00 N ATOM 810 CA GLY A 55 9.202 4.826 -16.015 1.00 0.00 C ATOM 811 C GLY A 55 9.745 3.402 -15.849 1.00 0.00 C ATOM 812 O GLY A 55 9.044 2.433 -16.069 1.00 0.00 O ATOM 0 H GLY A 55 9.162 5.672 -14.053 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.491 4.859 -16.841 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.015 5.507 -16.267 1.00 0.00 H new ATOM 816 N ASN A 56 10.992 3.273 -15.463 1.00 0.00 N ATOM 817 CA ASN A 56 11.595 1.913 -15.291 1.00 0.00 C ATOM 818 C ASN A 56 11.183 1.312 -13.942 1.00 0.00 C ATOM 819 O ASN A 56 10.704 2.002 -13.066 1.00 0.00 O ATOM 820 CB ASN A 56 13.108 2.142 -15.332 1.00 0.00 C ATOM 821 CG ASN A 56 13.510 2.663 -16.714 1.00 0.00 C ATOM 822 OD1 ASN A 56 14.245 3.625 -16.822 1.00 0.00 O ATOM 823 ND2 ASN A 56 13.058 2.067 -17.784 1.00 0.00 N ATOM 0 H ASN A 56 11.619 4.052 -15.259 1.00 0.00 H new ATOM 0 HA ASN A 56 11.264 1.218 -16.062 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.399 2.858 -14.563 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.633 1.212 -15.116 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.322 2.409 -18.708 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.441 1.260 -17.696 1.00 0.00 H new ATOM 830 N GLU A 57 11.359 0.024 -13.778 1.00 0.00 N ATOM 831 CA GLU A 57 10.973 -0.633 -12.492 1.00 0.00 C ATOM 832 C GLU A 57 12.215 -1.076 -11.713 1.00 0.00 C ATOM 833 O GLU A 57 13.092 -1.730 -12.246 1.00 0.00 O ATOM 834 CB GLU A 57 10.141 -1.848 -12.904 1.00 0.00 C ATOM 835 CG GLU A 57 9.601 -2.551 -11.652 1.00 0.00 C ATOM 836 CD GLU A 57 8.566 -1.666 -10.941 1.00 0.00 C ATOM 837 OE1 GLU A 57 8.301 -0.573 -11.421 1.00 0.00 O ATOM 838 OE2 GLU A 57 8.052 -2.101 -9.924 1.00 0.00 O ATOM 0 H GLU A 57 11.754 -0.601 -14.481 1.00 0.00 H new ATOM 0 HA GLU A 57 10.421 0.044 -11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.315 -1.536 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.751 -2.538 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.146 -3.502 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.422 -2.778 -10.972 1.00 0.00 H new ATOM 845 N LEU A 58 12.290 -0.731 -10.450 1.00 0.00 N ATOM 846 CA LEU A 58 13.467 -1.138 -9.624 1.00 0.00 C ATOM 847 C LEU A 58 13.368 -2.614 -9.244 1.00 0.00 C ATOM 848 O LEU A 58 12.346 -3.248 -9.427 1.00 0.00 O ATOM 849 CB LEU A 58 13.413 -0.283 -8.357 1.00 0.00 C ATOM 850 CG LEU A 58 13.719 1.179 -8.680 1.00 0.00 C ATOM 851 CD1 LEU A 58 13.641 1.995 -7.389 1.00 0.00 C ATOM 852 CD2 LEU A 58 15.129 1.299 -9.268 1.00 0.00 C ATOM 0 H LEU A 58 11.585 -0.184 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 58 14.398 -0.996 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.426 -0.361 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 14.132 -0.658 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 58 12.996 1.552 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.858 3.041 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.640 1.912 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.370 1.614 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.340 2.344 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.857 0.931 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.194 0.708 -10.182 1.00 0.00 H new ATOM 864 N THR A 59 14.426 -3.155 -8.705 1.00 0.00 N ATOM 865 CA THR A 59 14.429 -4.573 -8.290 1.00 0.00 C ATOM 866 C THR A 59 14.117 -4.668 -6.796 1.00 0.00 C ATOM 867 O THR A 59 14.199 -3.690 -6.077 1.00 0.00 O ATOM 868 CB THR A 59 15.852 -5.043 -8.575 1.00 0.00 C ATOM 869 OG1 THR A 59 16.776 -4.266 -7.814 1.00 0.00 O ATOM 870 CG2 THR A 59 16.156 -4.921 -10.074 1.00 0.00 C ATOM 0 H THR A 59 15.301 -2.659 -8.535 1.00 0.00 H new ATOM 0 HA THR A 59 13.685 -5.176 -8.811 1.00 0.00 H new ATOM 0 HB THR A 59 15.950 -6.090 -8.287 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.689 -4.571 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.174 -5.259 -10.267 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.456 -5.537 -10.639 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.054 -3.880 -10.382 1.00 0.00 H new ATOM 878 N PHE A 60 13.770 -5.836 -6.324 1.00 0.00 N ATOM 879 CA PHE A 60 13.459 -5.994 -4.874 1.00 0.00 C ATOM 880 C PHE A 60 14.469 -6.938 -4.216 1.00 0.00 C ATOM 881 O PHE A 60 14.291 -8.141 -4.199 1.00 0.00 O ATOM 882 CB PHE A 60 12.059 -6.597 -4.825 1.00 0.00 C ATOM 883 CG PHE A 60 11.047 -5.623 -5.387 1.00 0.00 C ATOM 884 CD1 PHE A 60 10.885 -4.344 -4.792 1.00 0.00 C ATOM 885 CD2 PHE A 60 10.239 -5.997 -6.492 1.00 0.00 C ATOM 886 CE1 PHE A 60 9.912 -3.440 -5.301 1.00 0.00 C ATOM 887 CE2 PHE A 60 9.270 -5.094 -7.006 1.00 0.00 C ATOM 888 CZ PHE A 60 9.104 -3.816 -6.409 1.00 0.00 C ATOM 0 H PHE A 60 13.689 -6.687 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 60 13.511 -5.045 -4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.036 -7.526 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.800 -6.848 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.501 -4.057 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.361 -6.971 -6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.787 -2.468 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.660 -5.379 -7.850 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.365 -3.130 -6.796 1.00 0.00 H new ATOM 898 N LEU A 61 15.523 -6.392 -3.668 1.00 0.00 N ATOM 899 CA LEU A 61 16.558 -7.242 -3.005 1.00 0.00 C ATOM 900 C LEU A 61 15.999 -7.872 -1.724 1.00 0.00 C ATOM 901 O LEU A 61 16.412 -8.942 -1.318 1.00 0.00 O ATOM 902 CB LEU A 61 17.698 -6.279 -2.654 1.00 0.00 C ATOM 903 CG LEU A 61 18.400 -5.826 -3.935 1.00 0.00 C ATOM 904 CD1 LEU A 61 19.430 -4.747 -3.597 1.00 0.00 C ATOM 905 CD2 LEU A 61 19.108 -7.020 -4.577 1.00 0.00 C ATOM 0 H LEU A 61 15.713 -5.390 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 61 16.884 -8.058 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.306 -5.415 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.411 -6.769 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 61 17.663 -5.422 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.931 -4.424 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.928 -3.896 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.166 -5.152 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.609 -6.698 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.845 -7.423 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.376 -7.791 -4.817 1.00 0.00 H new ATOM 917 N ASP A 62 15.061 -7.214 -1.090 1.00 0.00 N ATOM 918 CA ASP A 62 14.492 -7.753 0.187 1.00 0.00 C ATOM 919 C ASP A 62 13.827 -9.107 -0.029 1.00 0.00 C ATOM 920 O ASP A 62 13.963 -10.011 0.776 1.00 0.00 O ATOM 921 CB ASP A 62 13.453 -6.718 0.633 1.00 0.00 C ATOM 922 CG ASP A 62 14.164 -5.461 1.148 1.00 0.00 C ATOM 923 OD1 ASP A 62 15.277 -5.584 1.632 1.00 0.00 O ATOM 924 OD2 ASP A 62 13.577 -4.395 1.054 1.00 0.00 O ATOM 0 H ASP A 62 14.664 -6.327 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 62 15.271 -7.908 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.799 -6.462 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.821 -7.137 1.416 1.00 0.00 H new ATOM 929 N ASP A 63 13.108 -9.239 -1.090 1.00 0.00 N ATOM 930 CA ASP A 63 12.407 -10.515 -1.376 1.00 0.00 C ATOM 931 C ASP A 63 13.161 -11.367 -2.393 1.00 0.00 C ATOM 932 O ASP A 63 12.631 -12.335 -2.891 1.00 0.00 O ATOM 933 CB ASP A 63 11.041 -10.121 -1.941 1.00 0.00 C ATOM 934 CG ASP A 63 10.058 -11.296 -1.819 1.00 0.00 C ATOM 935 OD1 ASP A 63 10.507 -12.411 -1.596 1.00 0.00 O ATOM 936 OD2 ASP A 63 8.869 -11.058 -1.949 1.00 0.00 O ATOM 0 H ASP A 63 12.970 -8.508 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 63 12.328 -11.116 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.653 -9.255 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.142 -9.829 -2.986 1.00 0.00 H new ATOM 941 N SER A 64 14.387 -11.018 -2.690 1.00 0.00 N ATOM 942 CA SER A 64 15.211 -11.793 -3.682 1.00 0.00 C ATOM 943 C SER A 64 14.564 -11.768 -5.077 1.00 0.00 C ATOM 944 O SER A 64 15.105 -11.190 -6.002 1.00 0.00 O ATOM 945 CB SER A 64 15.303 -13.230 -3.149 1.00 0.00 C ATOM 946 OG SER A 64 16.223 -13.965 -3.946 1.00 0.00 O ATOM 0 H SER A 64 14.865 -10.215 -2.282 1.00 0.00 H new ATOM 0 HA SER A 64 16.202 -11.352 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.628 -13.225 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.322 -13.704 -3.174 1.00 0.00 H new ATOM 0 HG SER A 64 16.287 -14.883 -3.609 1.00 0.00 H new ATOM 952 N ILE A 67 13.426 -12.395 -5.243 1.00 0.00 N ATOM 953 CA ILE A 67 12.757 -12.415 -6.577 1.00 0.00 C ATOM 954 C ILE A 67 11.264 -12.061 -6.469 1.00 0.00 C ATOM 955 O ILE A 67 10.410 -12.916 -6.614 1.00 0.00 O ATOM 956 CB ILE A 67 12.952 -13.843 -7.085 1.00 0.00 C ATOM 957 CG1 ILE A 67 14.450 -14.093 -7.267 1.00 0.00 C ATOM 958 CG2 ILE A 67 12.233 -14.033 -8.427 1.00 0.00 C ATOM 959 CD1 ILE A 67 14.679 -15.548 -7.647 1.00 0.00 C ATOM 0 H ILE A 67 12.930 -12.896 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 67 13.181 -11.674 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 67 12.535 -14.547 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.848 -13.437 -8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.983 -13.858 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.380 -15.055 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.167 -13.843 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.640 -13.336 -9.160 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.746 -15.726 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.296 -16.195 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 67 14.159 -15.767 -8.579 1.00 0.00 H new ATOM 971 N CYS A 68 10.941 -10.807 -6.246 1.00 0.00 N ATOM 972 CA CYS A 68 9.499 -10.403 -6.169 1.00 0.00 C ATOM 973 C CYS A 68 9.166 -9.500 -7.358 1.00 0.00 C ATOM 974 O CYS A 68 10.043 -8.902 -7.952 1.00 0.00 O ATOM 975 CB CYS A 68 9.321 -9.646 -4.843 1.00 0.00 C ATOM 976 SG CYS A 68 10.736 -8.557 -4.545 1.00 0.00 S ATOM 0 H CYS A 68 11.611 -10.049 -6.115 1.00 0.00 H new ATOM 0 HA CYS A 68 8.833 -11.265 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.402 -9.060 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.221 -10.356 -4.022 1.00 0.00 H new ATOM 981 N THR A 69 7.911 -9.403 -7.714 1.00 0.00 N ATOM 982 CA THR A 69 7.526 -8.539 -8.871 1.00 0.00 C ATOM 983 C THR A 69 6.366 -7.623 -8.472 1.00 0.00 C ATOM 984 O THR A 69 5.557 -7.972 -7.632 1.00 0.00 O ATOM 985 CB THR A 69 7.109 -9.513 -9.980 1.00 0.00 C ATOM 986 OG1 THR A 69 6.720 -8.777 -11.132 1.00 0.00 O ATOM 987 CG2 THR A 69 5.941 -10.384 -9.508 1.00 0.00 C ATOM 0 H THR A 69 7.137 -9.883 -7.255 1.00 0.00 H new ATOM 0 HA THR A 69 8.339 -7.891 -9.199 1.00 0.00 H new ATOM 0 HB THR A 69 7.953 -10.158 -10.224 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.455 -9.398 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.654 -11.071 -10.304 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.244 -10.953 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.093 -9.749 -9.254 1.00 0.00 H new ATOM 995 N GLY A 70 6.283 -6.456 -9.060 1.00 0.00 N ATOM 996 CA GLY A 70 5.177 -5.525 -8.701 1.00 0.00 C ATOM 997 C GLY A 70 4.912 -4.535 -9.835 1.00 0.00 C ATOM 998 O GLY A 70 5.805 -4.147 -10.564 1.00 0.00 O ATOM 0 H GLY A 70 6.931 -6.112 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.271 -6.093 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.433 -4.983 -7.791 1.00 0.00 H new ATOM 1002 N THR A 71 3.682 -4.116 -9.968 1.00 0.00 N ATOM 1003 CA THR A 71 3.318 -3.132 -11.027 1.00 0.00 C ATOM 1004 C THR A 71 2.524 -1.994 -10.389 1.00 0.00 C ATOM 1005 O THR A 71 1.970 -2.140 -9.317 1.00 0.00 O ATOM 1006 CB THR A 71 2.449 -3.893 -12.011 1.00 0.00 C ATOM 1007 OG1 THR A 71 3.154 -5.026 -12.499 1.00 0.00 O ATOM 1008 CG2 THR A 71 2.064 -2.985 -13.178 1.00 0.00 C ATOM 0 H THR A 71 2.905 -4.418 -9.380 1.00 0.00 H new ATOM 0 HA THR A 71 4.191 -2.704 -11.520 1.00 0.00 H new ATOM 0 HB THR A 71 1.543 -4.224 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.573 -5.814 -12.460 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.440 -3.539 -13.880 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.511 -2.124 -12.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.966 -2.643 -13.686 1.00 0.00 H new ATOM 1016 N SER A 72 2.456 -0.872 -11.043 1.00 0.00 N ATOM 1017 CA SER A 72 1.689 0.279 -10.480 1.00 0.00 C ATOM 1018 C SER A 72 1.059 1.096 -11.611 1.00 0.00 C ATOM 1019 O SER A 72 1.743 1.797 -12.333 1.00 0.00 O ATOM 1020 CB SER A 72 2.715 1.116 -9.717 1.00 0.00 C ATOM 1021 OG SER A 72 2.052 2.192 -9.068 1.00 0.00 O ATOM 0 H SER A 72 2.898 -0.698 -11.946 1.00 0.00 H new ATOM 0 HA SER A 72 0.876 -0.048 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.233 0.498 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.471 1.499 -10.402 1.00 0.00 H new ATOM 0 HG SER A 72 2.707 2.731 -8.576 1.00 0.00 H new ATOM 1027 N SER A 73 -0.237 1.018 -11.760 1.00 0.00 N ATOM 1028 CA SER A 73 -0.921 1.798 -12.833 1.00 0.00 C ATOM 1029 C SER A 73 -1.939 2.745 -12.203 1.00 0.00 C ATOM 1030 O SER A 73 -2.810 2.324 -11.464 1.00 0.00 O ATOM 1031 CB SER A 73 -1.621 0.755 -13.702 1.00 0.00 C ATOM 1032 OG SER A 73 -2.227 1.401 -14.814 1.00 0.00 O ATOM 0 H SER A 73 -0.853 0.446 -11.183 1.00 0.00 H new ATOM 0 HA SER A 73 -0.229 2.405 -13.417 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.903 0.010 -14.046 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.375 0.226 -13.119 1.00 0.00 H new ATOM 0 HG SER A 73 -2.676 0.734 -15.375 1.00 0.00 H new ATOM 1038 N GLY A 74 -1.830 4.023 -12.472 1.00 0.00 N ATOM 1039 CA GLY A 74 -2.789 4.999 -11.875 1.00 0.00 C ATOM 1040 C GLY A 74 -2.685 4.933 -10.349 1.00 0.00 C ATOM 1041 O GLY A 74 -1.633 5.155 -9.779 1.00 0.00 O ATOM 0 H GLY A 74 -1.119 4.431 -13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.566 6.007 -12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.806 4.770 -12.193 1.00 0.00 H new ATOM 1045 N ASN A 75 -3.767 4.618 -9.688 1.00 0.00 N ATOM 1046 CA ASN A 75 -3.745 4.518 -8.200 1.00 0.00 C ATOM 1047 C ASN A 75 -3.812 3.050 -7.754 1.00 0.00 C ATOM 1048 O ASN A 75 -4.167 2.759 -6.627 1.00 0.00 O ATOM 1049 CB ASN A 75 -4.990 5.275 -7.737 1.00 0.00 C ATOM 1050 CG ASN A 75 -4.867 6.749 -8.128 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -3.912 7.407 -7.763 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -5.800 7.301 -8.853 1.00 0.00 N ATOM 0 H ASN A 75 -4.671 4.424 -10.118 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.830 4.931 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.882 4.841 -8.190 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.104 5.183 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.728 8.285 -9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.601 6.749 -9.159 1.00 0.00 H new ATOM 1059 N GLN A 76 -3.493 2.123 -8.630 1.00 0.00 N ATOM 1060 CA GLN A 76 -3.562 0.677 -8.251 1.00 0.00 C ATOM 1061 C GLN A 76 -2.177 0.025 -8.308 1.00 0.00 C ATOM 1062 O GLN A 76 -1.562 -0.020 -9.358 1.00 0.00 O ATOM 1063 CB GLN A 76 -4.450 0.035 -9.323 1.00 0.00 C ATOM 1064 CG GLN A 76 -5.837 0.678 -9.326 1.00 0.00 C ATOM 1065 CD GLN A 76 -6.753 -0.067 -10.303 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -6.267 -0.518 -11.429 1.00 0.00 O flip ATOM 1067 NE2 GLN A 76 -7.926 -0.241 -10.039 1.00 0.00 N flip ATOM 0 H GLN A 76 -3.189 2.307 -9.586 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.942 0.552 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.987 0.150 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.539 -1.035 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.262 0.652 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.761 1.727 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.309 0.110 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.528 -0.738 -10.695 1.00 0.00 H new ATOM 1076 N VAL A 77 -1.683 -0.507 -7.207 1.00 0.00 N ATOM 1077 CA VAL A 77 -0.345 -1.170 -7.256 1.00 0.00 C ATOM 1078 C VAL A 77 -0.530 -2.699 -7.232 1.00 0.00 C ATOM 1079 O VAL A 77 -1.165 -3.241 -6.353 1.00 0.00 O ATOM 1080 CB VAL A 77 0.474 -0.657 -6.043 1.00 0.00 C ATOM 1081 CG1 VAL A 77 0.302 0.857 -5.849 1.00 0.00 C ATOM 1082 CG2 VAL A 77 0.105 -1.386 -4.738 1.00 0.00 C ATOM 0 H VAL A 77 -2.143 -0.509 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 77 0.193 -0.929 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 77 1.518 -0.872 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.889 1.183 -4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.644 1.379 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.750 1.084 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.705 -0.991 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.952 -1.231 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.300 -2.453 -4.849 1.00 0.00 H new ATOM 1092 N ASN A 78 -0.002 -3.390 -8.208 1.00 0.00 N ATOM 1093 CA ASN A 78 -0.170 -4.874 -8.262 1.00 0.00 C ATOM 1094 C ASN A 78 1.117 -5.601 -7.827 1.00 0.00 C ATOM 1095 O ASN A 78 2.091 -5.639 -8.554 1.00 0.00 O ATOM 1096 CB ASN A 78 -0.477 -5.147 -9.738 1.00 0.00 C ATOM 1097 CG ASN A 78 -0.969 -6.581 -9.931 1.00 0.00 C ATOM 1098 OD1 ASN A 78 -0.967 -7.383 -9.017 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -1.393 -6.911 -11.128 1.00 0.00 N ATOM 0 H ASN A 78 0.541 -2.990 -8.973 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.949 -5.232 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.233 -4.447 -10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.418 -4.980 -10.338 1.00 0.00 H new ATOM 1105 N LEU A 79 1.109 -6.204 -6.659 1.00 0.00 N ATOM 1106 CA LEU A 79 2.311 -6.965 -6.180 1.00 0.00 C ATOM 1107 C LEU A 79 2.052 -8.469 -6.314 1.00 0.00 C ATOM 1108 O LEU A 79 0.959 -8.936 -6.049 1.00 0.00 O ATOM 1109 CB LEU A 79 2.485 -6.598 -4.699 1.00 0.00 C ATOM 1110 CG LEU A 79 3.028 -5.171 -4.556 1.00 0.00 C ATOM 1111 CD1 LEU A 79 2.910 -4.725 -3.095 1.00 0.00 C ATOM 1112 CD2 LEU A 79 4.504 -5.148 -4.987 1.00 0.00 C ATOM 0 H LEU A 79 0.318 -6.202 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 79 3.201 -6.720 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.528 -6.682 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.167 -7.302 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 79 2.453 -4.492 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.296 -3.711 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.864 -4.748 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.487 -5.399 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.896 -4.136 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.079 -5.824 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.585 -5.468 -6.026 1.00 0.00 H new ATOM 1124 N THR A 80 3.037 -9.232 -6.730 1.00 0.00 N ATOM 1125 CA THR A 80 2.825 -10.701 -6.884 1.00 0.00 C ATOM 1126 C THR A 80 4.055 -11.495 -6.427 1.00 0.00 C ATOM 1127 O THR A 80 5.177 -11.024 -6.487 1.00 0.00 O ATOM 1128 CB THR A 80 2.586 -10.900 -8.380 1.00 0.00 C ATOM 1129 OG1 THR A 80 1.497 -10.084 -8.814 1.00 0.00 O ATOM 1130 CG2 THR A 80 2.264 -12.367 -8.654 1.00 0.00 C ATOM 0 H THR A 80 3.972 -8.900 -6.967 1.00 0.00 H new ATOM 0 HA THR A 80 1.994 -11.056 -6.274 1.00 0.00 H new ATOM 0 HB THR A 80 3.485 -10.614 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.780 -9.146 -8.838 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.093 -12.509 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.100 -12.989 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.368 -12.652 -8.102 1.00 0.00 H new ATOM 1138 N ILE A 81 3.837 -12.705 -5.979 1.00 0.00 N ATOM 1139 CA ILE A 81 4.963 -13.571 -5.516 1.00 0.00 C ATOM 1140 C ILE A 81 5.014 -14.847 -6.357 1.00 0.00 C ATOM 1141 O ILE A 81 3.990 -15.433 -6.638 1.00 0.00 O ATOM 1142 CB ILE A 81 4.599 -13.944 -4.075 1.00 0.00 C ATOM 1143 CG1 ILE A 81 4.569 -12.691 -3.202 1.00 0.00 C ATOM 1144 CG2 ILE A 81 5.632 -14.936 -3.514 1.00 0.00 C ATOM 1145 CD1 ILE A 81 3.746 -12.983 -1.947 1.00 0.00 C ATOM 0 H ILE A 81 2.914 -13.135 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 81 5.927 -13.069 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 81 3.613 -14.408 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.582 -12.397 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.133 -11.858 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.367 -15.197 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.641 -15.837 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.621 -14.478 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.718 -12.095 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.731 -13.257 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.202 -13.805 -1.396 1.00 0.00 H new ATOM 1157 N GLN A 82 6.189 -15.306 -6.714 1.00 0.00 N ATOM 1158 CA GLN A 82 6.280 -16.582 -7.484 1.00 0.00 C ATOM 1159 C GLN A 82 7.012 -17.632 -6.653 1.00 0.00 C ATOM 1160 O GLN A 82 8.148 -17.449 -6.257 1.00 0.00 O ATOM 1161 CB GLN A 82 7.078 -16.287 -8.748 1.00 0.00 C ATOM 1162 CG GLN A 82 6.275 -15.387 -9.686 1.00 0.00 C ATOM 1163 CD GLN A 82 7.229 -14.508 -10.497 1.00 0.00 C ATOM 1164 OE1 GLN A 82 8.343 -14.255 -10.081 1.00 0.00 O ATOM 1165 NE2 GLN A 82 6.838 -14.028 -11.646 1.00 0.00 N ATOM 0 H GLN A 82 7.081 -14.856 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 82 5.287 -16.961 -7.727 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.019 -15.803 -8.487 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.328 -17.220 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.666 -15.994 -10.356 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.591 -14.764 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.904 -14.240 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.467 -13.441 -12.194 1.00 0.00 H new ATOM 1174 N GLY A 83 6.365 -18.729 -6.400 1.00 0.00 N ATOM 1175 CA GLY A 83 6.996 -19.820 -5.601 1.00 0.00 C ATOM 1176 C GLY A 83 6.345 -19.884 -4.221 1.00 0.00 C ATOM 1177 O GLY A 83 7.018 -19.861 -3.207 1.00 0.00 O ATOM 0 H GLY A 83 5.414 -18.923 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.880 -20.775 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.066 -19.640 -5.502 1.00 0.00 H new ATOM 1181 N LEU A 84 5.039 -19.957 -4.176 1.00 0.00 N ATOM 1182 CA LEU A 84 4.334 -20.014 -2.863 1.00 0.00 C ATOM 1183 C LEU A 84 3.993 -21.455 -2.479 1.00 0.00 C ATOM 1184 O LEU A 84 3.220 -22.121 -3.141 1.00 0.00 O ATOM 1185 CB LEU A 84 3.052 -19.213 -3.079 1.00 0.00 C ATOM 1186 CG LEU A 84 3.406 -17.756 -3.361 1.00 0.00 C ATOM 1187 CD1 LEU A 84 2.166 -17.021 -3.867 1.00 0.00 C ATOM 1188 CD2 LEU A 84 3.897 -17.099 -2.069 1.00 0.00 C ATOM 0 H LEU A 84 4.431 -19.980 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 84 4.951 -19.617 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.486 -19.629 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.415 -19.280 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 84 4.189 -17.708 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.417 -15.980 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.812 -17.493 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.383 -17.065 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.152 -16.057 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.111 -17.145 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.779 -17.626 -1.705 1.00 0.00 H new ATOM 1200 N ARG A 85 4.547 -21.923 -1.392 1.00 0.00 N ATOM 1201 CA ARG A 85 4.247 -23.305 -0.920 1.00 0.00 C ATOM 1202 C ARG A 85 3.258 -23.222 0.243 1.00 0.00 C ATOM 1203 O ARG A 85 2.855 -22.144 0.639 1.00 0.00 O ATOM 1204 CB ARG A 85 5.587 -23.873 -0.447 1.00 0.00 C ATOM 1205 CG ARG A 85 6.565 -23.922 -1.622 1.00 0.00 C ATOM 1206 CD ARG A 85 7.635 -24.984 -1.354 1.00 0.00 C ATOM 1207 NE ARG A 85 8.379 -24.501 -0.149 1.00 0.00 N ATOM 1208 CZ ARG A 85 9.186 -25.298 0.524 1.00 0.00 C ATOM 1209 NH1 ARG A 85 9.367 -26.551 0.174 1.00 0.00 N ATOM 1210 NH2 ARG A 85 9.819 -24.831 1.566 1.00 0.00 N ATOM 0 H ARG A 85 5.200 -21.402 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 85 3.805 -23.932 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.994 -23.254 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.445 -24.873 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.031 -24.153 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.032 -22.947 -1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.184 -25.960 -1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.302 -25.095 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 85 8.260 -23.536 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.877 -26.930 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.997 -27.145 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.686 -23.861 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.446 -25.437 2.095 1.00 0.00 H new ATOM 1224 N ALA A 86 2.871 -24.340 0.804 1.00 0.00 N ATOM 1225 CA ALA A 86 1.907 -24.307 1.951 1.00 0.00 C ATOM 1226 C ALA A 86 2.507 -23.489 3.100 1.00 0.00 C ATOM 1227 O ALA A 86 1.839 -22.682 3.719 1.00 0.00 O ATOM 1228 CB ALA A 86 1.724 -25.767 2.369 1.00 0.00 C ATOM 0 H ALA A 86 3.178 -25.271 0.521 1.00 0.00 H new ATOM 0 HA ALA A 86 0.956 -23.847 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.029 -25.821 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.327 -26.339 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.686 -26.183 2.668 1.00 0.00 H new ATOM 1234 N MET A 87 3.768 -23.692 3.375 1.00 0.00 N ATOM 1235 CA MET A 87 4.441 -22.929 4.469 1.00 0.00 C ATOM 1236 C MET A 87 4.436 -21.428 4.159 1.00 0.00 C ATOM 1237 O MET A 87 4.269 -20.603 5.037 1.00 0.00 O ATOM 1238 CB MET A 87 5.876 -23.461 4.502 1.00 0.00 C ATOM 1239 CG MET A 87 6.635 -22.817 5.663 1.00 0.00 C ATOM 1240 SD MET A 87 8.363 -23.357 5.627 1.00 0.00 S ATOM 1241 CE MET A 87 8.879 -22.570 7.172 1.00 0.00 C ATOM 0 H MET A 87 4.366 -24.358 2.886 1.00 0.00 H new ATOM 0 HA MET A 87 3.934 -23.056 5.426 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.870 -24.545 4.615 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.378 -23.241 3.560 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.581 -21.731 5.589 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.175 -23.096 6.611 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.934 -22.777 7.351 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.728 -21.493 7.100 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.286 -22.965 7.997 1.00 0.00 H new ATOM 1251 N ASP A 88 4.630 -21.076 2.915 1.00 0.00 N ATOM 1252 CA ASP A 88 4.658 -19.628 2.529 1.00 0.00 C ATOM 1253 C ASP A 88 3.275 -18.994 2.702 1.00 0.00 C ATOM 1254 O ASP A 88 3.157 -17.802 2.914 1.00 0.00 O ATOM 1255 CB ASP A 88 5.058 -19.611 1.054 1.00 0.00 C ATOM 1256 CG ASP A 88 6.478 -20.165 0.894 1.00 0.00 C ATOM 1257 OD1 ASP A 88 7.258 -20.035 1.825 1.00 0.00 O ATOM 1258 OD2 ASP A 88 6.761 -20.714 -0.158 1.00 0.00 O ATOM 0 H ASP A 88 4.771 -21.729 2.145 1.00 0.00 H new ATOM 0 HA ASP A 88 5.350 -19.061 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.357 -20.208 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.009 -18.593 0.666 1.00 0.00 H new ATOM 1263 N THR A 89 2.226 -19.777 2.606 1.00 0.00 N ATOM 1264 CA THR A 89 0.848 -19.229 2.756 1.00 0.00 C ATOM 1265 C THR A 89 0.733 -18.412 4.040 1.00 0.00 C ATOM 1266 O THR A 89 1.192 -18.820 5.091 1.00 0.00 O ATOM 1267 CB THR A 89 -0.061 -20.437 2.817 1.00 0.00 C ATOM 1268 OG1 THR A 89 0.234 -21.313 1.738 1.00 0.00 O ATOM 1269 CG2 THR A 89 -1.517 -19.990 2.733 1.00 0.00 C ATOM 0 H THR A 89 2.271 -20.780 2.429 1.00 0.00 H new ATOM 0 HA THR A 89 0.586 -18.564 1.933 1.00 0.00 H new ATOM 0 HB THR A 89 0.100 -20.961 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.355 -22.095 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.169 -20.863 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.742 -19.326 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.682 -19.461 1.794 1.00 0.00 H new ATOM 1277 N GLY A 90 0.139 -17.260 3.950 1.00 0.00 N ATOM 1278 CA GLY A 90 0.002 -16.393 5.160 1.00 0.00 C ATOM 1279 C GLY A 90 -0.519 -15.008 4.768 1.00 0.00 C ATOM 1280 O GLY A 90 -1.257 -14.860 3.812 1.00 0.00 O ATOM 0 H GLY A 90 -0.260 -16.876 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.680 -16.857 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.967 -16.298 5.658 1.00 0.00 H new ATOM 1284 N LEU A 91 -0.150 -13.996 5.516 1.00 0.00 N ATOM 1285 CA LEU A 91 -0.628 -12.617 5.216 1.00 0.00 C ATOM 1286 C LEU A 91 0.487 -11.741 4.637 1.00 0.00 C ATOM 1287 O LEU A 91 1.589 -11.688 5.151 1.00 0.00 O ATOM 1288 CB LEU A 91 -1.071 -12.062 6.569 1.00 0.00 C ATOM 1289 CG LEU A 91 -1.670 -10.669 6.379 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -3.114 -10.789 5.909 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.618 -9.912 7.691 1.00 0.00 C ATOM 0 H LEU A 91 0.466 -14.071 6.326 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.425 -12.627 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.806 -12.726 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.221 -12.014 7.250 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.095 -10.128 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.537 -9.793 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.145 -11.327 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.695 -11.333 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.045 -8.919 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.189 -10.452 8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.582 -9.820 8.017 1.00 0.00 H new ATOM 1303 N TYR A 92 0.177 -11.020 3.593 1.00 0.00 N ATOM 1304 CA TYR A 92 1.170 -10.094 2.980 1.00 0.00 C ATOM 1305 C TYR A 92 0.649 -8.665 3.124 1.00 0.00 C ATOM 1306 O TYR A 92 -0.547 -8.435 3.094 1.00 0.00 O ATOM 1307 CB TYR A 92 1.267 -10.514 1.517 1.00 0.00 C ATOM 1308 CG TYR A 92 1.986 -11.838 1.439 1.00 0.00 C ATOM 1309 CD1 TYR A 92 1.273 -13.047 1.654 1.00 0.00 C ATOM 1310 CD2 TYR A 92 3.378 -11.872 1.156 1.00 0.00 C ATOM 1311 CE1 TYR A 92 1.952 -14.293 1.584 1.00 0.00 C ATOM 1312 CE2 TYR A 92 4.058 -13.117 1.087 1.00 0.00 C ATOM 1313 CZ TYR A 92 3.343 -14.329 1.301 1.00 0.00 C ATOM 1314 OH TYR A 92 3.999 -15.541 1.232 1.00 0.00 O ATOM 0 H TYR A 92 -0.734 -11.034 3.134 1.00 0.00 H new ATOM 0 HA TYR A 92 2.152 -10.134 3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.271 -10.599 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.803 -9.759 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.215 -13.019 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.919 -10.951 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.410 -15.213 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.116 -13.144 0.872 1.00 0.00 H new ATOM 0 HH TYR A 92 3.592 -16.170 1.864 1.00 0.00 H new ATOM 1324 N ILE A 93 1.521 -7.710 3.319 1.00 0.00 N ATOM 1325 CA ILE A 93 1.051 -6.304 3.516 1.00 0.00 C ATOM 1326 C ILE A 93 1.454 -5.402 2.359 1.00 0.00 C ATOM 1327 O ILE A 93 2.605 -5.335 1.998 1.00 0.00 O ATOM 1328 CB ILE A 93 1.738 -5.826 4.799 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.286 -6.697 5.971 1.00 0.00 C ATOM 1330 CG2 ILE A 93 1.366 -4.358 5.091 1.00 0.00 C ATOM 1331 CD1 ILE A 93 2.114 -7.982 6.038 1.00 0.00 C ATOM 0 H ILE A 93 2.532 -7.840 3.350 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.037 -6.267 3.574 1.00 0.00 H new ATOM 0 HB ILE A 93 2.818 -5.903 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.389 -6.143 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.230 -6.944 5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.861 -4.032 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.687 -3.729 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.286 -4.274 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.777 -8.588 6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.989 -8.544 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.166 -7.730 6.171 1.00 0.00 H new ATOM 1343 N CYS A 94 0.518 -4.669 1.818 1.00 0.00 N ATOM 1344 CA CYS A 94 0.857 -3.716 0.730 1.00 0.00 C ATOM 1345 C CYS A 94 1.148 -2.358 1.371 1.00 0.00 C ATOM 1346 O CYS A 94 0.333 -1.824 2.102 1.00 0.00 O ATOM 1347 CB CYS A 94 -0.388 -3.651 -0.154 1.00 0.00 C ATOM 1348 SG CYS A 94 -1.755 -2.921 0.780 1.00 0.00 S ATOM 0 H CYS A 94 -0.466 -4.691 2.085 1.00 0.00 H new ATOM 0 HA CYS A 94 1.728 -4.011 0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.184 -3.057 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.659 -4.651 -0.493 1.00 0.00 H new ATOM 1353 N LYS A 95 2.304 -1.805 1.122 1.00 0.00 N ATOM 1354 CA LYS A 95 2.659 -0.489 1.733 1.00 0.00 C ATOM 1355 C LYS A 95 2.868 0.531 0.621 1.00 0.00 C ATOM 1356 O LYS A 95 3.431 0.213 -0.404 1.00 0.00 O ATOM 1357 CB LYS A 95 3.956 -0.764 2.492 1.00 0.00 C ATOM 1358 CG LYS A 95 4.422 0.501 3.221 1.00 0.00 C ATOM 1359 CD LYS A 95 4.542 0.201 4.712 1.00 0.00 C ATOM 1360 CE LYS A 95 5.060 1.440 5.448 1.00 0.00 C ATOM 1361 NZ LYS A 95 5.211 1.008 6.866 1.00 0.00 N ATOM 0 H LYS A 95 3.021 -2.208 0.520 1.00 0.00 H new ATOM 0 HA LYS A 95 1.890 -0.087 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.802 -1.570 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.728 -1.098 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.382 0.831 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.713 1.313 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.572 -0.093 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.220 -0.638 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.010 1.777 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.362 2.272 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.563 1.804 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.289 0.699 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.887 0.219 6.919 1.00 0.00 H new ATOM 1375 N VAL A 96 2.393 1.738 0.794 1.00 0.00 N ATOM 1376 CA VAL A 96 2.551 2.760 -0.286 1.00 0.00 C ATOM 1377 C VAL A 96 2.983 4.094 0.329 1.00 0.00 C ATOM 1378 O VAL A 96 2.230 4.718 1.067 1.00 0.00 O ATOM 1379 CB VAL A 96 1.161 2.906 -0.926 1.00 0.00 C ATOM 1380 CG1 VAL A 96 1.290 3.635 -2.269 1.00 0.00 C ATOM 1381 CG2 VAL A 96 0.516 1.530 -1.153 1.00 0.00 C ATOM 0 H VAL A 96 1.906 2.059 1.630 1.00 0.00 H new ATOM 0 HA VAL A 96 3.304 2.468 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 96 0.528 3.480 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.304 3.739 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.720 4.623 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.937 3.062 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.467 1.659 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.147 0.937 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.410 1.016 -0.198 1.00 0.00 H new ATOM 1391 N GLU A 97 4.191 4.532 0.048 1.00 0.00 N ATOM 1392 CA GLU A 97 4.664 5.817 0.639 1.00 0.00 C ATOM 1393 C GLU A 97 5.439 6.680 -0.358 1.00 0.00 C ATOM 1394 O GLU A 97 6.462 6.273 -0.872 1.00 0.00 O ATOM 1395 CB GLU A 97 5.625 5.387 1.749 1.00 0.00 C ATOM 1396 CG GLU A 97 4.863 4.602 2.820 1.00 0.00 C ATOM 1397 CD GLU A 97 5.838 4.139 3.906 1.00 0.00 C ATOM 1398 OE1 GLU A 97 6.940 3.750 3.559 1.00 0.00 O ATOM 1399 OE2 GLU A 97 5.466 4.189 5.069 1.00 0.00 O ATOM 0 H GLU A 97 4.859 4.057 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 97 3.817 6.416 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.423 4.772 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.097 6.263 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.084 5.226 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.367 3.741 2.371 1.00 0.00 H new ATOM 1406 N LEU A 98 5.007 7.895 -0.561 1.00 0.00 N ATOM 1407 CA LEU A 98 5.768 8.819 -1.431 1.00 0.00 C ATOM 1408 C LEU A 98 6.940 9.257 -0.583 1.00 0.00 C ATOM 1409 O LEU A 98 6.901 10.282 0.085 1.00 0.00 O ATOM 1410 CB LEU A 98 4.819 9.977 -1.715 1.00 0.00 C ATOM 1411 CG LEU A 98 3.828 9.531 -2.778 1.00 0.00 C ATOM 1412 CD1 LEU A 98 2.854 8.537 -2.168 1.00 0.00 C ATOM 1413 CD2 LEU A 98 3.070 10.741 -3.324 1.00 0.00 C ATOM 0 H LEU A 98 4.155 8.284 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 98 6.122 8.402 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.294 10.270 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.376 10.849 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 98 4.364 9.055 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.141 8.214 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.403 7.673 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.319 9.010 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.362 10.414 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.530 11.229 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.777 11.445 -3.764 1.00 0.00 H new ATOM 1425 N MET A 99 7.947 8.442 -0.538 1.00 0.00 N ATOM 1426 CA MET A 99 9.117 8.740 0.342 1.00 0.00 C ATOM 1427 C MET A 99 10.079 9.780 -0.260 1.00 0.00 C ATOM 1428 O MET A 99 10.429 10.741 0.382 1.00 0.00 O ATOM 1429 CB MET A 99 9.825 7.402 0.513 1.00 0.00 C ATOM 1430 CG MET A 99 10.819 7.510 1.665 1.00 0.00 C ATOM 1431 SD MET A 99 9.961 8.099 3.151 1.00 0.00 S ATOM 1432 CE MET A 99 8.849 6.686 3.377 1.00 0.00 C ATOM 0 H MET A 99 8.017 7.576 -1.073 1.00 0.00 H new ATOM 0 HA MET A 99 8.784 9.176 1.284 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.099 6.615 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.343 7.130 -0.407 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.276 6.539 1.857 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.624 8.195 1.401 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.392 6.737 4.365 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.069 6.711 2.616 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.415 5.759 3.286 1.00 0.00 H new ATOM 1442 N TYR A 100 10.509 9.562 -1.469 1.00 0.00 N ATOM 1443 CA TYR A 100 11.450 10.526 -2.110 1.00 0.00 C ATOM 1444 C TYR A 100 10.776 11.879 -2.434 1.00 0.00 C ATOM 1445 O TYR A 100 11.417 12.890 -2.273 1.00 0.00 O ATOM 1446 CB TYR A 100 11.956 9.812 -3.369 1.00 0.00 C ATOM 1447 CG TYR A 100 12.850 8.664 -2.959 1.00 0.00 C ATOM 1448 CD1 TYR A 100 12.289 7.385 -2.706 1.00 0.00 C ATOM 1449 CD2 TYR A 100 14.247 8.871 -2.832 1.00 0.00 C ATOM 1450 CE1 TYR A 100 13.130 6.305 -2.329 1.00 0.00 C ATOM 1451 CE2 TYR A 100 15.088 7.793 -2.463 1.00 0.00 C ATOM 1452 CZ TYR A 100 14.528 6.509 -2.210 1.00 0.00 C ATOM 1453 OH TYR A 100 15.354 5.463 -1.869 1.00 0.00 O ATOM 0 H TYR A 100 10.251 8.759 -2.043 1.00 0.00 H new ATOM 0 HA TYR A 100 12.270 10.789 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 100 11.115 9.443 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 100 12.505 10.509 -4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.224 7.234 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.669 9.848 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.706 5.331 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 100 16.154 7.945 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 100 16.282 5.777 -1.833 1.00 0.00 H new ATOM 1463 N PRO A 101 9.546 11.904 -2.865 1.00 0.00 N ATOM 1464 CA PRO A 101 8.882 13.186 -3.182 1.00 0.00 C ATOM 1465 C PRO A 101 8.295 13.870 -1.932 1.00 0.00 C ATOM 1466 O PRO A 101 7.318 13.343 -1.386 1.00 0.00 O ATOM 1467 CB PRO A 101 7.802 12.822 -4.148 1.00 0.00 C ATOM 1468 CG PRO A 101 7.526 11.350 -3.970 1.00 0.00 C ATOM 1469 CD PRO A 101 8.651 10.747 -3.149 1.00 0.00 C ATOM 0 HA PRO A 101 9.589 13.907 -3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.903 13.408 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.112 13.035 -5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.569 11.201 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.458 10.857 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.277 10.296 -2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.172 9.964 -3.700 1.00 0.00 H new ATOM 1477 N PRO A 102 8.872 14.984 -1.560 1.00 0.00 N ATOM 1478 CA PRO A 102 8.302 15.733 -0.425 1.00 0.00 C ATOM 1479 C PRO A 102 7.034 16.721 -0.860 1.00 0.00 C ATOM 1480 O PRO A 102 7.170 17.113 -2.008 1.00 0.00 O ATOM 1481 CB PRO A 102 9.469 16.530 0.065 1.00 0.00 C ATOM 1482 CG PRO A 102 10.393 16.729 -1.138 1.00 0.00 C ATOM 1483 CD PRO A 102 10.058 15.705 -2.168 1.00 0.00 C ATOM 0 HA PRO A 102 7.869 15.073 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.143 17.489 0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.986 16.007 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.271 17.732 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.436 16.634 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.805 16.163 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.892 15.027 -2.350 1.00 0.00 H new ATOM 1491 N PRO A 103 5.956 17.094 -0.044 1.00 0.00 N ATOM 1492 CA PRO A 103 6.297 16.144 1.080 1.00 0.00 C ATOM 1493 C PRO A 103 5.694 14.696 1.052 1.00 0.00 C ATOM 1494 O PRO A 103 4.811 14.342 0.334 1.00 0.00 O ATOM 1495 CB PRO A 103 6.017 16.931 2.383 1.00 0.00 C ATOM 1496 CG PRO A 103 5.083 17.875 1.818 1.00 0.00 C ATOM 1497 CD PRO A 103 4.542 17.169 0.625 1.00 0.00 C ATOM 0 HA PRO A 103 7.344 15.860 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.583 16.316 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.907 17.403 2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.293 18.128 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.575 18.808 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.094 16.199 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 103 3.806 17.741 0.059 1.00 0.00 H new ATOM 1505 N TYR A 104 6.166 13.965 2.012 1.00 0.00 N ATOM 1506 CA TYR A 104 5.678 12.566 2.129 1.00 0.00 C ATOM 1507 C TYR A 104 4.303 12.553 2.883 1.00 0.00 C ATOM 1508 O TYR A 104 4.148 13.000 3.987 1.00 0.00 O ATOM 1509 CB TYR A 104 6.760 11.901 2.970 1.00 0.00 C ATOM 1510 CG TYR A 104 6.323 10.522 3.394 1.00 0.00 C ATOM 1511 CD1 TYR A 104 5.528 9.736 2.521 1.00 0.00 C ATOM 1512 CD2 TYR A 104 6.679 10.041 4.671 1.00 0.00 C ATOM 1513 CE1 TYR A 104 5.123 8.445 2.925 1.00 0.00 C ATOM 1514 CE2 TYR A 104 6.275 8.747 5.086 1.00 0.00 C ATOM 1515 CZ TYR A 104 5.481 7.949 4.211 1.00 0.00 C ATOM 1516 OH TYR A 104 5.063 6.700 4.611 1.00 0.00 O ATOM 0 H TYR A 104 6.851 14.262 2.707 1.00 0.00 H new ATOM 0 HA TYR A 104 5.516 12.069 1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 104 7.686 11.836 2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 104 6.971 12.509 3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.235 10.122 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.262 10.661 5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.539 7.831 2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.566 8.369 6.055 1.00 0.00 H new ATOM 0 HH TYR A 104 5.770 6.271 5.136 1.00 0.00 H new ATOM 1526 N TYR A 105 3.329 11.909 2.254 1.00 0.00 N ATOM 1527 CA TYR A 105 1.975 11.765 2.880 1.00 0.00 C ATOM 1528 C TYR A 105 1.175 10.618 2.231 1.00 0.00 C ATOM 1529 O TYR A 105 0.696 10.769 1.115 1.00 0.00 O ATOM 1530 CB TYR A 105 1.312 13.072 2.576 1.00 0.00 C ATOM 1531 CG TYR A 105 -0.029 13.142 3.237 1.00 0.00 C ATOM 1532 CD1 TYR A 105 -1.148 12.598 2.577 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -0.169 13.757 4.512 1.00 0.00 C ATOM 1534 CE1 TYR A 105 -2.428 12.644 3.198 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -1.437 13.807 5.132 1.00 0.00 C ATOM 1536 CZ TYR A 105 -2.572 13.251 4.472 1.00 0.00 C ATOM 1537 OH TYR A 105 -3.804 13.302 5.085 1.00 0.00 O ATOM 0 H TYR A 105 3.423 11.480 1.333 1.00 0.00 H new ATOM 0 HA TYR A 105 2.035 11.535 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.939 13.894 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.200 13.188 1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -1.035 12.147 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.692 14.184 5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.287 12.218 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.547 14.265 6.104 1.00 0.00 H new ATOM 0 HH TYR A 105 -3.720 13.751 5.952 1.00 0.00 H new ATOM 1547 N LEU A 106 1.020 9.509 2.881 1.00 0.00 N ATOM 1548 CA LEU A 106 0.232 8.408 2.258 1.00 0.00 C ATOM 1549 C LEU A 106 -0.287 7.445 3.324 1.00 0.00 C ATOM 1550 O LEU A 106 -0.646 7.868 4.410 1.00 0.00 O ATOM 1551 CB LEU A 106 1.211 7.733 1.289 1.00 0.00 C ATOM 1552 CG LEU A 106 0.444 7.364 -0.004 1.00 0.00 C ATOM 1553 CD1 LEU A 106 0.130 8.639 -0.795 1.00 0.00 C ATOM 1554 CD2 LEU A 106 1.255 6.394 -0.885 1.00 0.00 C ATOM 0 H LEU A 106 1.398 9.312 3.808 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.657 8.765 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.040 8.403 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.639 6.840 1.744 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.482 6.865 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.410 8.379 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.484 9.303 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.060 9.143 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.686 6.157 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.199 6.860 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.454 5.478 -0.329 1.00 0.00 H new ATOM 1566 N GLY A 108 -0.346 6.168 3.038 1.00 0.00 N ATOM 1567 CA GLY A 108 -0.859 5.216 4.070 1.00 0.00 C ATOM 1568 C GLY A 108 -0.472 3.778 3.720 1.00 0.00 C ATOM 1569 O GLY A 108 0.105 3.516 2.680 1.00 0.00 O ATOM 0 H GLY A 108 -0.067 5.749 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.454 5.479 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.944 5.299 4.141 1.00 0.00 H new ATOM 1573 N ILE A 109 -0.765 2.858 4.603 1.00 0.00 N ATOM 1574 CA ILE A 109 -0.407 1.435 4.374 1.00 0.00 C ATOM 1575 C ILE A 109 -1.669 0.561 4.465 1.00 0.00 C ATOM 1576 O ILE A 109 -2.708 0.995 4.922 1.00 0.00 O ATOM 1577 CB ILE A 109 0.563 1.095 5.527 1.00 0.00 C ATOM 1578 CG1 ILE A 109 1.894 1.823 5.336 1.00 0.00 C ATOM 1579 CG2 ILE A 109 0.834 -0.410 5.574 1.00 0.00 C ATOM 1580 CD1 ILE A 109 1.755 3.290 5.717 1.00 0.00 C ATOM 0 H ILE A 109 -1.244 3.040 5.485 1.00 0.00 H new ATOM 0 HA ILE A 109 0.036 1.262 3.393 1.00 0.00 H new ATOM 0 HB ILE A 109 0.097 1.414 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.664 1.353 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.216 1.739 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.519 -0.631 6.392 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.103 -0.944 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.279 -0.729 4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.711 3.795 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.000 3.760 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.455 3.368 6.762 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.566 -0.683 4.066 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.732 -1.609 4.164 1.00 0.00 C ATOM 1594 C GLY A 110 -2.399 -2.664 5.214 1.00 0.00 C ATOM 1595 O GLY A 110 -1.255 -3.067 5.336 1.00 0.00 O ATOM 0 H GLY A 110 -0.720 -1.097 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.632 -1.062 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.930 -2.078 3.200 1.00 0.00 H new ATOM 1599 N ASN A 111 -3.366 -3.121 5.974 1.00 0.00 N ATOM 1600 CA ASN A 111 -3.050 -4.140 7.019 1.00 0.00 C ATOM 1601 C ASN A 111 -2.480 -5.406 6.373 1.00 0.00 C ATOM 1602 O ASN A 111 -1.554 -6.004 6.893 1.00 0.00 O ATOM 1603 CB ASN A 111 -4.368 -4.454 7.740 1.00 0.00 C ATOM 1604 CG ASN A 111 -4.675 -3.374 8.775 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -5.735 -2.781 8.771 1.00 0.00 O ATOM 1606 ND2 ASN A 111 -3.758 -3.116 9.669 1.00 0.00 N ATOM 0 H ASN A 111 -4.344 -2.837 5.917 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.302 -3.766 7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.181 -4.516 7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.301 -5.426 8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.926 -2.405 10.381 1.00 0.00 H new ATOM 1612 N GLY A 112 -3.003 -5.806 5.241 1.00 0.00 N ATOM 1613 CA GLY A 112 -2.461 -7.021 4.565 1.00 0.00 C ATOM 1614 C GLY A 112 -3.569 -7.897 3.988 1.00 0.00 C ATOM 1615 O GLY A 112 -4.727 -7.794 4.342 1.00 0.00 O ATOM 0 H GLY A 112 -3.776 -5.347 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.784 -6.719 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.874 -7.601 5.278 1.00 0.00 H new ATOM 1619 N THR A 113 -3.184 -8.783 3.112 1.00 0.00 N ATOM 1620 CA THR A 113 -4.145 -9.730 2.486 1.00 0.00 C ATOM 1621 C THR A 113 -3.655 -11.152 2.737 1.00 0.00 C ATOM 1622 O THR A 113 -2.493 -11.449 2.517 1.00 0.00 O ATOM 1623 CB THR A 113 -4.073 -9.442 0.981 1.00 0.00 C ATOM 1624 OG1 THR A 113 -4.474 -8.104 0.727 1.00 0.00 O ATOM 1625 CG2 THR A 113 -4.978 -10.423 0.214 1.00 0.00 C ATOM 0 H THR A 113 -2.220 -8.891 2.797 1.00 0.00 H new ATOM 0 HA THR A 113 -5.156 -9.622 2.880 1.00 0.00 H new ATOM 0 HB THR A 113 -3.046 -9.573 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.396 -7.975 1.033 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.921 -10.212 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.647 -11.445 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.008 -10.308 0.552 1.00 0.00 H new ATOM 1633 N GLN A 114 -4.517 -12.041 3.147 1.00 0.00 N ATOM 1634 CA GLN A 114 -4.060 -13.442 3.345 1.00 0.00 C ATOM 1635 C GLN A 114 -3.928 -14.070 1.959 1.00 0.00 C ATOM 1636 O GLN A 114 -4.742 -13.821 1.097 1.00 0.00 O ATOM 1637 CB GLN A 114 -5.155 -14.141 4.166 1.00 0.00 C ATOM 1638 CG GLN A 114 -4.623 -15.474 4.693 1.00 0.00 C ATOM 1639 CD GLN A 114 -3.760 -15.228 5.932 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -3.915 -14.229 6.607 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -2.852 -16.103 6.262 1.00 0.00 N ATOM 0 H GLN A 114 -5.500 -11.862 3.350 1.00 0.00 H new ATOM 0 HA GLN A 114 -3.104 -13.520 3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.463 -13.506 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -6.037 -14.308 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -5.453 -16.136 4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.036 -15.973 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.722 -16.941 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.272 -15.949 7.087 1.00 0.00 H new ATOM 1650 N ILE A 115 -2.912 -14.856 1.716 1.00 0.00 N ATOM 1651 CA ILE A 115 -2.782 -15.481 0.366 1.00 0.00 C ATOM 1652 C ILE A 115 -2.895 -17.008 0.518 1.00 0.00 C ATOM 1653 O ILE A 115 -2.141 -17.622 1.255 1.00 0.00 O ATOM 1654 CB ILE A 115 -1.396 -15.066 -0.169 1.00 0.00 C ATOM 1655 CG1 ILE A 115 -1.412 -13.566 -0.499 1.00 0.00 C ATOM 1656 CG2 ILE A 115 -1.069 -15.860 -1.444 1.00 0.00 C ATOM 1657 CD1 ILE A 115 -0.038 -13.129 -1.024 1.00 0.00 C ATOM 0 H ILE A 115 -2.176 -15.090 2.383 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.560 -15.159 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.640 -15.273 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.179 -13.358 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.670 -12.992 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.089 -15.562 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.062 -16.926 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.824 -15.655 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.059 -12.064 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.720 -13.321 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.203 -13.692 -1.926 1.00 0.00 H new ATOM 1669 N TYR A 116 -3.813 -17.615 -0.195 1.00 0.00 N ATOM 1670 CA TYR A 116 -3.977 -19.101 -0.116 1.00 0.00 C ATOM 1671 C TYR A 116 -3.388 -19.746 -1.369 1.00 0.00 C ATOM 1672 O TYR A 116 -3.559 -19.245 -2.464 1.00 0.00 O ATOM 1673 CB TYR A 116 -5.491 -19.355 -0.077 1.00 0.00 C ATOM 1674 CG TYR A 116 -6.053 -18.985 1.278 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -5.498 -19.559 2.453 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -7.148 -18.078 1.381 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -6.031 -19.227 3.728 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -7.675 -17.748 2.656 1.00 0.00 C ATOM 1679 CZ TYR A 116 -7.118 -18.320 3.830 1.00 0.00 C ATOM 1680 OH TYR A 116 -7.636 -17.998 5.068 1.00 0.00 O ATOM 0 H TYR A 116 -4.457 -17.144 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.472 -19.517 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.984 -18.771 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -5.696 -20.405 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -4.670 -20.248 2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -7.576 -17.643 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.609 -19.665 4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -8.503 -17.059 2.734 1.00 0.00 H new ATOM 0 HH TYR A 116 -8.375 -17.364 4.959 1.00 0.00 H new ATOM 1690 N VAL A 117 -2.718 -20.862 -1.225 1.00 0.00 N ATOM 1691 CA VAL A 117 -2.147 -21.535 -2.426 1.00 0.00 C ATOM 1692 C VAL A 117 -2.908 -22.827 -2.706 1.00 0.00 C ATOM 1693 O VAL A 117 -3.540 -23.402 -1.841 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.678 -21.834 -2.116 1.00 0.00 C ATOM 1695 CG1 VAL A 117 -0.050 -22.593 -3.300 1.00 0.00 C ATOM 1696 CG2 VAL A 117 0.072 -20.519 -1.899 1.00 0.00 C ATOM 0 H VAL A 117 -2.544 -21.331 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.230 -20.902 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.611 -22.445 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.996 -22.807 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.586 -23.529 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.115 -21.981 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.118 -20.729 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.007 -19.910 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.374 -19.979 -1.063 1.00 0.00 H new ATOM 1706 N ILE A 118 -2.847 -23.263 -3.925 1.00 0.00 N ATOM 1707 CA ILE A 118 -3.551 -24.498 -4.335 1.00 0.00 C ATOM 1708 C ILE A 118 -2.553 -25.653 -4.479 1.00 0.00 C ATOM 1709 O ILE A 118 -1.458 -25.476 -4.981 1.00 0.00 O ATOM 1710 CB ILE A 118 -4.127 -24.113 -5.696 1.00 0.00 C ATOM 1711 CG1 ILE A 118 -5.091 -22.922 -5.561 1.00 0.00 C ATOM 1712 CG2 ILE A 118 -4.862 -25.300 -6.321 1.00 0.00 C ATOM 1713 CD1 ILE A 118 -6.192 -23.251 -4.557 1.00 0.00 C ATOM 0 H ILE A 118 -2.326 -22.804 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.305 -24.833 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 118 -3.299 -23.825 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.544 -22.037 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.530 -22.688 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.266 -25.008 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.167 -26.130 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.677 -25.609 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.869 -22.402 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.748 -24.124 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.747 -23.463 -3.585 1.00 0.00 H new ATOM 1725 N ASP A 119 -2.925 -26.832 -4.052 1.00 0.00 N ATOM 1726 CA ASP A 119 -2.006 -28.004 -4.174 1.00 0.00 C ATOM 1727 C ASP A 119 -2.625 -29.061 -5.100 1.00 0.00 C ATOM 1728 O ASP A 119 -3.445 -29.846 -4.666 1.00 0.00 O ATOM 1729 CB ASP A 119 -1.863 -28.548 -2.749 1.00 0.00 C ATOM 1730 CG ASP A 119 -0.853 -29.705 -2.719 1.00 0.00 C ATOM 1731 OD1 ASP A 119 -0.480 -30.184 -3.781 1.00 0.00 O ATOM 1732 OD2 ASP A 119 -0.466 -30.093 -1.629 1.00 0.00 O ATOM 0 H ASP A 119 -3.828 -27.035 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.040 -27.733 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -1.535 -27.752 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.831 -28.892 -2.385 1.00 0.00 H new ATOM 1737 N PRO A 120 -2.221 -29.055 -6.354 1.00 0.00 N ATOM 1738 CA PRO A 120 -2.769 -30.039 -7.323 1.00 0.00 C ATOM 1739 C PRO A 120 -2.260 -31.449 -7.009 1.00 0.00 C ATOM 1740 O PRO A 120 -1.151 -31.628 -6.543 1.00 0.00 O ATOM 1741 CB PRO A 120 -2.242 -29.553 -8.671 1.00 0.00 C ATOM 1742 CG PRO A 120 -1.013 -28.770 -8.344 1.00 0.00 C ATOM 1743 CD PRO A 120 -1.236 -28.159 -6.985 1.00 0.00 C ATOM 0 HA PRO A 120 -3.857 -30.101 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -2.013 -30.390 -9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -2.979 -28.935 -9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -0.134 -29.414 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -0.837 -27.997 -9.092 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -0.311 -28.113 -6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -1.614 -27.140 -7.062 1.00 0.00 H new ATOM 1751 N GLU A 121 -3.065 -32.446 -7.268 1.00 0.00 N ATOM 1752 CA GLU A 121 -2.643 -33.853 -6.998 1.00 0.00 C ATOM 1753 C GLU A 121 -2.896 -34.729 -8.235 1.00 0.00 C ATOM 1754 O GLU A 121 -3.739 -34.405 -9.048 1.00 0.00 O ATOM 1755 CB GLU A 121 -3.508 -34.313 -5.826 1.00 0.00 C ATOM 1756 CG GLU A 121 -3.184 -33.471 -4.590 1.00 0.00 C ATOM 1757 CD GLU A 121 -4.113 -33.862 -3.438 1.00 0.00 C ATOM 1758 OE1 GLU A 121 -5.231 -34.267 -3.712 1.00 0.00 O ATOM 1759 OE2 GLU A 121 -3.692 -33.748 -2.299 1.00 0.00 O ATOM 0 H GLU A 121 -4.002 -32.346 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.580 -33.927 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.564 -34.215 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -3.327 -35.368 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.145 -33.622 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.300 -32.412 -4.820 1.00 0.00 H new ATOM 1766 N PRO A 122 -2.152 -35.807 -8.354 1.00 0.00 N ATOM 1767 CA PRO A 122 -2.334 -36.721 -9.513 1.00 0.00 C ATOM 1768 C PRO A 122 -3.695 -37.419 -9.464 1.00 0.00 C ATOM 1769 O PRO A 122 -4.185 -37.905 -10.466 1.00 0.00 O ATOM 1770 CB PRO A 122 -1.186 -37.718 -9.369 1.00 0.00 C ATOM 1771 CG PRO A 122 -0.851 -37.703 -7.913 1.00 0.00 C ATOM 1772 CD PRO A 122 -1.117 -36.303 -7.430 1.00 0.00 C ATOM 0 HA PRO A 122 -2.318 -36.199 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -1.483 -38.714 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -0.329 -37.425 -9.976 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -1.459 -38.424 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.191 -37.978 -7.751 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -1.465 -36.295 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -0.218 -35.688 -7.468 1.00 0.00 H new ATOM 1780 N CYS A 123 -4.311 -37.475 -8.306 1.00 0.00 N ATOM 1781 CA CYS A 123 -5.643 -38.144 -8.193 1.00 0.00 C ATOM 1782 C CYS A 123 -6.757 -37.165 -8.601 1.00 0.00 C ATOM 1783 O CYS A 123 -6.638 -35.978 -8.376 1.00 0.00 O ATOM 1784 CB CYS A 123 -5.774 -38.519 -6.717 1.00 0.00 C ATOM 1785 SG CYS A 123 -4.497 -39.729 -6.288 1.00 0.00 S ATOM 0 H CYS A 123 -3.947 -37.086 -7.436 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.727 -39.015 -8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.672 -37.630 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.763 -38.933 -6.522 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.605 -40.048 -5.032 1.00 0.00 H new ATOM 1791 N PRO A 124 -7.811 -37.688 -9.194 1.00 0.00 N ATOM 1792 CA PRO A 124 -8.935 -36.817 -9.626 1.00 0.00 C ATOM 1793 C PRO A 124 -9.674 -36.234 -8.414 1.00 0.00 C ATOM 1794 O PRO A 124 -10.344 -35.223 -8.519 1.00 0.00 O ATOM 1795 CB PRO A 124 -9.839 -37.760 -10.418 1.00 0.00 C ATOM 1796 CG PRO A 124 -9.519 -39.124 -9.901 1.00 0.00 C ATOM 1797 CD PRO A 124 -8.066 -39.104 -9.510 1.00 0.00 C ATOM 0 HA PRO A 124 -8.605 -35.959 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -10.891 -37.517 -10.268 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -9.645 -37.688 -11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -10.147 -39.372 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -9.705 -39.881 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -7.873 -39.747 -8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -7.428 -39.455 -10.321 1.00 0.00 H new ATOM 1805 N ASP A 125 -9.553 -36.858 -7.267 1.00 0.00 N ATOM 1806 CA ASP A 125 -10.244 -36.334 -6.050 1.00 0.00 C ATOM 1807 C ASP A 125 -9.466 -36.732 -4.792 1.00 0.00 C ATOM 1808 O ASP A 125 -8.816 -37.760 -4.755 1.00 0.00 O ATOM 1809 CB ASP A 125 -11.624 -37.002 -6.063 1.00 0.00 C ATOM 1810 CG ASP A 125 -12.549 -36.339 -5.031 1.00 0.00 C ATOM 1811 OD1 ASP A 125 -12.060 -35.578 -4.210 1.00 0.00 O ATOM 1812 OD2 ASP A 125 -13.739 -36.607 -5.081 1.00 0.00 O ATOM 0 H ASP A 125 -9.006 -37.707 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 125 -10.317 -35.246 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -12.063 -36.925 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -11.523 -38.064 -5.841 1.00 0.00 H new ATOM 1817 N SER A 126 -9.534 -35.929 -3.760 1.00 0.00 N ATOM 1818 CA SER A 126 -8.805 -36.258 -2.499 1.00 0.00 C ATOM 1819 C SER A 126 -9.511 -35.628 -1.296 1.00 0.00 C ATOM 1820 O SER A 126 -10.245 -34.667 -1.431 1.00 0.00 O ATOM 1821 CB SER A 126 -7.415 -35.651 -2.678 1.00 0.00 C ATOM 1822 OG SER A 126 -7.531 -34.237 -2.771 1.00 0.00 O ATOM 0 H SER A 126 -10.064 -35.058 -3.737 1.00 0.00 H new ATOM 0 HA SER A 126 -8.764 -37.332 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.776 -35.921 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.944 -36.049 -3.577 1.00 0.00 H new ATOM 0 HG SER A 126 -6.678 -33.858 -3.070 1.00 0.00 H new ATOM 1828 N ASP A 127 -9.288 -36.160 -0.121 1.00 0.00 N ATOM 1829 CA ASP A 127 -9.935 -35.591 1.099 1.00 0.00 C ATOM 1830 C ASP A 127 -8.943 -35.589 2.267 1.00 0.00 C ATOM 1831 O ASP A 127 -8.939 -36.488 3.087 1.00 0.00 O ATOM 1832 CB ASP A 127 -11.113 -36.524 1.396 1.00 0.00 C ATOM 1833 CG ASP A 127 -11.930 -35.991 2.582 1.00 0.00 C ATOM 1834 OD1 ASP A 127 -11.456 -35.091 3.261 1.00 0.00 O ATOM 1835 OD2 ASP A 127 -13.020 -36.497 2.794 1.00 0.00 O ATOM 0 H ASP A 127 -8.685 -36.965 0.046 1.00 0.00 H new ATOM 0 HA ASP A 127 -10.260 -34.561 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -11.750 -36.608 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -10.745 -37.525 1.620 1.00 0.00 H new ATOM 1840 N GLN A 128 -8.106 -34.584 2.347 1.00 0.00 N ATOM 1841 CA GLN A 128 -7.112 -34.524 3.464 1.00 0.00 C ATOM 1842 C GLN A 128 -7.021 -33.093 4.009 1.00 0.00 C ATOM 1843 O GLN A 128 -7.109 -32.130 3.272 1.00 0.00 O ATOM 1844 CB GLN A 128 -5.783 -34.938 2.831 1.00 0.00 C ATOM 1845 CG GLN A 128 -5.870 -36.393 2.363 1.00 0.00 C ATOM 1846 CD GLN A 128 -4.573 -36.777 1.648 1.00 0.00 C ATOM 1847 OE1 GLN A 128 -3.494 -36.528 2.146 1.00 0.00 O ATOM 1848 NE2 GLN A 128 -4.634 -37.379 0.491 1.00 0.00 N ATOM 0 H GLN A 128 -8.068 -33.805 1.690 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.386 -35.169 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.552 -34.287 1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -4.974 -34.825 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.036 -37.051 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -6.719 -36.520 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -5.540 -37.588 0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -3.775 -37.640 0.006 1.00 0.00 H new ATOM 1857 N GLU A 129 -6.827 -32.954 5.300 1.00 0.00 N ATOM 1858 CA GLU A 129 -6.724 -31.590 5.916 1.00 0.00 C ATOM 1859 C GLU A 129 -7.911 -30.696 5.513 1.00 0.00 C ATOM 1860 O GLU A 129 -7.715 -29.581 5.072 1.00 0.00 O ATOM 1861 CB GLU A 129 -5.405 -31.011 5.388 1.00 0.00 C ATOM 1862 CG GLU A 129 -4.235 -31.860 5.890 1.00 0.00 C ATOM 1863 CD GLU A 129 -2.927 -31.347 5.283 1.00 0.00 C ATOM 1864 OE1 GLU A 129 -2.963 -30.865 4.162 1.00 0.00 O ATOM 1865 OE2 GLU A 129 -1.910 -31.444 5.950 1.00 0.00 O ATOM 0 H GLU A 129 -6.735 -33.729 5.956 1.00 0.00 H new ATOM 0 HA GLU A 129 -6.746 -31.642 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.414 -30.994 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -5.289 -29.980 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.183 -31.818 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.388 -32.904 5.618 1.00 0.00 H new ATOM 1872 N PRO A 130 -9.116 -31.213 5.659 1.00 0.00 N ATOM 1873 CA PRO A 130 -10.319 -30.421 5.293 1.00 0.00 C ATOM 1874 C PRO A 130 -10.516 -29.259 6.269 1.00 0.00 C ATOM 1875 O PRO A 130 -10.158 -29.346 7.429 1.00 0.00 O ATOM 1876 CB PRO A 130 -11.461 -31.428 5.395 1.00 0.00 C ATOM 1877 CG PRO A 130 -10.973 -32.465 6.353 1.00 0.00 C ATOM 1878 CD PRO A 130 -9.479 -32.539 6.189 1.00 0.00 C ATOM 0 HA PRO A 130 -10.249 -29.970 4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -12.374 -30.955 5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -11.691 -31.865 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -11.237 -32.200 7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -11.433 -33.431 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -8.982 -32.740 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.191 -33.336 5.504 1.00 0.00 H new ATOM 1886 N LYS A 131 -11.089 -28.177 5.809 1.00 0.00 N ATOM 1887 CA LYS A 131 -11.315 -27.003 6.703 1.00 0.00 C ATOM 1888 C LYS A 131 -12.708 -27.081 7.334 1.00 0.00 C ATOM 1889 O LYS A 131 -12.896 -26.755 8.490 1.00 0.00 O ATOM 1890 CB LYS A 131 -11.208 -25.781 5.791 1.00 0.00 C ATOM 1891 CG LYS A 131 -9.788 -25.686 5.228 1.00 0.00 C ATOM 1892 CD LYS A 131 -9.688 -24.479 4.293 1.00 0.00 C ATOM 1893 CE LYS A 131 -8.244 -24.323 3.808 1.00 0.00 C ATOM 1894 NZ LYS A 131 -7.966 -25.551 3.010 1.00 0.00 N ATOM 0 H LYS A 131 -11.411 -28.056 4.849 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.596 -26.963 7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.929 -25.857 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.451 -24.876 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.069 -25.590 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.538 -26.599 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.356 -24.609 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -10.007 -23.576 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -8.127 -23.425 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -7.554 -24.234 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -7.225 -25.349 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -7.645 -26.311 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -8.833 -25.851 2.521 1.00 0.00 H new TER 1908 LYS A 131 HETATM 1909 C1 NAG A 132 -3.213 -4.173 10.502 1.00 0.00 C HETATM 1910 C2 NAG A 132 -1.777 -3.818 10.887 1.00 0.00 C HETATM 1911 C3 NAG A 132 -1.183 -4.888 11.796 1.00 0.00 C HETATM 1912 C4 NAG A 132 -2.111 -5.189 12.969 1.00 0.00 C HETATM 1913 C5 NAG A 132 -3.534 -5.456 12.481 1.00 0.00 C HETATM 1914 C6 NAG A 132 -4.517 -5.629 13.622 1.00 0.00 C HETATM 1915 C7 NAG A 132 -0.173 -2.652 9.536 1.00 0.00 C HETATM 1916 C8 NAG A 132 -0.165 -1.963 8.178 1.00 0.00 C HETATM 1917 N2 NAG A 132 -0.962 -3.689 9.692 1.00 0.00 N HETATM 1918 O3 NAG A 132 0.076 -4.452 12.287 1.00 0.00 O HETATM 1919 O4 NAG A 132 -1.624 -6.348 13.672 1.00 0.00 O HETATM 1920 O5 NAG A 132 -4.007 -4.362 11.673 1.00 0.00 O HETATM 1921 O6 NAG A 132 -4.357 -4.554 14.575 1.00 0.00 O HETATM 1922 O7 NAG A 132 0.526 -2.256 10.448 1.00 0.00 O HETATM 0 HO3 NAG A 132 0.350 -3.640 11.811 1.00 0.00 H new HETATM 0 HN2 NAG A 132 -1.003 -4.408 8.970 1.00 0.00 H new HETATM 0 H83 NAG A 132 0.144 -2.674 7.411 1.00 0.00 H new HETATM 0 H82 NAG A 132 -1.166 -1.596 7.950 1.00 0.00 H new HETATM 0 H81 NAG A 132 0.533 -1.126 8.199 1.00 0.00 H new HETATM 0 H62 NAG A 132 -5.537 -5.637 13.237 1.00 0.00 H new HETATM 0 H61 NAG A 132 -4.354 -6.589 14.112 1.00 0.00 H new HETATM 0 H5 NAG A 132 -3.483 -6.380 11.905 1.00 0.00 H new HETATM 0 H4 NAG A 132 -2.128 -4.324 13.632 1.00 0.00 H new HETATM 0 H3 NAG A 132 -1.058 -5.801 11.213 1.00 0.00 H new HETATM 0 H2 NAG A 132 -1.790 -2.869 11.424 1.00 0.00 H new HETATM 1935 C1 NAG A 133 -1.370 -6.196 15.025 1.00 0.00 C HETATM 1936 C2 NAG A 133 -0.625 -7.422 15.542 1.00 0.00 C HETATM 1937 C3 NAG A 133 -0.232 -7.230 17.002 1.00 0.00 C HETATM 1938 C4 NAG A 133 0.513 -5.912 17.185 1.00 0.00 C HETATM 1939 C5 NAG A 133 -0.283 -4.757 16.581 1.00 0.00 C HETATM 1940 C6 NAG A 133 0.481 -3.449 16.633 1.00 0.00 C HETATM 1941 C7 NAG A 133 -1.724 -9.085 14.230 1.00 0.00 C HETATM 1942 C8 NAG A 133 -3.153 -8.965 13.727 1.00 0.00 C HETATM 1943 N2 NAG A 133 -1.462 -8.598 15.412 1.00 0.00 N HETATM 1944 O3 NAG A 133 0.597 -8.306 17.418 1.00 0.00 O HETATM 1945 O4 NAG A 133 0.725 -5.669 18.589 1.00 0.00 O HETATM 1946 O5 NAG A 133 -0.573 -5.022 15.196 1.00 0.00 O HETATM 1947 O6 NAG A 133 0.063 -2.569 15.599 1.00 0.00 O HETATM 1948 O7 NAG A 133 -0.857 -9.612 13.560 1.00 0.00 O HETATM 0 HO6 NAG A 133 -0.198 -3.090 14.811 1.00 0.00 H new HETATM 0 HO3 NAG A 133 0.719 -8.268 18.390 1.00 0.00 H new HETATM 0 HN2 NAG A 133 -1.846 -9.045 16.244 1.00 0.00 H new HETATM 0 H83 NAG A 133 -3.824 -9.486 14.410 1.00 0.00 H new HETATM 0 H82 NAG A 133 -3.433 -7.913 13.675 1.00 0.00 H new HETATM 0 H81 NAG A 133 -3.228 -9.410 12.735 1.00 0.00 H new HETATM 0 H62 NAG A 133 0.329 -2.974 17.602 1.00 0.00 H new HETATM 0 H61 NAG A 133 1.549 -3.645 16.538 1.00 0.00 H new HETATM 0 H5 NAG A 133 -1.196 -4.671 17.171 1.00 0.00 H new HETATM 0 H4 NAG A 133 1.473 -5.980 16.674 1.00 0.00 H new HETATM 0 H3 NAG A 133 -1.138 -7.209 17.608 1.00 0.00 H new HETATM 0 H2 NAG A 133 0.280 -7.555 14.949 1.00 0.00 H new HETATM 1962 C1 FUL A 134 -5.360 -4.557 15.557 1.00 0.00 C HETATM 1963 C2 FUL A 134 -5.210 -5.817 16.411 1.00 0.00 C HETATM 1964 O2 FUL A 134 -3.964 -5.809 17.095 1.00 0.00 O HETATM 1965 C3 FUL A 134 -6.344 -5.900 17.428 1.00 0.00 C HETATM 1966 O3 FUL A 134 -6.255 -7.126 18.139 1.00 0.00 O HETATM 1967 C4 FUL A 134 -7.688 -5.821 16.715 1.00 0.00 C HETATM 1968 O4 FUL A 134 -7.875 -6.991 15.932 1.00 0.00 O HETATM 1969 C5 FUL A 134 -7.747 -4.594 15.810 1.00 0.00 C HETATM 1970 C6 FUL A 134 -9.002 -4.569 14.960 1.00 0.00 C HETATM 1971 O5 FUL A 134 -6.625 -4.590 14.908 1.00 0.00 O HETATM 0 HO4 FUL A 134 -8.832 -7.194 15.870 1.00 0.00 H new HETATM 0 HO3 FUL A 134 -6.886 -7.772 17.758 1.00 0.00 H new HETATM 0 HO2 FUL A 134 -3.884 -6.621 17.638 1.00 0.00 H new HETATM 0 H63 FUL A 134 -9.031 -5.457 14.328 1.00 0.00 H new HETATM 0 H62 FUL A 134 -9.879 -4.555 15.607 1.00 0.00 H new HETATM 0 H61 FUL A 134 -8.999 -3.677 14.333 1.00 0.00 H new HETATM 0 H5 FUL A 134 -7.736 -3.725 16.468 1.00 0.00 H new HETATM 0 H4 FUL A 134 -8.476 -5.742 17.464 1.00 0.00 H new HETATM 0 H3 FUL A 134 -6.260 -5.067 18.126 1.00 0.00 H new HETATM 0 H2 FUL A 134 -5.249 -6.684 15.752 1.00 0.00 H new HETATM 1983 C1 BMA A 135 1.984 -5.973 19.082 1.00 0.00 C HETATM 1984 C2 BMA A 135 2.732 -4.681 19.396 1.00 0.00 C HETATM 1985 C3 BMA A 135 4.075 -4.989 20.048 1.00 0.00 C HETATM 1986 C4 BMA A 135 3.881 -5.908 21.248 1.00 0.00 C HETATM 1987 C5 BMA A 135 3.071 -7.141 20.854 1.00 0.00 C HETATM 1988 C6 BMA A 135 2.752 -8.024 22.043 1.00 0.00 C HETATM 1989 O2 BMA A 135 1.952 -3.876 20.267 1.00 0.00 O HETATM 1990 O3 BMA A 135 4.691 -3.781 20.467 1.00 0.00 O HETATM 1991 O4 BMA A 135 5.147 -6.313 21.746 1.00 0.00 O HETATM 1992 O5 BMA A 135 1.814 -6.749 20.270 1.00 0.00 O HETATM 1993 O6 BMA A 135 3.929 -8.617 22.573 1.00 0.00 O HETATM 0 HO6 BMA A 135 3.695 -9.180 23.340 1.00 0.00 H new HETATM 0 HO4 BMA A 135 5.068 -7.199 22.158 1.00 0.00 H new HETATM 0 HO3 BMA A 135 4.001 -3.130 20.712 1.00 0.00 H new HETATM 0 HO2 BMA A 135 1.008 -4.128 20.188 1.00 0.00 H new HETATM 0 H62 BMA A 135 2.259 -7.434 22.816 1.00 0.00 H new HETATM 0 H61 BMA A 135 2.052 -8.804 21.743 1.00 0.00 H new HETATM 0 H5 BMA A 135 3.686 -7.694 20.144 1.00 0.00 H new HETATM 0 H4 BMA A 135 3.338 -5.364 22.020 1.00 0.00 H new HETATM 0 H3 BMA A 135 4.713 -5.489 19.320 1.00 0.00 H new HETATM 0 H2 BMA A 135 2.909 -4.144 18.464 1.00 0.00 H new HETATM 2005 C1 NAG A 136 -0.527 -7.622 -12.051 1.00 0.00 C HETATM 2006 C2 NAG A 136 -1.304 -8.776 -12.668 1.00 0.00 C HETATM 2007 C3 NAG A 136 -0.426 -9.534 -13.650 1.00 0.00 C HETATM 2008 C4 NAG A 136 0.175 -8.579 -14.675 1.00 0.00 C HETATM 2009 C5 NAG A 136 0.846 -7.375 -13.994 1.00 0.00 C HETATM 2010 C6 NAG A 136 1.282 -6.310 -14.987 1.00 0.00 C HETATM 2011 C7 NAG A 136 -2.611 -10.624 -11.910 1.00 0.00 C HETATM 2012 C8 NAG A 136 -4.087 -10.334 -11.688 1.00 0.00 C HETATM 2013 N2 NAG A 136 -1.765 -9.672 -11.626 1.00 0.00 N HETATM 2014 O3 NAG A 136 -1.200 -10.520 -14.317 1.00 0.00 O HETATM 2015 O4 NAG A 136 1.082 -9.307 -15.543 1.00 0.00 O HETATM 2016 O5 NAG A 136 -0.065 -6.738 -13.076 1.00 0.00 O HETATM 2017 O6 NAG A 136 0.122 -5.722 -15.611 1.00 0.00 O HETATM 2018 O7 NAG A 136 -2.233 -11.697 -12.335 1.00 0.00 O HETATM 0 HO3 NAG A 136 -1.353 -11.278 -13.715 1.00 0.00 H new HETATM 0 HN2 NAG A 136 -1.428 -9.558 -10.670 1.00 0.00 H new HETATM 0 H83 NAG A 136 -4.258 -10.099 -10.637 1.00 0.00 H new HETATM 0 H82 NAG A 136 -4.388 -9.486 -12.303 1.00 0.00 H new HETATM 0 H81 NAG A 136 -4.675 -11.209 -11.964 1.00 0.00 H new HETATM 0 H62 NAG A 136 1.862 -5.540 -14.478 1.00 0.00 H new HETATM 0 H61 NAG A 136 1.931 -6.749 -15.745 1.00 0.00 H new HETATM 0 H5 NAG A 136 1.720 -7.777 -13.480 1.00 0.00 H new HETATM 0 H4 NAG A 136 -0.622 -8.167 -15.293 1.00 0.00 H new HETATM 0 H3 NAG A 136 0.383 -10.013 -13.099 1.00 0.00 H new HETATM 0 H2 NAG A 136 -2.165 -8.375 -13.203 1.00 0.00 H new HETATM 2031 C1 NAG A 137 2.459 -9.166 -15.438 1.00 0.00 C HETATM 2032 C2 NAG A 137 3.052 -10.397 -14.742 1.00 0.00 C HETATM 2033 C3 NAG A 137 4.584 -10.430 -14.842 1.00 0.00 C HETATM 2034 C4 NAG A 137 5.064 -10.148 -16.261 1.00 0.00 C HETATM 2035 C5 NAG A 137 4.397 -8.892 -16.800 1.00 0.00 C HETATM 2036 C6 NAG A 137 4.782 -8.618 -18.241 1.00 0.00 C HETATM 2037 C7 NAG A 137 3.109 -9.482 -12.532 1.00 0.00 C HETATM 2038 C8 NAG A 137 2.867 -9.689 -11.051 1.00 0.00 C HETATM 2039 N2 NAG A 137 2.661 -10.406 -13.343 1.00 0.00 N HETATM 2040 O3 NAG A 137 5.063 -11.700 -14.425 1.00 0.00 O HETATM 2041 O4 NAG A 137 6.493 -9.967 -16.257 1.00 0.00 O HETATM 2042 O5 NAG A 137 2.969 -9.042 -16.768 1.00 0.00 O HETATM 2043 O6 NAG A 137 4.091 -7.488 -18.751 1.00 0.00 O HETATM 2044 O7 NAG A 137 3.687 -8.498 -12.946 1.00 0.00 O HETATM 0 HO6 NAG A 137 3.250 -7.370 -18.261 1.00 0.00 H new HETATM 0 HO3 NAG A 137 6.033 -11.743 -14.557 1.00 0.00 H new HETATM 0 HN2 NAG A 137 2.037 -11.133 -12.993 1.00 0.00 H new HETATM 0 H83 NAG A 137 1.795 -9.749 -10.862 1.00 0.00 H new HETATM 0 H82 NAG A 137 3.344 -10.615 -10.730 1.00 0.00 H new HETATM 0 H81 NAG A 137 3.288 -8.852 -10.493 1.00 0.00 H new HETATM 0 H62 NAG A 137 5.857 -8.451 -18.307 1.00 0.00 H new HETATM 0 H61 NAG A 137 4.557 -9.492 -18.853 1.00 0.00 H new HETATM 0 H5 NAG A 137 4.729 -8.067 -16.169 1.00 0.00 H new HETATM 0 H4 NAG A 137 4.801 -10.992 -16.899 1.00 0.00 H new HETATM 0 H3 NAG A 137 4.977 -9.648 -14.192 1.00 0.00 H new HETATM 0 H2 NAG A 137 2.663 -11.280 -15.248 1.00 0.00 H new HETATM 2058 C1 FUC A 138 0.229 -5.692 -17.007 1.00 0.00 C HETATM 2059 C2 FUC A 138 -0.951 -4.924 -17.572 1.00 0.00 C HETATM 2060 C3 FUC A 138 -0.957 -3.554 -16.896 1.00 0.00 C HETATM 2061 C4 FUC A 138 0.395 -2.850 -17.103 1.00 0.00 C HETATM 2062 C5 FUC A 138 1.589 -3.763 -16.778 1.00 0.00 C HETATM 2063 C6 FUC A 138 2.905 -3.193 -17.269 1.00 0.00 C HETATM 2064 O2 FUC A 138 -2.162 -5.615 -17.302 1.00 0.00 O HETATM 2065 O3 FUC A 138 -1.994 -2.758 -17.452 1.00 0.00 O HETATM 2066 O4 FUC A 138 0.495 -2.427 -18.455 1.00 0.00 O HETATM 2067 O5 FUC A 138 1.412 -5.039 -17.418 1.00 0.00 O HETATM 0 HO4 FUC A 138 1.048 -1.619 -18.505 1.00 0.00 H new HETATM 0 HO3 FUC A 138 -1.616 -2.146 -18.117 1.00 0.00 H new HETATM 0 HO2 FUC A 138 -2.916 -5.109 -17.670 1.00 0.00 H new HETATM 0 H63 FUC A 138 2.865 -3.065 -18.351 1.00 0.00 H new HETATM 0 H62 FUC A 138 3.082 -2.227 -16.796 1.00 0.00 H new HETATM 0 H61 FUC A 138 3.715 -3.876 -17.014 1.00 0.00 H new HETATM 0 H5 FUC A 138 1.624 -3.855 -15.692 1.00 0.00 H new HETATM 0 H4 FUC A 138 0.431 -2.001 -16.420 1.00 0.00 H new HETATM 0 H3 FUC A 138 -1.126 -3.688 -15.827 1.00 0.00 H new HETATM 0 H2 FUC A 138 -0.866 -4.821 -18.654 1.00 0.00 H new HETATM 2079 C1 BMA A 139 7.251 -11.040 -16.697 1.00 0.00 C HETATM 2080 C2 BMA A 139 8.579 -10.531 -17.247 1.00 0.00 C HETATM 2081 C3 BMA A 139 9.477 -11.700 -17.635 1.00 0.00 C HETATM 2082 C4 BMA A 139 9.613 -12.672 -16.467 1.00 0.00 C HETATM 2083 C5 BMA A 139 8.237 -13.073 -15.940 1.00 0.00 C HETATM 2084 C6 BMA A 139 8.329 -13.941 -14.701 1.00 0.00 C HETATM 2085 O2 BMA A 139 9.230 -9.735 -16.267 1.00 0.00 O HETATM 2086 O3 BMA A 139 10.760 -11.216 -18.004 1.00 0.00 O HETATM 2087 O4 BMA A 139 10.314 -13.830 -16.892 1.00 0.00 O HETATM 2088 O5 BMA A 139 7.476 -11.905 -15.582 1.00 0.00 O HETATM 2089 O6 BMA A 139 9.249 -13.402 -13.763 1.00 0.00 O HETATM 0 HO6 BMA A 139 9.288 -13.981 -12.973 1.00 0.00 H new HETATM 0 HO4 BMA A 139 10.680 -14.296 -16.111 1.00 0.00 H new HETATM 0 HO3 BMA A 139 11.335 -11.970 -18.251 1.00 0.00 H new HETATM 0 HO2 BMA A 139 10.199 -9.773 -16.406 1.00 0.00 H new HETATM 0 H62 BMA A 139 7.345 -14.027 -14.240 1.00 0.00 H new HETATM 0 H61 BMA A 139 8.639 -14.948 -14.981 1.00 0.00 H new HETATM 0 H5 BMA A 139 7.755 -13.631 -16.743 1.00 0.00 H new HETATM 0 H4 BMA A 139 10.165 -12.181 -15.666 1.00 0.00 H new HETATM 0 H3 BMA A 139 9.029 -12.223 -18.480 1.00 0.00 H new HETATM 0 H2 BMA A 139 8.382 -9.929 -18.134 1.00 0.00 H new