USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= 0.252 K(o=0.33,f=-1.5) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -134:sc= 0.0829 (180deg=-0.176) USER MOD Set 2.1: A 64 MET CE :methyl 164:sc= -0.0203 (180deg=-0.2) USER MOD Set 2.2: A 68 GLN : amide:sc= -0.0646 X(o=-0.085,f=-0.085) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -139:sc= 0.0852 (180deg=0) USER MOD Set 3.2: A 50 GLN : amide:sc= -2.36! K(o=-2.3!,f=-0.97) USER MOD Set 4.1: A 11 THR OG1 : rot 81:sc= 0.664 USER MOD Set 4.2: A 40 ASN : amide:sc= -0.295 K(o=1.4,f=-6.4!) USER MOD Set 4.3: A 59 GLN : amide:sc= 1.03 K(o=1.4,f=-3.2!) USER MOD Set 5.1: A 1 MET N :NH3+ 161:sc= 0.00752 (180deg=-0.457) USER MOD Set 5.2: A 3 HIS : no HE2:sc= -0.706 K(o=-0.7,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-1.2!) USER MOD Single : A 6 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.27) USER MOD Single : A 7 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=-0.015) USER MOD Single : A 8 HIS : no HD1:sc= -0.043 X(o=-0.043,f=-0.015) USER MOD Single : A 9 MET CE :methyl 176:sc= -0.0112 (180deg=-0.0205) USER MOD Single : A 20 HIS : no HE2:sc= -1.19! C(o=-1.2!,f=-4.9!) USER MOD Single : A 21 THR OG1 : rot -100:sc= -2.24! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 173:sc=-0.00116 (180deg=-0.0186) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 39 ASN : amide:sc= 0.556 K(o=0.56,f=-6.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.022) USER MOD Single : A 49 THR OG1 : rot 96:sc= 0.0531 USER MOD Single : A 51 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3.6!) USER MOD Single : A 52 ASN : amide:sc= -4.58! C(o=-4.6!,f=-6.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 74 GLN : amide:sc= -3.27 K(o=-3.3,f=-4.5) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= -0.294 (180deg=-0.968) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -53:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.935 28.085 -10.750 1.00 1.00 N ATOM 2 CA MET A 1 7.364 29.201 -9.861 1.00 1.00 C ATOM 3 C MET A 1 7.495 28.688 -8.431 1.00 1.00 C ATOM 4 O MET A 1 7.250 29.420 -7.473 1.00 1.00 O ATOM 5 CB MET A 1 6.325 30.323 -9.918 1.00 1.00 C ATOM 6 CG MET A 1 6.473 31.089 -11.234 1.00 1.00 C ATOM 7 SD MET A 1 5.114 32.274 -11.400 1.00 1.00 S ATOM 8 CE MET A 1 5.417 32.727 -13.125 1.00 1.00 C ATOM 0 H1 MET A 1 6.539 28.474 -11.629 1.00 1.00 H new ATOM 0 H2 MET A 1 7.755 27.486 -10.975 1.00 1.00 H new ATOM 0 H3 MET A 1 6.211 27.515 -10.267 1.00 1.00 H new ATOM 0 HA MET A 1 8.328 29.586 -10.193 1.00 1.00 H new ATOM 0 HB2 MET A 1 5.321 29.907 -9.838 1.00 1.00 H new ATOM 0 HB3 MET A 1 6.458 31.000 -9.074 1.00 1.00 H new ATOM 0 HG2 MET A 1 7.430 31.611 -11.257 1.00 1.00 H new ATOM 0 HG3 MET A 1 6.468 30.394 -12.074 1.00 1.00 H new ATOM 0 HE1 MET A 1 4.679 33.463 -13.443 1.00 1.00 H new ATOM 0 HE2 MET A 1 6.417 33.151 -13.220 1.00 1.00 H new ATOM 0 HE3 MET A 1 5.338 31.840 -13.753 1.00 1.00 H new ATOM 20 N GLY A 2 7.884 27.424 -8.295 1.00 1.00 N ATOM 21 CA GLY A 2 8.046 26.822 -6.976 1.00 1.00 C ATOM 22 C GLY A 2 6.777 26.092 -6.551 1.00 1.00 C ATOM 23 O GLY A 2 5.712 26.697 -6.430 1.00 1.00 O ATOM 0 H GLY A 2 8.092 26.801 -9.075 1.00 1.00 H new ATOM 0 HA2 GLY A 2 8.884 26.125 -6.991 1.00 1.00 H new ATOM 0 HA3 GLY A 2 8.287 27.595 -6.246 1.00 1.00 H new ATOM 27 N HIS A 3 6.896 24.787 -6.329 1.00 1.00 N ATOM 28 CA HIS A 3 5.751 23.983 -5.918 1.00 1.00 C ATOM 29 C HIS A 3 6.184 22.885 -4.953 1.00 1.00 C ATOM 30 O HIS A 3 6.848 23.151 -3.952 1.00 1.00 O ATOM 31 CB HIS A 3 5.088 23.355 -7.144 1.00 1.00 C ATOM 32 CG HIS A 3 4.741 24.433 -8.134 1.00 1.00 C ATOM 33 ND1 HIS A 3 3.539 25.119 -8.088 1.00 1.00 N ATOM 34 CD2 HIS A 3 5.428 24.953 -9.203 1.00 1.00 C ATOM 35 CE1 HIS A 3 3.537 26.006 -9.101 1.00 1.00 C ATOM 36 NE2 HIS A 3 4.666 25.946 -9.812 1.00 1.00 N ATOM 0 H HIS A 3 7.768 24.266 -6.426 1.00 1.00 H new ATOM 0 HA HIS A 3 5.038 24.634 -5.412 1.00 1.00 H new ATOM 0 HB2 HIS A 3 5.760 22.629 -7.602 1.00 1.00 H new ATOM 0 HB3 HIS A 3 4.189 22.815 -6.848 1.00 1.00 H new ATOM 0 HD1 HIS A 3 2.791 24.978 -7.410 1.00 1.00 H new ATOM 0 HD2 HIS A 3 6.411 24.639 -9.523 1.00 1.00 H new ATOM 0 HE1 HIS A 3 2.722 26.683 -9.313 1.00 1.00 H new ATOM 44 N HIS A 4 5.804 21.649 -5.261 1.00 1.00 N ATOM 45 CA HIS A 4 6.158 20.517 -4.412 1.00 1.00 C ATOM 46 C HIS A 4 5.710 20.764 -2.976 1.00 1.00 C ATOM 47 O HIS A 4 6.294 21.582 -2.264 1.00 1.00 O ATOM 48 CB HIS A 4 7.671 20.290 -4.448 1.00 1.00 C ATOM 49 CG HIS A 4 7.971 19.046 -5.237 1.00 1.00 C ATOM 50 ND1 HIS A 4 8.587 17.941 -4.669 1.00 1.00 N ATOM 51 CD2 HIS A 4 7.745 18.715 -6.550 1.00 1.00 C ATOM 52 CE1 HIS A 4 8.707 17.006 -5.630 1.00 1.00 C ATOM 53 NE2 HIS A 4 8.208 17.427 -6.795 1.00 1.00 N ATOM 0 H HIS A 4 5.255 21.407 -6.086 1.00 1.00 H new ATOM 0 HA HIS A 4 5.650 19.630 -4.790 1.00 1.00 H new ATOM 0 HB2 HIS A 4 8.168 21.149 -4.899 1.00 1.00 H new ATOM 0 HB3 HIS A 4 8.060 20.193 -3.434 1.00 1.00 H new ATOM 0 HD2 HIS A 4 7.278 19.358 -7.282 1.00 1.00 H new ATOM 0 HE1 HIS A 4 9.152 16.034 -5.477 1.00 1.00 H new ATOM 0 HE2 HIS A 4 8.174 16.914 -7.676 1.00 1.00 H new ATOM 61 N HIS A 5 4.669 20.052 -2.556 1.00 1.00 N ATOM 62 CA HIS A 5 4.148 20.201 -1.202 1.00 1.00 C ATOM 63 C HIS A 5 4.990 19.401 -0.213 1.00 1.00 C ATOM 64 O HIS A 5 5.793 18.555 -0.608 1.00 1.00 O ATOM 65 CB HIS A 5 2.697 19.724 -1.145 1.00 1.00 C ATOM 66 CG HIS A 5 2.213 19.421 -2.538 1.00 1.00 C ATOM 67 ND1 HIS A 5 1.595 18.223 -2.860 1.00 1.00 N ATOM 68 CD2 HIS A 5 2.252 20.148 -3.700 1.00 1.00 C ATOM 69 CE1 HIS A 5 1.288 18.265 -4.170 1.00 1.00 C ATOM 70 NE2 HIS A 5 1.667 19.417 -4.730 1.00 1.00 N ATOM 0 H HIS A 5 4.172 19.370 -3.130 1.00 1.00 H new ATOM 0 HA HIS A 5 4.193 21.255 -0.929 1.00 1.00 H new ATOM 0 HB2 HIS A 5 2.620 18.834 -0.520 1.00 1.00 H new ATOM 0 HB3 HIS A 5 2.069 20.489 -0.689 1.00 1.00 H new ATOM 0 HD2 HIS A 5 2.673 21.138 -3.801 1.00 1.00 H new ATOM 0 HE1 HIS A 5 0.796 17.465 -4.703 1.00 1.00 H new ATOM 0 HE2 HIS A 5 1.552 19.700 -5.703 1.00 1.00 H new ATOM 78 N HIS A 6 4.801 19.673 1.074 1.00 1.00 N ATOM 79 CA HIS A 6 5.548 18.973 2.112 1.00 1.00 C ATOM 80 C HIS A 6 5.212 17.485 2.104 1.00 1.00 C ATOM 81 O HIS A 6 4.370 17.032 1.327 1.00 1.00 O ATOM 82 CB HIS A 6 5.219 19.564 3.483 1.00 1.00 C ATOM 83 CG HIS A 6 6.442 19.526 4.354 1.00 1.00 C ATOM 84 ND1 HIS A 6 6.458 18.876 5.579 1.00 1.00 N ATOM 85 CD2 HIS A 6 7.700 20.053 4.194 1.00 1.00 C ATOM 86 CE1 HIS A 6 7.689 19.026 6.103 1.00 1.00 C ATOM 87 NE2 HIS A 6 8.485 19.734 5.299 1.00 1.00 N ATOM 0 H HIS A 6 4.141 20.369 1.422 1.00 1.00 H new ATOM 0 HA HIS A 6 6.612 19.095 1.910 1.00 1.00 H new ATOM 0 HB2 HIS A 6 4.870 20.591 3.373 1.00 1.00 H new ATOM 0 HB3 HIS A 6 4.411 19.000 3.949 1.00 1.00 H new ATOM 0 HD2 HIS A 6 8.030 20.627 3.341 1.00 1.00 H new ATOM 0 HE1 HIS A 6 7.995 18.623 7.057 1.00 1.00 H new ATOM 0 HE2 HIS A 6 9.460 19.987 5.460 1.00 1.00 H new ATOM 95 N HIS A 7 5.873 16.728 2.975 1.00 1.00 N ATOM 96 CA HIS A 7 5.636 15.292 3.060 1.00 1.00 C ATOM 97 C HIS A 7 4.234 15.011 3.589 1.00 1.00 C ATOM 98 O HIS A 7 3.275 14.937 2.822 1.00 1.00 O ATOM 99 CB HIS A 7 6.671 14.647 3.984 1.00 1.00 C ATOM 100 CG HIS A 7 7.892 14.276 3.189 1.00 1.00 C ATOM 101 ND1 HIS A 7 9.144 14.803 3.467 1.00 1.00 N ATOM 102 CD2 HIS A 7 8.071 13.430 2.123 1.00 1.00 C ATOM 103 CE1 HIS A 7 10.012 14.274 2.586 1.00 1.00 C ATOM 104 NE2 HIS A 7 9.410 13.430 1.744 1.00 1.00 N ATOM 0 H HIS A 7 6.572 17.083 3.627 1.00 1.00 H new ATOM 0 HA HIS A 7 5.726 14.867 2.060 1.00 1.00 H new ATOM 0 HB2 HIS A 7 6.941 15.337 4.783 1.00 1.00 H new ATOM 0 HB3 HIS A 7 6.249 13.760 4.457 1.00 1.00 H new ATOM 0 HD2 HIS A 7 7.291 12.852 1.650 1.00 1.00 H new ATOM 0 HE1 HIS A 7 11.067 14.504 2.562 1.00 1.00 H new ATOM 0 HE2 HIS A 7 9.839 12.899 0.986 1.00 1.00 H new ATOM 112 N HIS A 8 4.123 14.854 4.905 1.00 1.00 N ATOM 113 CA HIS A 8 2.834 14.580 5.525 1.00 1.00 C ATOM 114 C HIS A 8 2.165 13.379 4.862 1.00 1.00 C ATOM 115 O HIS A 8 1.515 13.514 3.824 1.00 1.00 O ATOM 116 CB HIS A 8 1.924 15.804 5.404 1.00 1.00 C ATOM 117 CG HIS A 8 2.213 16.755 6.533 1.00 1.00 C ATOM 118 ND1 HIS A 8 2.694 18.037 6.317 1.00 1.00 N ATOM 119 CD2 HIS A 8 2.095 16.624 7.895 1.00 1.00 C ATOM 120 CE1 HIS A 8 2.845 18.622 7.519 1.00 1.00 C ATOM 121 NE2 HIS A 8 2.495 17.805 8.515 1.00 1.00 N ATOM 0 H HIS A 8 4.905 14.912 5.557 1.00 1.00 H new ATOM 0 HA HIS A 8 3.000 14.354 6.578 1.00 1.00 H new ATOM 0 HB2 HIS A 8 2.087 16.299 4.446 1.00 1.00 H new ATOM 0 HB3 HIS A 8 0.878 15.498 5.431 1.00 1.00 H new ATOM 0 HD2 HIS A 8 1.745 15.740 8.407 1.00 1.00 H new ATOM 0 HE1 HIS A 8 3.206 19.630 7.661 1.00 1.00 H new ATOM 0 HE2 HIS A 8 2.516 18.003 9.515 1.00 1.00 H new ATOM 129 N MET A 9 2.330 12.208 5.468 1.00 1.00 N ATOM 130 CA MET A 9 1.740 10.987 4.929 1.00 1.00 C ATOM 131 C MET A 9 2.183 10.768 3.487 1.00 1.00 C ATOM 132 O MET A 9 1.806 11.519 2.588 1.00 1.00 O ATOM 133 CB MET A 9 0.215 11.069 4.992 1.00 1.00 C ATOM 134 CG MET A 9 -0.396 10.068 4.010 1.00 1.00 C ATOM 135 SD MET A 9 -2.094 9.691 4.510 1.00 1.00 S ATOM 136 CE MET A 9 -2.931 10.694 3.256 1.00 1.00 C ATOM 0 H MET A 9 2.864 12.078 6.327 1.00 1.00 H new ATOM 0 HA MET A 9 2.081 10.146 5.532 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.129 10.856 6.004 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.115 12.079 4.749 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.386 10.480 3.001 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.199 9.155 3.988 1.00 1.00 H new ATOM 0 HE1 MET A 9 -4.009 10.551 3.336 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.692 11.746 3.412 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.597 10.389 2.264 1.00 1.00 H new ATOM 146 N ASP A 10 2.989 9.735 3.279 1.00 1.00 N ATOM 147 CA ASP A 10 3.487 9.421 1.944 1.00 1.00 C ATOM 148 C ASP A 10 3.913 7.958 1.866 1.00 1.00 C ATOM 149 O ASP A 10 4.774 7.592 1.066 1.00 1.00 O ATOM 150 CB ASP A 10 4.675 10.323 1.608 1.00 1.00 C ATOM 151 CG ASP A 10 5.565 10.488 2.834 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.303 11.386 3.615 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.492 9.707 2.979 1.00 1.00 O ATOM 0 H ASP A 10 3.311 9.103 4.012 1.00 1.00 H new ATOM 0 HA ASP A 10 2.687 9.593 1.224 1.00 1.00 H new ATOM 0 HB2 ASP A 10 5.248 9.893 0.787 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.319 11.297 1.272 1.00 1.00 H new ATOM 158 N THR A 11 3.301 7.127 2.702 1.00 1.00 N ATOM 159 CA THR A 11 3.622 5.705 2.722 1.00 1.00 C ATOM 160 C THR A 11 2.418 4.901 3.203 1.00 1.00 C ATOM 161 O THR A 11 1.656 5.363 4.054 1.00 1.00 O ATOM 162 CB THR A 11 4.825 5.462 3.645 1.00 1.00 C ATOM 163 OG1 THR A 11 6.025 5.593 2.896 1.00 1.00 O ATOM 164 CG2 THR A 11 4.757 4.059 4.253 1.00 1.00 C ATOM 0 H THR A 11 2.585 7.411 3.370 1.00 1.00 H new ATOM 0 HA THR A 11 3.875 5.381 1.713 1.00 1.00 H new ATOM 0 HB THR A 11 4.806 6.196 4.451 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.250 6.542 2.801 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.617 3.903 4.905 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.839 3.958 4.833 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.766 3.316 3.456 1.00 1.00 H new ATOM 172 N ILE A 12 2.251 3.701 2.652 1.00 1.00 N ATOM 173 CA ILE A 12 1.133 2.844 3.031 1.00 1.00 C ATOM 174 C ILE A 12 1.635 1.593 3.741 1.00 1.00 C ATOM 175 O ILE A 12 2.832 1.300 3.736 1.00 1.00 O ATOM 176 CB ILE A 12 0.340 2.441 1.787 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.704 3.374 0.629 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.156 2.552 2.078 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.207 3.085 -0.566 1.00 1.00 C ATOM 0 H ILE A 12 2.871 3.303 1.947 1.00 1.00 H new ATOM 0 HA ILE A 12 0.487 3.400 3.710 1.00 1.00 H new ATOM 0 HB ILE A 12 0.582 1.413 1.518 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.597 4.414 0.938 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.747 3.231 0.347 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.721 2.265 1.191 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.416 1.890 2.904 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.399 3.580 2.346 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.052 3.749 -1.390 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.077 2.049 -0.880 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.246 3.250 -0.280 1.00 1.00 H new ATOM 191 N ILE A 13 0.713 0.856 4.348 1.00 1.00 N ATOM 192 CA ILE A 13 1.071 -0.367 5.055 1.00 1.00 C ATOM 193 C ILE A 13 -0.035 -1.406 4.911 1.00 1.00 C ATOM 194 O ILE A 13 -1.219 -1.087 5.016 1.00 1.00 O ATOM 195 CB ILE A 13 1.328 -0.068 6.537 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.288 -1.115 7.106 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.012 -0.109 7.322 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.349 -0.981 8.628 1.00 1.00 C ATOM 0 H ILE A 13 -0.282 1.082 4.365 1.00 1.00 H new ATOM 0 HA ILE A 13 1.984 -0.768 4.615 1.00 1.00 H new ATOM 0 HB ILE A 13 1.766 0.926 6.627 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.955 -2.116 6.832 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.282 -0.982 6.679 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.208 0.105 8.373 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.674 0.638 6.922 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.435 -1.099 7.231 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.033 -1.727 9.032 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.703 0.016 8.892 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.355 -1.136 9.047 1.00 1.00 H new ATOM 210 N LEU A 14 0.358 -2.649 4.662 1.00 1.00 N ATOM 211 CA LEU A 14 -0.611 -3.725 4.496 1.00 1.00 C ATOM 212 C LEU A 14 -0.782 -4.500 5.799 1.00 1.00 C ATOM 213 O LEU A 14 0.166 -4.649 6.572 1.00 1.00 O ATOM 214 CB LEU A 14 -0.153 -4.673 3.387 1.00 1.00 C ATOM 215 CG LEU A 14 0.481 -3.866 2.253 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.826 -4.801 1.093 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.507 -2.801 1.772 1.00 1.00 C ATOM 0 H LEU A 14 1.333 -2.936 4.571 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.571 -3.286 4.223 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.566 -5.391 3.782 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.001 -5.245 3.010 1.00 1.00 H new ATOM 0 HG LEU A 14 1.389 -3.384 2.614 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.278 -4.226 0.285 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.529 -5.561 1.435 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.082 -5.283 0.732 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.056 -2.225 0.964 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.415 -3.284 1.411 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.754 -2.134 2.598 1.00 1.00 H new ATOM 229 N ARG A 15 -1.997 -4.989 6.030 1.00 1.00 N ATOM 230 CA ARG A 15 -2.297 -5.746 7.239 1.00 1.00 C ATOM 231 C ARG A 15 -2.950 -7.076 6.878 1.00 1.00 C ATOM 232 O ARG A 15 -3.670 -7.168 5.887 1.00 1.00 O ATOM 233 CB ARG A 15 -3.231 -4.927 8.137 1.00 1.00 C ATOM 234 CG ARG A 15 -4.058 -5.851 9.036 1.00 1.00 C ATOM 235 CD ARG A 15 -4.640 -5.041 10.197 1.00 1.00 C ATOM 236 NE ARG A 15 -3.766 -5.138 11.360 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.879 -4.297 12.382 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.792 -3.365 12.362 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.076 -4.401 13.406 1.00 1.00 N ATOM 0 H ARG A 15 -2.788 -4.874 5.396 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.369 -5.948 7.775 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.646 -4.241 8.750 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.895 -4.319 7.523 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.861 -6.313 8.461 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.434 -6.659 9.418 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.753 -3.998 9.903 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.634 -5.411 10.447 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.053 -5.867 11.389 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.419 -3.282 11.562 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.879 -2.719 13.147 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.361 -5.128 13.422 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.163 -3.755 14.190 1.00 1.00 H new ATOM 253 N ASN A 16 -2.689 -8.091 7.696 1.00 1.00 N ATOM 254 CA ASN A 16 -3.251 -9.421 7.478 1.00 1.00 C ATOM 255 C ASN A 16 -2.577 -10.118 6.300 1.00 1.00 C ATOM 256 O ASN A 16 -3.246 -10.575 5.372 1.00 1.00 O ATOM 257 CB ASN A 16 -4.753 -9.315 7.222 1.00 1.00 C ATOM 258 CG ASN A 16 -5.434 -10.641 7.533 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.159 -11.260 8.561 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.319 -11.117 6.701 1.00 1.00 N ATOM 0 H ASN A 16 -2.090 -8.018 8.518 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.073 -10.015 8.375 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.180 -8.525 7.840 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.934 -9.040 6.183 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.784 -12.003 6.902 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.546 -10.604 5.849 1.00 1.00 H new ATOM 267 N ILE A 17 -1.250 -10.204 6.345 1.00 1.00 N ATOM 268 CA ILE A 17 -0.502 -10.860 5.276 1.00 1.00 C ATOM 269 C ILE A 17 -0.218 -12.314 5.644 1.00 1.00 C ATOM 270 O ILE A 17 0.078 -12.626 6.797 1.00 1.00 O ATOM 271 CB ILE A 17 0.820 -10.124 5.031 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.555 -8.629 4.797 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.527 -10.720 3.813 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.471 -8.436 3.674 1.00 1.00 C ATOM 0 H ILE A 17 -0.676 -9.832 7.101 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.102 -10.834 4.366 1.00 1.00 H new ATOM 0 HB ILE A 17 1.457 -10.239 5.908 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.189 -8.170 5.715 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.486 -8.125 4.538 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.466 -10.193 3.643 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.730 -11.776 3.991 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.889 -10.616 2.935 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.647 -7.371 3.521 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.089 -8.877 2.753 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.407 -8.923 3.949 1.00 1.00 H new ATOM 286 N ALA A 18 -0.318 -13.200 4.659 1.00 1.00 N ATOM 287 CA ALA A 18 -0.075 -14.620 4.895 1.00 1.00 C ATOM 288 C ALA A 18 1.424 -14.905 5.001 1.00 1.00 C ATOM 289 O ALA A 18 2.249 -14.091 4.587 1.00 1.00 O ATOM 290 CB ALA A 18 -0.673 -15.449 3.755 1.00 1.00 C ATOM 0 H ALA A 18 -0.563 -12.964 3.697 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.551 -14.895 5.836 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.487 -16.507 3.939 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.747 -15.273 3.702 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.210 -15.158 2.812 1.00 1.00 H new ATOM 296 N PRO A 19 1.785 -16.043 5.543 1.00 1.00 N ATOM 297 CA PRO A 19 3.216 -16.445 5.706 1.00 1.00 C ATOM 298 C PRO A 19 3.862 -16.844 4.380 1.00 1.00 C ATOM 299 O PRO A 19 5.029 -17.233 4.345 1.00 1.00 O ATOM 300 CB PRO A 19 3.145 -17.645 6.652 1.00 1.00 C ATOM 301 CG PRO A 19 1.793 -18.234 6.432 1.00 1.00 C ATOM 302 CD PRO A 19 0.869 -17.074 6.066 1.00 1.00 C ATOM 0 HA PRO A 19 3.828 -15.626 6.084 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.930 -18.368 6.431 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.277 -17.337 7.689 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.818 -18.976 5.634 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.441 -18.742 7.329 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.132 -17.370 5.319 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.316 -16.714 6.934 1.00 1.00 H new ATOM 310 N HIS A 20 3.092 -16.752 3.297 1.00 1.00 N ATOM 311 CA HIS A 20 3.596 -17.113 1.974 1.00 1.00 C ATOM 312 C HIS A 20 3.625 -15.899 1.053 1.00 1.00 C ATOM 313 O HIS A 20 3.479 -16.027 -0.163 1.00 1.00 O ATOM 314 CB HIS A 20 2.703 -18.192 1.360 1.00 1.00 C ATOM 315 CG HIS A 20 3.454 -18.905 0.270 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.443 -18.282 -0.476 1.00 1.00 N ATOM 317 CD2 HIS A 20 3.371 -20.187 -0.214 1.00 1.00 C ATOM 318 CE1 HIS A 20 4.912 -19.182 -1.359 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.294 -20.360 -1.242 1.00 1.00 N ATOM 0 H HIS A 20 2.123 -16.433 3.309 1.00 1.00 H new ATOM 0 HA HIS A 20 4.612 -17.491 2.086 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.393 -18.902 2.127 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.796 -17.742 0.957 1.00 1.00 H new ATOM 0 HD1 HIS A 20 4.758 -17.317 -0.374 1.00 1.00 H new ATOM 0 HD2 HIS A 20 2.693 -20.946 0.148 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.694 -18.977 -2.076 1.00 1.00 H new ATOM 327 N THR A 21 3.813 -14.720 1.637 1.00 1.00 N ATOM 328 CA THR A 21 3.856 -13.493 0.851 1.00 1.00 C ATOM 329 C THR A 21 5.272 -13.221 0.351 1.00 1.00 C ATOM 330 O THR A 21 6.245 -13.409 1.080 1.00 1.00 O ATOM 331 CB THR A 21 3.371 -12.314 1.695 1.00 1.00 C ATOM 332 OG1 THR A 21 1.951 -12.296 1.700 1.00 1.00 O ATOM 333 CG2 THR A 21 3.898 -11.006 1.103 1.00 1.00 C ATOM 0 H THR A 21 3.937 -14.589 2.641 1.00 1.00 H new ATOM 0 HA THR A 21 3.200 -13.615 -0.011 1.00 1.00 H new ATOM 0 HB THR A 21 3.740 -12.420 2.715 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.630 -11.630 1.057 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.551 -10.167 1.707 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.988 -11.022 1.097 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.532 -10.895 0.082 1.00 1.00 H new ATOM 341 N VAL A 22 5.374 -12.774 -0.896 1.00 1.00 N ATOM 342 CA VAL A 22 6.674 -12.475 -1.490 1.00 1.00 C ATOM 343 C VAL A 22 6.625 -11.144 -2.235 1.00 1.00 C ATOM 344 O VAL A 22 5.552 -10.674 -2.614 1.00 1.00 O ATOM 345 CB VAL A 22 7.076 -13.589 -2.458 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.072 -14.525 -1.771 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.833 -14.381 -2.866 1.00 1.00 C ATOM 0 H VAL A 22 4.578 -12.611 -1.513 1.00 1.00 H new ATOM 0 HA VAL A 22 7.412 -12.407 -0.691 1.00 1.00 H new ATOM 0 HB VAL A 22 7.537 -13.153 -3.344 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.359 -15.319 -2.460 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.958 -13.962 -1.477 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.610 -14.962 -0.886 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.118 -15.175 -3.556 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.373 -14.818 -1.980 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.121 -13.715 -3.354 1.00 1.00 H new ATOM 357 N VAL A 23 7.792 -10.542 -2.441 1.00 1.00 N ATOM 358 CA VAL A 23 7.867 -9.266 -3.141 1.00 1.00 C ATOM 359 C VAL A 23 7.382 -9.413 -4.580 1.00 1.00 C ATOM 360 O VAL A 23 6.977 -8.437 -5.212 1.00 1.00 O ATOM 361 CB VAL A 23 9.307 -8.752 -3.138 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.323 -7.272 -3.528 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.902 -8.914 -1.738 1.00 1.00 C ATOM 0 H VAL A 23 8.691 -10.914 -2.136 1.00 1.00 H new ATOM 0 HA VAL A 23 7.225 -8.553 -2.624 1.00 1.00 H new ATOM 0 HB VAL A 23 9.897 -9.323 -3.855 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.350 -6.906 -3.526 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.898 -7.154 -4.525 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.733 -6.701 -2.812 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.929 -8.548 -1.734 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.310 -8.342 -1.023 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.891 -9.967 -1.458 1.00 1.00 H new ATOM 373 N ASP A 24 7.426 -10.639 -5.091 1.00 1.00 N ATOM 374 CA ASP A 24 6.989 -10.903 -6.457 1.00 1.00 C ATOM 375 C ASP A 24 5.479 -10.726 -6.584 1.00 1.00 C ATOM 376 O ASP A 24 4.995 -10.103 -7.529 1.00 1.00 O ATOM 377 CB ASP A 24 7.376 -12.327 -6.862 1.00 1.00 C ATOM 378 CG ASP A 24 7.381 -12.452 -8.382 1.00 1.00 C ATOM 379 OD1 ASP A 24 6.792 -11.603 -9.029 1.00 1.00 O ATOM 380 OD2 ASP A 24 7.975 -13.396 -8.876 1.00 1.00 O ATOM 0 H ASP A 24 7.757 -11.460 -4.584 1.00 1.00 H new ATOM 0 HA ASP A 24 7.481 -10.190 -7.119 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.361 -12.572 -6.465 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.673 -13.040 -6.432 1.00 1.00 H new ATOM 385 N SER A 25 4.740 -11.280 -5.628 1.00 1.00 N ATOM 386 CA SER A 25 3.285 -11.177 -5.647 1.00 1.00 C ATOM 387 C SER A 25 2.845 -9.729 -5.457 1.00 1.00 C ATOM 388 O SER A 25 2.062 -9.200 -6.246 1.00 1.00 O ATOM 389 CB SER A 25 2.687 -12.043 -4.536 1.00 1.00 C ATOM 390 OG SER A 25 2.913 -13.414 -4.837 1.00 1.00 O ATOM 0 H SER A 25 5.120 -11.800 -4.837 1.00 1.00 H new ATOM 0 HA SER A 25 2.928 -11.528 -6.615 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.140 -11.790 -3.578 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.618 -11.850 -4.444 1.00 1.00 H new ATOM 0 HG SER A 25 2.533 -13.972 -4.127 1.00 1.00 H new ATOM 396 N ILE A 26 3.349 -9.094 -4.404 1.00 1.00 N ATOM 397 CA ILE A 26 3.000 -7.707 -4.119 1.00 1.00 C ATOM 398 C ILE A 26 3.328 -6.811 -5.310 1.00 1.00 C ATOM 399 O ILE A 26 2.738 -5.743 -5.477 1.00 1.00 O ATOM 400 CB ILE A 26 3.767 -7.220 -2.889 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.277 -7.975 -1.645 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.546 -5.715 -2.710 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.097 -7.239 -1.004 1.00 1.00 C ATOM 0 H ILE A 26 3.997 -9.515 -3.738 1.00 1.00 H new ATOM 0 HA ILE A 26 1.928 -7.656 -3.927 1.00 1.00 H new ATOM 0 HB ILE A 26 4.832 -7.410 -3.024 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.977 -8.986 -1.920 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.090 -8.069 -0.925 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.093 -5.369 -1.833 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.905 -5.187 -3.593 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.483 -5.517 -2.576 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.761 -7.787 -0.124 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.409 -6.237 -0.710 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.279 -7.169 -1.721 1.00 1.00 H new ATOM 415 N MET A 27 4.273 -7.252 -6.134 1.00 1.00 N ATOM 416 CA MET A 27 4.673 -6.478 -7.304 1.00 1.00 C ATOM 417 C MET A 27 3.649 -6.621 -8.426 1.00 1.00 C ATOM 418 O MET A 27 3.090 -5.630 -8.898 1.00 1.00 O ATOM 419 CB MET A 27 6.040 -6.955 -7.801 1.00 1.00 C ATOM 420 CG MET A 27 7.145 -6.292 -6.976 1.00 1.00 C ATOM 421 SD MET A 27 7.698 -4.784 -7.812 1.00 1.00 S ATOM 422 CE MET A 27 9.449 -4.911 -7.374 1.00 1.00 C ATOM 0 H MET A 27 4.772 -8.133 -6.015 1.00 1.00 H new ATOM 0 HA MET A 27 4.732 -5.429 -7.015 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.111 -8.039 -7.717 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.161 -6.708 -8.856 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.776 -6.053 -5.979 1.00 1.00 H new ATOM 0 HG3 MET A 27 7.982 -6.979 -6.850 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.012 -4.137 -7.896 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.565 -4.781 -6.298 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.826 -5.892 -7.664 1.00 1.00 H new ATOM 432 N THR A 28 3.411 -7.856 -8.850 1.00 1.00 N ATOM 433 CA THR A 28 2.458 -8.118 -9.922 1.00 1.00 C ATOM 434 C THR A 28 1.034 -7.790 -9.479 1.00 1.00 C ATOM 435 O THR A 28 0.165 -7.522 -10.309 1.00 1.00 O ATOM 436 CB THR A 28 2.536 -9.589 -10.339 1.00 1.00 C ATOM 437 OG1 THR A 28 3.851 -9.883 -10.787 1.00 1.00 O ATOM 438 CG2 THR A 28 1.538 -9.853 -11.467 1.00 1.00 C ATOM 0 H THR A 28 3.862 -8.688 -8.470 1.00 1.00 H new ATOM 0 HA THR A 28 2.714 -7.481 -10.769 1.00 1.00 H new ATOM 0 HB THR A 28 2.293 -10.223 -9.487 1.00 1.00 H new ATOM 0 HG1 THR A 28 3.903 -10.825 -11.053 1.00 1.00 H new ATOM 0 HG21 THR A 28 1.593 -10.900 -11.764 1.00 1.00 H new ATOM 0 HG22 THR A 28 0.529 -9.627 -11.121 1.00 1.00 H new ATOM 0 HG23 THR A 28 1.779 -9.220 -12.321 1.00 1.00 H new ATOM 446 N ALA A 29 0.798 -7.821 -8.173 1.00 1.00 N ATOM 447 CA ALA A 29 -0.530 -7.536 -7.639 1.00 1.00 C ATOM 448 C ALA A 29 -0.846 -6.044 -7.709 1.00 1.00 C ATOM 449 O ALA A 29 -1.995 -5.655 -7.918 1.00 1.00 O ATOM 450 CB ALA A 29 -0.620 -8.009 -6.187 1.00 1.00 C ATOM 0 H ALA A 29 1.502 -8.039 -7.468 1.00 1.00 H new ATOM 0 HA ALA A 29 -1.259 -8.071 -8.247 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.614 -7.793 -5.795 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.438 -9.083 -6.142 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.127 -7.489 -5.588 1.00 1.00 H new ATOM 456 N LEU A 30 0.174 -5.213 -7.519 1.00 1.00 N ATOM 457 CA LEU A 30 -0.015 -3.763 -7.552 1.00 1.00 C ATOM 458 C LEU A 30 0.458 -3.176 -8.880 1.00 1.00 C ATOM 459 O LEU A 30 0.515 -1.956 -9.044 1.00 1.00 O ATOM 460 CB LEU A 30 0.760 -3.111 -6.403 1.00 1.00 C ATOM 461 CG LEU A 30 0.038 -3.368 -5.074 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.933 -2.923 -3.917 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.283 -2.586 -5.019 1.00 1.00 C ATOM 0 H LEU A 30 1.133 -5.513 -7.342 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.080 -3.559 -7.443 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.772 -3.514 -6.361 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.851 -2.039 -6.576 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.178 -4.433 -4.993 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.422 -3.105 -2.971 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.865 -3.487 -3.940 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.150 -1.859 -4.014 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.782 -2.780 -4.069 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.078 -1.519 -5.110 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.928 -2.903 -5.839 1.00 1.00 H new ATOM 475 N SER A 31 0.804 -4.045 -9.822 1.00 1.00 N ATOM 476 CA SER A 31 1.281 -3.599 -11.128 1.00 1.00 C ATOM 477 C SER A 31 0.219 -2.777 -11.865 1.00 1.00 C ATOM 478 O SER A 31 0.493 -1.657 -12.293 1.00 1.00 O ATOM 479 CB SER A 31 1.689 -4.801 -11.980 1.00 1.00 C ATOM 480 OG SER A 31 3.100 -4.797 -12.151 1.00 1.00 O ATOM 0 H SER A 31 0.764 -5.058 -9.708 1.00 1.00 H new ATOM 0 HA SER A 31 2.148 -2.960 -10.962 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.372 -5.727 -11.500 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.193 -4.759 -12.950 1.00 1.00 H new ATOM 0 HG SER A 31 3.366 -5.567 -12.695 1.00 1.00 H new ATOM 486 N PRO A 32 -0.973 -3.299 -12.031 1.00 1.00 N ATOM 487 CA PRO A 32 -2.063 -2.575 -12.744 1.00 1.00 C ATOM 488 C PRO A 32 -2.699 -1.492 -11.878 1.00 1.00 C ATOM 489 O PRO A 32 -3.554 -0.736 -12.339 1.00 1.00 O ATOM 490 CB PRO A 32 -3.071 -3.674 -13.070 1.00 1.00 C ATOM 491 CG PRO A 32 -2.884 -4.707 -12.011 1.00 1.00 C ATOM 492 CD PRO A 32 -1.421 -4.626 -11.564 1.00 1.00 C ATOM 0 HA PRO A 32 -1.697 -2.050 -13.626 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -4.090 -3.287 -13.066 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.892 -4.090 -14.061 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.555 -4.525 -11.171 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -3.116 -5.700 -12.395 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.329 -4.719 -10.482 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.825 -5.425 -12.004 1.00 1.00 H new ATOM 500 N TYR A 33 -2.277 -1.427 -10.620 1.00 1.00 N ATOM 501 CA TYR A 33 -2.814 -0.436 -9.696 1.00 1.00 C ATOM 502 C TYR A 33 -1.849 0.734 -9.532 1.00 1.00 C ATOM 503 O TYR A 33 -2.264 1.855 -9.235 1.00 1.00 O ATOM 504 CB TYR A 33 -3.079 -1.082 -8.335 1.00 1.00 C ATOM 505 CG TYR A 33 -4.178 -2.106 -8.474 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.864 -3.430 -8.801 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.512 -1.731 -8.274 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.885 -4.380 -8.930 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.532 -2.680 -8.401 1.00 1.00 C ATOM 510 CZ TYR A 33 -6.219 -4.005 -8.730 1.00 1.00 C ATOM 511 OH TYR A 33 -7.225 -4.941 -8.855 1.00 1.00 O ATOM 0 H TYR A 33 -1.570 -2.044 -10.219 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.750 -0.057 -10.107 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.171 -1.555 -7.961 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.365 -0.322 -7.608 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.835 -3.719 -8.954 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.754 -0.709 -8.022 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.643 -5.402 -9.184 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.561 -2.391 -8.245 1.00 1.00 H new ATOM 0 HH TYR A 33 -8.091 -4.516 -8.683 1.00 1.00 H new ATOM 521 N ALA A 34 -0.559 0.471 -9.728 1.00 1.00 N ATOM 522 CA ALA A 34 0.447 1.517 -9.597 1.00 1.00 C ATOM 523 C ALA A 34 1.846 0.942 -9.790 1.00 1.00 C ATOM 524 O ALA A 34 2.007 -0.255 -10.034 1.00 1.00 O ATOM 525 CB ALA A 34 0.348 2.169 -8.218 1.00 1.00 C ATOM 0 H ALA A 34 -0.190 -0.447 -9.975 1.00 1.00 H new ATOM 0 HA ALA A 34 0.265 2.267 -10.367 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.104 2.949 -8.129 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.642 2.607 -8.093 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.512 1.416 -7.447 1.00 1.00 H new ATOM 531 N SER A 35 2.852 1.804 -9.677 1.00 1.00 N ATOM 532 CA SER A 35 4.240 1.382 -9.838 1.00 1.00 C ATOM 533 C SER A 35 5.005 1.565 -8.533 1.00 1.00 C ATOM 534 O SER A 35 4.963 2.635 -7.925 1.00 1.00 O ATOM 535 CB SER A 35 4.909 2.201 -10.942 1.00 1.00 C ATOM 536 OG SER A 35 4.105 3.334 -11.240 1.00 1.00 O ATOM 0 H SER A 35 2.733 2.797 -9.475 1.00 1.00 H new ATOM 0 HA SER A 35 4.253 0.327 -10.111 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.902 2.519 -10.624 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.041 1.590 -11.835 1.00 1.00 H new ATOM 0 HG SER A 35 4.533 3.862 -11.946 1.00 1.00 H new ATOM 542 N LEU A 36 5.702 0.513 -8.110 1.00 1.00 N ATOM 543 CA LEU A 36 6.475 0.563 -6.874 1.00 1.00 C ATOM 544 C LEU A 36 7.968 0.508 -7.176 1.00 1.00 C ATOM 545 O LEU A 36 8.376 0.512 -8.337 1.00 1.00 O ATOM 546 CB LEU A 36 6.092 -0.607 -5.960 1.00 1.00 C ATOM 547 CG LEU A 36 5.245 -1.621 -6.732 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.123 -2.906 -5.911 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.846 -1.052 -6.981 1.00 1.00 C ATOM 0 H LEU A 36 5.747 -0.379 -8.602 1.00 1.00 H new ATOM 0 HA LEU A 36 6.250 1.502 -6.368 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.991 -1.089 -5.577 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.536 -0.238 -5.098 1.00 1.00 H new ATOM 0 HG LEU A 36 5.724 -1.833 -7.688 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.520 -3.631 -6.458 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.116 -3.320 -5.733 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.646 -2.684 -4.956 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.250 -1.780 -7.531 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.366 -0.836 -6.027 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.925 -0.134 -7.563 1.00 1.00 H new ATOM 561 N ALA A 37 8.776 0.455 -6.124 1.00 1.00 N ATOM 562 CA ALA A 37 10.224 0.401 -6.288 1.00 1.00 C ATOM 563 C ALA A 37 10.850 -0.471 -5.201 1.00 1.00 C ATOM 564 O ALA A 37 10.580 -0.288 -4.014 1.00 1.00 O ATOM 565 CB ALA A 37 10.810 1.814 -6.232 1.00 1.00 C ATOM 0 H ALA A 37 8.457 0.448 -5.155 1.00 1.00 H new ATOM 0 HA ALA A 37 10.450 -0.039 -7.259 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.892 1.764 -6.355 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.381 2.418 -7.032 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.575 2.267 -5.269 1.00 1.00 H new ATOM 571 N VAL A 38 11.679 -1.423 -5.619 1.00 1.00 N ATOM 572 CA VAL A 38 12.334 -2.329 -4.681 1.00 1.00 C ATOM 573 C VAL A 38 12.988 -1.564 -3.532 1.00 1.00 C ATOM 574 O VAL A 38 12.957 -2.007 -2.383 1.00 1.00 O ATOM 575 CB VAL A 38 13.397 -3.149 -5.413 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.234 -3.927 -4.397 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.716 -4.130 -6.368 1.00 1.00 C ATOM 0 H VAL A 38 11.913 -1.587 -6.598 1.00 1.00 H new ATOM 0 HA VAL A 38 11.573 -2.989 -4.265 1.00 1.00 H new ATOM 0 HB VAL A 38 14.044 -2.479 -5.979 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.991 -4.511 -4.920 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.721 -3.229 -3.716 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.588 -4.597 -3.830 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.473 -4.715 -6.890 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.068 -4.799 -5.802 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.120 -3.577 -7.094 1.00 1.00 H new ATOM 587 N ASN A 39 13.593 -0.422 -3.849 1.00 1.00 N ATOM 588 CA ASN A 39 14.267 0.384 -2.834 1.00 1.00 C ATOM 589 C ASN A 39 13.276 1.251 -2.060 1.00 1.00 C ATOM 590 O ASN A 39 13.679 2.059 -1.221 1.00 1.00 O ATOM 591 CB ASN A 39 15.315 1.280 -3.497 1.00 1.00 C ATOM 592 CG ASN A 39 14.684 2.051 -4.652 1.00 1.00 C ATOM 593 OD1 ASN A 39 14.137 1.450 -5.576 1.00 1.00 O ATOM 594 ND2 ASN A 39 14.729 3.356 -4.653 1.00 1.00 N ATOM 0 H ASN A 39 13.631 -0.036 -4.792 1.00 1.00 H new ATOM 0 HA ASN A 39 14.748 -0.296 -2.131 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.726 1.976 -2.766 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.145 0.675 -3.863 1.00 1.00 H new ATOM 0 HD21 ASN A 39 14.310 3.880 -5.421 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.183 3.851 -3.886 1.00 1.00 H new ATOM 601 N ASN A 40 11.988 1.084 -2.347 1.00 1.00 N ATOM 602 CA ASN A 40 10.950 1.864 -1.669 1.00 1.00 C ATOM 603 C ASN A 40 10.015 0.953 -0.876 1.00 1.00 C ATOM 604 O ASN A 40 9.061 1.425 -0.257 1.00 1.00 O ATOM 605 CB ASN A 40 10.137 2.658 -2.703 1.00 1.00 C ATOM 606 CG ASN A 40 9.916 4.100 -2.248 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.118 4.434 -1.080 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.494 4.977 -3.116 1.00 1.00 N ATOM 0 H ASN A 40 11.637 0.422 -3.039 1.00 1.00 H new ATOM 0 HA ASN A 40 11.436 2.551 -0.977 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.658 2.652 -3.660 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.174 2.173 -2.862 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.331 5.942 -2.828 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.327 4.698 -4.083 1.00 1.00 H new ATOM 615 N ILE A 41 10.289 -0.348 -0.895 1.00 1.00 N ATOM 616 CA ILE A 41 9.463 -1.303 -0.175 1.00 1.00 C ATOM 617 C ILE A 41 10.334 -2.313 0.561 1.00 1.00 C ATOM 618 O ILE A 41 11.243 -2.903 -0.022 1.00 1.00 O ATOM 619 CB ILE A 41 8.538 -2.025 -1.154 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.352 -2.974 -2.037 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.823 -0.999 -2.033 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.498 -3.425 -3.225 1.00 1.00 C ATOM 0 H ILE A 41 11.074 -0.761 -1.400 1.00 1.00 H new ATOM 0 HA ILE A 41 8.862 -0.765 0.559 1.00 1.00 H new ATOM 0 HB ILE A 41 7.802 -2.601 -0.592 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.253 -2.474 -2.392 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.675 -3.839 -1.458 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.163 -1.515 -2.731 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.235 -0.329 -1.406 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.560 -0.421 -2.590 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.078 -4.101 -3.854 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.610 -3.941 -2.860 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.198 -2.555 -3.808 1.00 1.00 H new ATOM 634 N ARG A 42 10.055 -2.501 1.848 1.00 1.00 N ATOM 635 CA ARG A 42 10.824 -3.437 2.659 1.00 1.00 C ATOM 636 C ARG A 42 9.894 -4.334 3.470 1.00 1.00 C ATOM 637 O ARG A 42 8.991 -3.850 4.153 1.00 1.00 O ATOM 638 CB ARG A 42 11.748 -2.670 3.607 1.00 1.00 C ATOM 639 CG ARG A 42 12.531 -3.660 4.470 1.00 1.00 C ATOM 640 CD ARG A 42 13.632 -2.916 5.229 1.00 1.00 C ATOM 641 NE ARG A 42 14.923 -3.124 4.582 1.00 1.00 N ATOM 642 CZ ARG A 42 16.053 -2.741 5.167 1.00 1.00 C ATOM 643 NH1 ARG A 42 16.020 -2.171 6.340 1.00 1.00 N ATOM 644 NH2 ARG A 42 17.195 -2.937 4.567 1.00 1.00 N ATOM 0 H ARG A 42 9.307 -2.021 2.348 1.00 1.00 H new ATOM 0 HA ARG A 42 11.421 -4.059 1.993 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.436 -2.046 3.036 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.164 -2.003 4.240 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.861 -4.155 5.173 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.968 -4.438 3.844 1.00 1.00 H new ATOM 0 HD2 ARG A 42 13.403 -1.851 5.264 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.674 -3.267 6.260 1.00 1.00 H new ATOM 0 HE ARG A 42 14.959 -3.571 3.666 1.00 1.00 H new ATOM 0 HH11 ARG A 42 15.127 -2.019 6.808 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.888 -1.877 6.789 1.00 1.00 H new ATOM 0 HH21 ARG A 42 17.219 -3.384 3.650 1.00 1.00 H new ATOM 0 HH22 ARG A 42 18.063 -2.644 5.015 1.00 1.00 H new ATOM 658 N LEU A 43 10.124 -5.638 3.395 1.00 1.00 N ATOM 659 CA LEU A 43 9.303 -6.590 4.136 1.00 1.00 C ATOM 660 C LEU A 43 9.921 -6.865 5.501 1.00 1.00 C ATOM 661 O LEU A 43 11.135 -7.033 5.620 1.00 1.00 O ATOM 662 CB LEU A 43 9.186 -7.901 3.353 1.00 1.00 C ATOM 663 CG LEU A 43 7.828 -8.555 3.627 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.809 -8.062 2.601 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.964 -10.074 3.515 1.00 1.00 C ATOM 0 H LEU A 43 10.865 -6.059 2.835 1.00 1.00 H new ATOM 0 HA LEU A 43 8.310 -6.162 4.273 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.297 -7.708 2.286 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.990 -8.579 3.640 1.00 1.00 H new ATOM 0 HG LEU A 43 7.493 -8.290 4.630 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.843 -8.527 2.796 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.712 -6.979 2.676 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.144 -8.328 1.598 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.999 -10.541 3.710 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.298 -10.336 2.511 1.00 1.00 H new ATOM 0 HD23 LEU A 43 8.692 -10.429 4.244 1.00 1.00 H new ATOM 677 N ILE A 44 9.083 -6.909 6.528 1.00 1.00 N ATOM 678 CA ILE A 44 9.563 -7.162 7.880 1.00 1.00 C ATOM 679 C ILE A 44 9.716 -8.664 8.113 1.00 1.00 C ATOM 680 O ILE A 44 8.751 -9.351 8.439 1.00 1.00 O ATOM 681 CB ILE A 44 8.580 -6.567 8.896 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.081 -6.804 10.328 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.210 -7.226 8.725 1.00 1.00 C ATOM 684 CD1 ILE A 44 10.436 -6.119 10.525 1.00 1.00 C ATOM 0 H ILE A 44 8.075 -6.774 6.452 1.00 1.00 H new ATOM 0 HA ILE A 44 10.537 -6.690 8.007 1.00 1.00 H new ATOM 0 HB ILE A 44 8.501 -5.494 8.721 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.359 -6.414 11.045 1.00 1.00 H new ATOM 0 HG13 ILE A 44 9.173 -7.873 10.518 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.511 -6.804 9.447 1.00 1.00 H new ATOM 0 HG22 ILE A 44 6.843 -7.045 7.715 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.299 -8.299 8.892 1.00 1.00 H new ATOM 0 HD11 ILE A 44 10.786 -6.291 11.543 1.00 1.00 H new ATOM 0 HD12 ILE A 44 11.158 -6.530 9.819 1.00 1.00 H new ATOM 0 HD13 ILE A 44 10.330 -5.048 10.354 1.00 1.00 H new ATOM 696 N LYS A 45 10.936 -9.163 7.935 1.00 1.00 N ATOM 697 CA LYS A 45 11.209 -10.585 8.121 1.00 1.00 C ATOM 698 C LYS A 45 11.954 -10.831 9.428 1.00 1.00 C ATOM 699 O LYS A 45 13.061 -10.329 9.624 1.00 1.00 O ATOM 700 CB LYS A 45 12.047 -11.109 6.954 1.00 1.00 C ATOM 701 CG LYS A 45 11.475 -12.443 6.476 1.00 1.00 C ATOM 702 CD LYS A 45 12.338 -12.999 5.339 1.00 1.00 C ATOM 703 CE LYS A 45 11.577 -12.879 4.017 1.00 1.00 C ATOM 704 NZ LYS A 45 12.478 -13.257 2.891 1.00 1.00 N ATOM 0 H LYS A 45 11.747 -8.607 7.664 1.00 1.00 H new ATOM 0 HA LYS A 45 10.256 -11.112 8.158 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.045 -10.387 6.138 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.084 -11.236 7.265 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.444 -13.153 7.302 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.449 -12.308 6.134 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.279 -12.451 5.281 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.588 -14.042 5.534 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.700 -13.527 4.029 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.217 -11.859 3.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 11.962 -13.176 1.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.301 -12.621 2.877 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.800 -14.238 3.018 1.00 1.00 H new ATOM 718 N ASP A 46 11.342 -11.614 10.316 1.00 1.00 N ATOM 719 CA ASP A 46 11.958 -11.929 11.601 1.00 1.00 C ATOM 720 C ASP A 46 12.383 -13.394 11.643 1.00 1.00 C ATOM 721 O ASP A 46 11.851 -14.226 10.909 1.00 1.00 O ATOM 722 CB ASP A 46 10.974 -11.645 12.735 1.00 1.00 C ATOM 723 CG ASP A 46 11.591 -10.660 13.725 1.00 1.00 C ATOM 724 OD1 ASP A 46 12.145 -9.671 13.276 1.00 1.00 O ATOM 725 OD2 ASP A 46 11.504 -10.912 14.915 1.00 1.00 O ATOM 0 H ASP A 46 10.426 -12.039 10.169 1.00 1.00 H new ATOM 0 HA ASP A 46 12.841 -11.303 11.725 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.048 -11.236 12.331 1.00 1.00 H new ATOM 0 HB3 ASP A 46 10.716 -12.573 13.245 1.00 1.00 H new ATOM 730 N LYS A 47 13.343 -13.703 12.509 1.00 1.00 N ATOM 731 CA LYS A 47 13.827 -15.073 12.639 1.00 1.00 C ATOM 732 C LYS A 47 12.867 -15.902 13.485 1.00 1.00 C ATOM 733 O LYS A 47 13.165 -17.041 13.844 1.00 1.00 O ATOM 734 CB LYS A 47 15.216 -15.078 13.282 1.00 1.00 C ATOM 735 CG LYS A 47 15.702 -16.520 13.439 1.00 1.00 C ATOM 736 CD LYS A 47 17.220 -16.572 13.243 1.00 1.00 C ATOM 737 CE LYS A 47 17.543 -16.612 11.748 1.00 1.00 C ATOM 738 NZ LYS A 47 17.731 -18.027 11.319 1.00 1.00 N ATOM 0 H LYS A 47 13.798 -13.030 13.126 1.00 1.00 H new ATOM 0 HA LYS A 47 13.888 -15.514 11.644 1.00 1.00 H new ATOM 0 HB2 LYS A 47 15.915 -14.513 12.666 1.00 1.00 H new ATOM 0 HB3 LYS A 47 15.180 -14.588 14.255 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.439 -16.898 14.427 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.208 -17.163 12.710 1.00 1.00 H new ATOM 0 HD2 LYS A 47 17.686 -15.701 13.703 1.00 1.00 H new ATOM 0 HD3 LYS A 47 17.631 -17.452 13.738 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.736 -16.152 11.178 1.00 1.00 H new ATOM 0 HE3 LYS A 47 18.446 -16.036 11.544 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.535 -18.087 10.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 17.920 -18.620 12.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 16.869 -18.363 10.843 1.00 1.00 H new ATOM 752 N GLN A 48 11.712 -15.324 13.799 1.00 1.00 N ATOM 753 CA GLN A 48 10.713 -16.018 14.603 1.00 1.00 C ATOM 754 C GLN A 48 9.879 -16.951 13.730 1.00 1.00 C ATOM 755 O GLN A 48 9.820 -18.156 13.974 1.00 1.00 O ATOM 756 CB GLN A 48 9.802 -15.001 15.293 1.00 1.00 C ATOM 757 CG GLN A 48 8.958 -15.708 16.356 1.00 1.00 C ATOM 758 CD GLN A 48 9.535 -15.440 17.741 1.00 1.00 C ATOM 759 OE1 GLN A 48 8.788 -15.284 18.708 1.00 1.00 O ATOM 760 NE2 GLN A 48 10.830 -15.378 17.898 1.00 1.00 N ATOM 0 H GLN A 48 11.446 -14.382 13.511 1.00 1.00 H new ATOM 0 HA GLN A 48 11.226 -16.613 15.359 1.00 1.00 H new ATOM 0 HB2 GLN A 48 10.400 -14.214 15.753 1.00 1.00 H new ATOM 0 HB3 GLN A 48 9.154 -14.521 14.559 1.00 1.00 H new ATOM 0 HG2 GLN A 48 7.928 -15.356 16.308 1.00 1.00 H new ATOM 0 HG3 GLN A 48 8.938 -16.780 16.162 1.00 1.00 H new ATOM 0 HE21 GLN A 48 11.448 -15.507 17.097 1.00 1.00 H new ATOM 0 HE22 GLN A 48 11.224 -15.200 18.822 1.00 1.00 H new ATOM 769 N THR A 49 9.240 -16.387 12.708 1.00 1.00 N ATOM 770 CA THR A 49 8.416 -17.180 11.803 1.00 1.00 C ATOM 771 C THR A 49 9.161 -17.434 10.494 1.00 1.00 C ATOM 772 O THR A 49 8.626 -18.046 9.570 1.00 1.00 O ATOM 773 CB THR A 49 7.096 -16.455 11.522 1.00 1.00 C ATOM 774 OG1 THR A 49 7.253 -15.069 11.798 1.00 1.00 O ATOM 775 CG2 THR A 49 5.993 -17.032 12.410 1.00 1.00 C ATOM 0 H THR A 49 9.277 -15.392 12.488 1.00 1.00 H new ATOM 0 HA THR A 49 8.201 -18.138 12.276 1.00 1.00 H new ATOM 0 HB THR A 49 6.822 -16.591 10.476 1.00 1.00 H new ATOM 0 HG1 THR A 49 7.467 -14.592 10.969 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.055 -16.514 12.208 1.00 1.00 H new ATOM 0 HG22 THR A 49 5.874 -18.095 12.198 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.262 -16.899 13.458 1.00 1.00 H new ATOM 783 N GLN A 50 10.404 -16.962 10.432 1.00 1.00 N ATOM 784 CA GLN A 50 11.231 -17.142 9.241 1.00 1.00 C ATOM 785 C GLN A 50 10.581 -16.503 8.018 1.00 1.00 C ATOM 786 O GLN A 50 10.913 -16.838 6.881 1.00 1.00 O ATOM 787 CB GLN A 50 11.454 -18.634 8.981 1.00 1.00 C ATOM 788 CG GLN A 50 12.923 -18.876 8.630 1.00 1.00 C ATOM 789 CD GLN A 50 13.792 -18.706 9.871 1.00 1.00 C ATOM 790 OE1 GLN A 50 15.017 -18.803 9.790 1.00 1.00 O ATOM 791 NE2 GLN A 50 13.229 -18.455 11.022 1.00 1.00 N ATOM 0 H GLN A 50 10.860 -16.454 11.190 1.00 1.00 H new ATOM 0 HA GLN A 50 12.189 -16.653 9.418 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.180 -19.213 9.863 1.00 1.00 H new ATOM 0 HB3 GLN A 50 10.814 -18.972 8.166 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.047 -19.880 8.224 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.240 -18.177 7.856 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.214 -18.375 11.087 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.804 -18.339 11.856 1.00 1.00 H new ATOM 800 N GLN A 51 9.662 -15.576 8.261 1.00 1.00 N ATOM 801 CA GLN A 51 8.977 -14.888 7.171 1.00 1.00 C ATOM 802 C GLN A 51 8.115 -13.757 7.721 1.00 1.00 C ATOM 803 O GLN A 51 7.954 -13.630 8.935 1.00 1.00 O ATOM 804 CB GLN A 51 8.105 -15.874 6.386 1.00 1.00 C ATOM 805 CG GLN A 51 6.855 -16.220 7.196 1.00 1.00 C ATOM 806 CD GLN A 51 6.470 -17.677 6.966 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.589 -18.186 5.853 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.010 -18.384 7.963 1.00 1.00 N ATOM 0 H GLN A 51 9.375 -15.284 9.195 1.00 1.00 H new ATOM 0 HA GLN A 51 9.726 -14.468 6.500 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.820 -15.438 5.428 1.00 1.00 H new ATOM 0 HB3 GLN A 51 8.671 -16.780 6.168 1.00 1.00 H new ATOM 0 HG2 GLN A 51 7.040 -16.047 8.256 1.00 1.00 H new ATOM 0 HG3 GLN A 51 6.032 -15.568 6.905 1.00 1.00 H new ATOM 0 HE21 GLN A 51 5.912 -17.961 8.886 1.00 1.00 H new ATOM 0 HE22 GLN A 51 5.749 -19.359 7.819 1.00 1.00 H new ATOM 817 N ASN A 52 7.573 -12.937 6.824 1.00 1.00 N ATOM 818 CA ASN A 52 6.729 -11.815 7.230 1.00 1.00 C ATOM 819 C ASN A 52 5.865 -12.191 8.433 1.00 1.00 C ATOM 820 O ASN A 52 5.210 -13.232 8.435 1.00 1.00 O ATOM 821 CB ASN A 52 5.828 -11.394 6.070 1.00 1.00 C ATOM 822 CG ASN A 52 4.454 -12.035 6.229 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.457 -11.334 6.403 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.341 -13.333 6.184 1.00 1.00 N ATOM 0 H ASN A 52 7.702 -13.027 5.816 1.00 1.00 H new ATOM 0 HA ASN A 52 7.378 -10.985 7.511 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.733 -10.308 6.046 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.274 -11.696 5.122 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.425 -13.769 6.293 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.168 -13.912 6.040 1.00 1.00 H new ATOM 831 N ARG A 53 5.870 -11.338 9.455 1.00 1.00 N ATOM 832 CA ARG A 53 5.081 -11.604 10.654 1.00 1.00 C ATOM 833 C ARG A 53 3.638 -11.136 10.463 1.00 1.00 C ATOM 834 O ARG A 53 2.949 -10.801 11.427 1.00 1.00 O ATOM 835 CB ARG A 53 5.699 -10.892 11.861 1.00 1.00 C ATOM 836 CG ARG A 53 6.845 -11.733 12.418 1.00 1.00 C ATOM 837 CD ARG A 53 7.491 -11.005 13.601 1.00 1.00 C ATOM 838 NE ARG A 53 6.468 -10.391 14.441 1.00 1.00 N ATOM 839 CZ ARG A 53 5.737 -11.118 15.279 1.00 1.00 C ATOM 840 NH1 ARG A 53 5.923 -12.408 15.358 1.00 1.00 N ATOM 841 NH2 ARG A 53 4.832 -10.544 16.022 1.00 1.00 N ATOM 0 H ARG A 53 6.404 -10.469 9.478 1.00 1.00 H new ATOM 0 HA ARG A 53 5.081 -12.679 10.832 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.065 -9.908 11.568 1.00 1.00 H new ATOM 0 HB3 ARG A 53 4.943 -10.734 12.630 1.00 1.00 H new ATOM 0 HG2 ARG A 53 6.473 -12.707 12.737 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.587 -11.914 11.641 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.081 -11.707 14.190 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.177 -10.241 13.235 1.00 1.00 H new ATOM 0 HE ARG A 53 6.311 -9.385 14.384 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.630 -12.858 14.776 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.362 -12.966 16.002 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.685 -9.537 15.960 1.00 1.00 H new ATOM 0 HH22 ARG A 53 4.271 -11.103 16.665 1.00 1.00 H new ATOM 855 N GLY A 54 3.183 -11.118 9.213 1.00 1.00 N ATOM 856 CA GLY A 54 1.821 -10.693 8.915 1.00 1.00 C ATOM 857 C GLY A 54 1.743 -9.180 8.717 1.00 1.00 C ATOM 858 O GLY A 54 0.727 -8.559 9.028 1.00 1.00 O ATOM 0 H GLY A 54 3.732 -11.390 8.398 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.468 -11.198 8.016 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.159 -10.990 9.728 1.00 1.00 H new ATOM 862 N PHE A 55 2.820 -8.593 8.200 1.00 1.00 N ATOM 863 CA PHE A 55 2.853 -7.149 7.970 1.00 1.00 C ATOM 864 C PHE A 55 3.913 -6.786 6.931 1.00 1.00 C ATOM 865 O PHE A 55 4.950 -7.442 6.832 1.00 1.00 O ATOM 866 CB PHE A 55 3.152 -6.418 9.284 1.00 1.00 C ATOM 867 CG PHE A 55 1.962 -6.531 10.208 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.817 -5.761 9.973 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.006 -7.404 11.302 1.00 1.00 C ATOM 870 CE1 PHE A 55 -0.283 -5.862 10.830 1.00 1.00 C ATOM 871 CE2 PHE A 55 0.904 -7.506 12.159 1.00 1.00 C ATOM 872 CZ PHE A 55 -0.241 -6.734 11.924 1.00 1.00 C ATOM 0 H PHE A 55 3.672 -9.087 7.935 1.00 1.00 H new ATOM 0 HA PHE A 55 1.877 -6.842 7.593 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.035 -6.847 9.758 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.374 -5.369 9.086 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.783 -5.088 9.129 1.00 1.00 H new ATOM 0 HD2 PHE A 55 2.889 -7.998 11.484 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -1.166 -5.267 10.648 1.00 1.00 H new ATOM 0 HE2 PHE A 55 0.937 -8.180 13.002 1.00 1.00 H new ATOM 0 HZ PHE A 55 -1.091 -6.812 12.586 1.00 1.00 H new ATOM 882 N ALA A 56 3.643 -5.735 6.158 1.00 1.00 N ATOM 883 CA ALA A 56 4.576 -5.290 5.125 1.00 1.00 C ATOM 884 C ALA A 56 4.492 -3.776 4.946 1.00 1.00 C ATOM 885 O ALA A 56 3.424 -3.183 5.097 1.00 1.00 O ATOM 886 CB ALA A 56 4.250 -5.977 3.799 1.00 1.00 C ATOM 0 H ALA A 56 2.791 -5.179 6.227 1.00 1.00 H new ATOM 0 HA ALA A 56 5.587 -5.555 5.435 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.949 -5.641 3.033 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.335 -7.057 3.918 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.233 -5.724 3.498 1.00 1.00 H new ATOM 892 N PHE A 57 5.626 -3.159 4.621 1.00 1.00 N ATOM 893 CA PHE A 57 5.674 -1.713 4.420 1.00 1.00 C ATOM 894 C PHE A 57 5.853 -1.385 2.941 1.00 1.00 C ATOM 895 O PHE A 57 6.622 -2.043 2.239 1.00 1.00 O ATOM 896 CB PHE A 57 6.828 -1.111 5.222 1.00 1.00 C ATOM 897 CG PHE A 57 6.285 -0.416 6.446 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.925 0.936 6.381 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.140 -1.122 7.646 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.420 1.581 7.516 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.636 -0.476 8.782 1.00 1.00 C ATOM 902 CZ PHE A 57 5.277 0.876 8.716 1.00 1.00 C ATOM 0 H PHE A 57 6.519 -3.635 4.492 1.00 1.00 H new ATOM 0 HA PHE A 57 4.733 -1.285 4.765 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.527 -1.894 5.516 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.382 -0.403 4.606 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.037 1.481 5.455 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.417 -2.165 7.696 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.141 2.623 7.465 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.524 -1.020 9.708 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.889 1.375 9.592 1.00 1.00 H new ATOM 912 N VAL A 58 5.139 -0.365 2.471 1.00 1.00 N ATOM 913 CA VAL A 58 5.229 0.035 1.072 1.00 1.00 C ATOM 914 C VAL A 58 5.158 1.553 0.935 1.00 1.00 C ATOM 915 O VAL A 58 4.249 2.188 1.468 1.00 1.00 O ATOM 916 CB VAL A 58 4.089 -0.604 0.275 1.00 1.00 C ATOM 917 CG1 VAL A 58 2.793 0.177 0.504 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.437 -0.589 -1.216 1.00 1.00 C ATOM 0 H VAL A 58 4.498 0.194 3.034 1.00 1.00 H new ATOM 0 HA VAL A 58 6.187 -0.305 0.680 1.00 1.00 H new ATOM 0 HB VAL A 58 3.952 -1.633 0.608 1.00 1.00 H new ATOM 0 HG11 VAL A 58 1.986 -0.283 -0.066 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.542 0.163 1.565 1.00 1.00 H new ATOM 0 HG13 VAL A 58 2.927 1.208 0.177 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.625 -1.044 -1.784 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.578 0.440 -1.546 1.00 1.00 H new ATOM 0 HG23 VAL A 58 5.355 -1.152 -1.381 1.00 1.00 H new ATOM 928 N GLN A 59 6.118 2.125 0.208 1.00 1.00 N ATOM 929 CA GLN A 59 6.150 3.569 -0.002 1.00 1.00 C ATOM 930 C GLN A 59 6.006 3.885 -1.486 1.00 1.00 C ATOM 931 O GLN A 59 6.384 3.078 -2.338 1.00 1.00 O ATOM 932 CB GLN A 59 7.461 4.153 0.532 1.00 1.00 C ATOM 933 CG GLN A 59 7.560 5.629 0.142 1.00 1.00 C ATOM 934 CD GLN A 59 8.389 6.385 1.176 1.00 1.00 C ATOM 935 OE1 GLN A 59 7.840 7.118 1.998 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.687 6.251 1.181 1.00 1.00 N ATOM 0 H GLN A 59 6.878 1.614 -0.242 1.00 1.00 H new ATOM 0 HA GLN A 59 5.318 4.020 0.539 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.502 4.049 1.616 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.309 3.601 0.126 1.00 1.00 H new ATOM 0 HG2 GLN A 59 8.017 5.724 -0.843 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.563 6.064 0.074 1.00 1.00 H new ATOM 0 HE21 GLN A 59 10.140 5.643 0.499 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.249 6.754 1.867 1.00 1.00 H new ATOM 945 N LEU A 60 5.455 5.056 -1.790 1.00 1.00 N ATOM 946 CA LEU A 60 5.260 5.463 -3.180 1.00 1.00 C ATOM 947 C LEU A 60 6.232 6.585 -3.539 1.00 1.00 C ATOM 948 O LEU A 60 6.841 7.195 -2.660 1.00 1.00 O ATOM 949 CB LEU A 60 3.815 5.943 -3.397 1.00 1.00 C ATOM 950 CG LEU A 60 2.882 4.771 -3.752 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.279 4.164 -5.102 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.951 3.685 -2.674 1.00 1.00 C ATOM 0 H LEU A 60 5.137 5.736 -1.100 1.00 1.00 H new ATOM 0 HA LEU A 60 5.450 4.604 -3.823 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.454 6.437 -2.495 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.792 6.684 -4.196 1.00 1.00 H new ATOM 0 HG LEU A 60 1.864 5.156 -3.812 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.610 3.337 -5.340 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.205 4.925 -5.879 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.304 3.798 -5.049 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.285 2.864 -2.941 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.973 3.313 -2.597 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.644 4.104 -1.716 1.00 1.00 H new ATOM 964 N SER A 61 6.379 6.847 -4.835 1.00 1.00 N ATOM 965 CA SER A 61 7.289 7.892 -5.296 1.00 1.00 C ATOM 966 C SER A 61 6.834 9.270 -4.821 1.00 1.00 C ATOM 967 O SER A 61 7.660 10.127 -4.504 1.00 1.00 O ATOM 968 CB SER A 61 7.363 7.880 -6.823 1.00 1.00 C ATOM 969 OG SER A 61 7.962 6.664 -7.253 1.00 1.00 O ATOM 0 H SER A 61 5.884 6.355 -5.579 1.00 1.00 H new ATOM 0 HA SER A 61 8.274 7.690 -4.876 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.364 7.977 -7.248 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.945 8.731 -7.177 1.00 1.00 H new ATOM 0 HG SER A 61 8.010 6.651 -8.232 1.00 1.00 H new ATOM 975 N SER A 62 5.523 9.473 -4.782 1.00 1.00 N ATOM 976 CA SER A 62 4.961 10.751 -4.352 1.00 1.00 C ATOM 977 C SER A 62 4.121 10.573 -3.092 1.00 1.00 C ATOM 978 O SER A 62 3.877 9.452 -2.649 1.00 1.00 O ATOM 979 CB SER A 62 4.096 11.338 -5.465 1.00 1.00 C ATOM 980 OG SER A 62 4.866 11.440 -6.655 1.00 1.00 O ATOM 0 H SER A 62 4.829 8.772 -5.042 1.00 1.00 H new ATOM 0 HA SER A 62 5.783 11.432 -4.131 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.224 10.706 -5.635 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.725 12.320 -5.173 1.00 1.00 H new ATOM 0 HG SER A 62 4.313 11.815 -7.372 1.00 1.00 H new ATOM 986 N ALA A 63 3.680 11.689 -2.521 1.00 1.00 N ATOM 987 CA ALA A 63 2.866 11.648 -1.312 1.00 1.00 C ATOM 988 C ALA A 63 1.390 11.483 -1.659 1.00 1.00 C ATOM 989 O ALA A 63 0.628 10.885 -0.901 1.00 1.00 O ATOM 990 CB ALA A 63 3.062 12.936 -0.507 1.00 1.00 C ATOM 0 H ALA A 63 3.871 12.627 -2.873 1.00 1.00 H new ATOM 0 HA ALA A 63 3.182 10.793 -0.715 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.451 12.898 0.395 1.00 1.00 H new ATOM 0 HB2 ALA A 63 4.111 13.036 -0.230 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.763 13.792 -1.112 1.00 1.00 H new ATOM 996 N MET A 64 0.993 12.021 -2.809 1.00 1.00 N ATOM 997 CA MET A 64 -0.396 11.928 -3.244 1.00 1.00 C ATOM 998 C MET A 64 -0.689 10.548 -3.822 1.00 1.00 C ATOM 999 O MET A 64 -1.839 10.115 -3.864 1.00 1.00 O ATOM 1000 CB MET A 64 -0.683 12.998 -4.299 1.00 1.00 C ATOM 1001 CG MET A 64 0.545 13.176 -5.194 1.00 1.00 C ATOM 1002 SD MET A 64 0.012 13.606 -6.869 1.00 1.00 S ATOM 1003 CE MET A 64 0.328 11.995 -7.629 1.00 1.00 C ATOM 0 H MET A 64 1.608 12.521 -3.451 1.00 1.00 H new ATOM 0 HA MET A 64 -1.039 12.087 -2.379 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.545 12.709 -4.900 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.934 13.942 -3.816 1.00 1.00 H new ATOM 0 HG2 MET A 64 1.190 13.958 -4.794 1.00 1.00 H new ATOM 0 HG3 MET A 64 1.132 12.258 -5.212 1.00 1.00 H new ATOM 0 HE1 MET A 64 -0.187 11.938 -8.588 1.00 1.00 H new ATOM 0 HE2 MET A 64 1.400 11.870 -7.785 1.00 1.00 H new ATOM 0 HE3 MET A 64 -0.038 11.205 -6.973 1.00 1.00 H new ATOM 1013 N ASP A 65 0.359 9.865 -4.270 1.00 1.00 N ATOM 1014 CA ASP A 65 0.200 8.534 -4.847 1.00 1.00 C ATOM 1015 C ASP A 65 -0.275 7.542 -3.790 1.00 1.00 C ATOM 1016 O ASP A 65 -0.939 6.554 -4.107 1.00 1.00 O ATOM 1017 CB ASP A 65 1.530 8.059 -5.434 1.00 1.00 C ATOM 1018 CG ASP A 65 1.547 8.284 -6.942 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.891 9.379 -7.355 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.220 7.356 -7.664 1.00 1.00 O ATOM 0 H ASP A 65 1.320 10.207 -4.246 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.549 8.589 -5.637 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.355 8.598 -4.969 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.676 7.001 -5.215 1.00 1.00 H new ATOM 1025 N ALA A 66 0.071 7.808 -2.535 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.325 6.929 -1.442 1.00 1.00 C ATOM 1027 C ALA A 66 -1.841 6.913 -1.285 1.00 1.00 C ATOM 1028 O ALA A 66 -2.473 5.861 -1.383 1.00 1.00 O ATOM 1029 CB ALA A 66 0.321 7.395 -0.136 1.00 1.00 C ATOM 0 H ALA A 66 0.621 8.619 -2.251 1.00 1.00 H new ATOM 0 HA ALA A 66 0.013 5.919 -1.675 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.020 6.733 0.676 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.406 7.373 -0.239 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.002 8.412 0.087 1.00 1.00 H new ATOM 1035 N SER A 67 -2.420 8.085 -1.042 1.00 1.00 N ATOM 1036 CA SER A 67 -3.863 8.190 -0.874 1.00 1.00 C ATOM 1037 C SER A 67 -4.582 7.679 -2.118 1.00 1.00 C ATOM 1038 O SER A 67 -5.629 7.039 -2.026 1.00 1.00 O ATOM 1039 CB SER A 67 -4.257 9.644 -0.616 1.00 1.00 C ATOM 1040 OG SER A 67 -3.683 10.471 -1.619 1.00 1.00 O ATOM 0 H SER A 67 -1.916 8.968 -0.958 1.00 1.00 H new ATOM 0 HA SER A 67 -4.156 7.580 -0.020 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.342 9.745 -0.622 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.913 9.957 0.370 1.00 1.00 H new ATOM 0 HG SER A 67 -3.935 11.404 -1.457 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.008 7.969 -3.282 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.597 7.537 -4.540 1.00 1.00 C ATOM 1048 C GLN A 68 -4.695 6.016 -4.596 1.00 1.00 C ATOM 1049 O GLN A 68 -5.778 5.462 -4.767 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.742 8.036 -5.707 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.587 8.919 -6.627 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.808 9.248 -7.896 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.343 9.135 -8.999 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.572 9.655 -7.805 1.00 1.00 N ATOM 0 H GLN A 68 -3.141 8.498 -3.378 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.601 7.955 -4.613 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.889 8.600 -5.330 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.343 7.189 -6.266 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.515 8.408 -6.883 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.861 9.839 -6.110 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.132 9.748 -6.890 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.046 9.881 -8.649 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.554 5.347 -4.453 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.528 3.889 -4.493 1.00 1.00 C ATOM 1065 C LEU A 69 -4.446 3.312 -3.423 1.00 1.00 C ATOM 1066 O LEU A 69 -4.987 2.218 -3.576 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.098 3.379 -4.272 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.836 2.164 -5.166 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.403 1.676 -4.956 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.811 1.040 -4.805 1.00 1.00 C ATOM 0 H LEU A 69 -2.645 5.786 -4.310 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.878 3.566 -5.473 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.382 4.169 -4.497 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.956 3.109 -3.225 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.977 2.447 -6.209 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.216 0.811 -5.592 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.294 2.473 -5.214 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.264 1.395 -3.912 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.623 0.176 -5.443 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.671 0.758 -3.761 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.834 1.384 -4.954 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.622 4.059 -2.339 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.485 3.610 -1.251 1.00 1.00 C ATOM 1084 C LEU A 70 -6.949 3.809 -1.628 1.00 1.00 C ATOM 1085 O LEU A 70 -7.807 3.005 -1.269 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.169 4.395 0.033 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.815 3.438 1.182 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.223 4.237 2.345 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.077 2.719 1.666 1.00 1.00 C ATOM 0 H LEU A 70 -4.185 4.968 -2.190 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.302 2.550 -1.075 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.338 5.077 -0.147 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.028 5.005 0.313 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.091 2.706 0.826 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -3.971 3.560 3.161 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.323 4.753 2.011 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -4.953 4.968 2.693 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.820 2.042 2.481 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.801 3.453 2.019 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.509 2.149 0.843 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.228 4.883 -2.358 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.590 5.174 -2.783 1.00 1.00 C ATOM 1103 C GLN A 71 -8.941 4.382 -4.040 1.00 1.00 C ATOM 1104 O GLN A 71 -10.103 4.055 -4.278 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.738 6.670 -3.058 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.104 6.941 -3.686 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.666 8.259 -3.163 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.035 8.354 -1.991 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.758 9.284 -3.965 1.00 1.00 N ATOM 0 H GLN A 71 -6.533 5.563 -2.666 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.273 4.882 -1.985 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.634 7.233 -2.130 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.946 7.008 -3.726 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.013 6.980 -4.772 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.789 6.126 -3.453 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -10.452 9.202 -4.934 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -11.136 10.167 -3.622 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.926 4.082 -4.845 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.137 3.336 -6.081 1.00 1.00 C ATOM 1120 C ILE A 72 -8.391 1.861 -5.787 1.00 1.00 C ATOM 1121 O ILE A 72 -9.212 1.221 -6.445 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.913 3.475 -6.989 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.927 4.854 -7.654 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.948 2.390 -8.066 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.554 5.142 -8.260 1.00 1.00 C ATOM 0 H ILE A 72 -6.956 4.342 -4.666 1.00 1.00 H new ATOM 0 HA ILE A 72 -9.013 3.747 -6.584 1.00 1.00 H new ATOM 0 HB ILE A 72 -6.006 3.366 -6.394 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.693 4.888 -8.429 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.181 5.620 -6.921 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -6.076 2.490 -8.712 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.939 1.408 -7.593 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.855 2.498 -8.661 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.564 6.124 -8.733 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.799 5.126 -7.474 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.319 4.382 -9.005 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.680 1.324 -4.802 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.840 -0.082 -4.440 1.00 1.00 C ATOM 1139 C LEU A 73 -9.072 -0.278 -3.557 1.00 1.00 C ATOM 1140 O LEU A 73 -9.718 -1.326 -3.607 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.592 -0.581 -3.706 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.604 -2.111 -3.654 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.942 -2.678 -4.914 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.830 -2.582 -2.422 1.00 1.00 C ATOM 0 H LEU A 73 -6.994 1.833 -4.244 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.974 -0.658 -5.356 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.694 -0.231 -4.215 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.565 -0.173 -2.696 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.635 -2.461 -3.599 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.953 -3.767 -4.872 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.490 -2.343 -5.795 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.912 -2.328 -4.973 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.837 -3.671 -2.382 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.801 -2.228 -2.481 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.300 -2.183 -1.523 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.394 0.731 -2.755 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.558 0.646 -1.872 1.00 1.00 C ATOM 1158 C GLN A 74 -11.832 1.021 -2.628 1.00 1.00 C ATOM 1159 O GLN A 74 -12.940 0.792 -2.143 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.395 1.576 -0.665 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.267 1.067 0.235 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.001 2.078 1.344 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.049 3.285 1.105 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.732 1.658 2.550 1.00 1.00 N ATOM 0 H GLN A 74 -8.875 1.607 -2.696 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.635 -0.383 -1.521 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.174 2.589 -1.002 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.328 1.623 -0.103 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.539 0.103 0.665 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.362 0.910 -0.352 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.693 0.658 2.745 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.561 2.330 3.298 1.00 1.00 H new ATOM 1173 N SER A 75 -11.670 1.600 -3.816 1.00 1.00 N ATOM 1174 CA SER A 75 -12.817 1.998 -4.624 1.00 1.00 C ATOM 1175 C SER A 75 -13.543 0.767 -5.154 1.00 1.00 C ATOM 1176 O SER A 75 -14.743 0.810 -5.426 1.00 1.00 O ATOM 1177 CB SER A 75 -12.357 2.866 -5.797 1.00 1.00 C ATOM 1178 OG SER A 75 -13.117 2.537 -6.951 1.00 1.00 O ATOM 0 H SER A 75 -10.763 1.802 -4.236 1.00 1.00 H new ATOM 0 HA SER A 75 -13.500 2.572 -3.998 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.482 3.921 -5.554 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.296 2.706 -5.989 1.00 1.00 H new ATOM 0 HG SER A 75 -12.826 3.093 -7.704 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.805 -0.328 -5.289 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.383 -1.574 -5.778 1.00 1.00 C ATOM 1186 C LEU A 76 -14.260 -2.198 -4.696 1.00 1.00 C ATOM 1187 O LEU A 76 -13.912 -2.174 -3.514 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.270 -2.548 -6.180 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.363 -1.897 -7.228 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -10.227 -2.856 -7.584 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -12.170 -1.580 -8.491 1.00 1.00 C ATOM 0 H LEU A 76 -11.810 -0.379 -5.068 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.996 -1.362 -6.654 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.685 -2.828 -5.304 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.704 -3.465 -6.580 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.952 -0.973 -6.821 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.581 -2.394 -8.330 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.646 -3.080 -6.689 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.643 -3.779 -7.987 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.519 -1.117 -9.232 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.586 -2.502 -8.898 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.981 -0.895 -8.242 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.402 -2.747 -5.100 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.319 -3.360 -4.143 1.00 1.00 C ATOM 1205 C HIS A 77 -15.656 -4.527 -3.408 1.00 1.00 C ATOM 1206 O HIS A 77 -15.652 -4.549 -2.179 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.605 -3.824 -4.835 1.00 1.00 C ATOM 1208 CG HIS A 77 -17.558 -3.461 -6.295 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -17.678 -4.406 -7.301 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -17.421 -2.252 -6.931 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -17.610 -3.757 -8.478 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -17.454 -2.441 -8.308 1.00 1.00 N ATOM 0 H HIS A 77 -15.712 -2.781 -6.071 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.580 -2.601 -3.406 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.721 -4.902 -4.722 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -18.471 -3.359 -4.363 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -17.305 -1.299 -6.437 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -17.674 -4.241 -9.442 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -17.376 -1.728 -9.033 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.091 -5.485 -4.109 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.415 -6.646 -3.459 1.00 1.00 C ATOM 1222 C PRO A 78 -13.022 -6.267 -2.927 1.00 1.00 C ATOM 1223 O PRO A 78 -12.129 -5.964 -3.717 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.296 -7.665 -4.592 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.222 -6.854 -5.842 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.025 -5.578 -5.584 1.00 1.00 C ATOM 0 HA PRO A 78 -14.966 -7.018 -2.595 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.408 -8.285 -4.472 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.154 -8.337 -4.609 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.187 -6.617 -6.089 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.633 -7.406 -6.687 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.536 -4.705 -6.017 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.020 -5.637 -6.025 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.804 -6.270 -1.624 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.474 -5.908 -1.049 1.00 1.00 C ATOM 1236 C PRO A 79 -10.333 -6.653 -1.737 1.00 1.00 C ATOM 1237 O PRO A 79 -10.551 -7.395 -2.694 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.580 -6.318 0.422 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.037 -6.313 0.738 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.777 -6.612 -0.567 1.00 1.00 C ATOM 0 HA PRO A 79 -11.249 -4.850 -1.182 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.147 -7.305 0.586 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.038 -5.622 1.062 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.270 -7.062 1.494 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.341 -5.347 1.142 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.075 -7.659 -0.624 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.686 -6.016 -0.655 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.116 -6.455 -1.239 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.955 -7.121 -1.815 1.00 1.00 C ATOM 1250 C LEU A 80 -7.866 -8.552 -1.295 1.00 1.00 C ATOM 1251 O LEU A 80 -7.779 -8.775 -0.089 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.682 -6.347 -1.450 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.457 -6.992 -2.114 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.589 -6.923 -3.639 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.196 -6.240 -1.683 1.00 1.00 C ATOM 0 H LEU A 80 -8.910 -5.846 -0.447 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.057 -7.147 -2.900 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.774 -5.310 -1.772 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.553 -6.335 -0.368 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.392 -8.036 -1.807 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.715 -7.383 -4.101 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.487 -7.456 -3.951 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.658 -5.881 -3.951 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.323 -6.694 -2.152 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.271 -5.197 -1.990 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.094 -6.292 -0.599 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.898 -9.514 -2.215 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.830 -10.924 -1.841 1.00 1.00 C ATOM 1269 C LYS A 81 -6.633 -11.601 -2.496 1.00 1.00 C ATOM 1270 O LYS A 81 -6.558 -11.708 -3.721 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.121 -11.637 -2.261 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.294 -12.935 -1.457 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.201 -13.942 -1.827 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.728 -15.360 -1.594 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.587 -16.270 -1.288 1.00 1.00 N ATOM 0 H LYS A 81 -7.970 -9.344 -3.218 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.714 -10.987 -0.759 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.977 -10.982 -2.097 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.091 -11.862 -3.327 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.251 -12.718 -0.390 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.276 -13.365 -1.655 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.910 -13.815 -2.870 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.310 -13.768 -1.224 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.441 -15.364 -0.770 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.261 -15.711 -2.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.586 -17.064 -1.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.693 -15.745 -1.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.685 -16.637 -0.320 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.709 -12.066 -1.666 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.515 -12.747 -2.149 1.00 1.00 C ATOM 1291 C ILE A 82 -4.516 -14.189 -1.653 1.00 1.00 C ATOM 1292 O ILE A 82 -4.832 -14.441 -0.489 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.264 -12.021 -1.642 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.276 -10.578 -2.155 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.008 -12.732 -2.152 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.140 -9.788 -1.501 1.00 1.00 C ATOM 0 H ILE A 82 -5.764 -11.984 -0.651 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.511 -12.742 -3.239 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.260 -12.025 -0.552 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.163 -10.566 -3.239 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.234 -10.110 -1.930 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.122 -12.211 -1.788 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.999 -13.760 -1.789 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.007 -12.732 -3.242 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.152 -8.762 -1.869 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.273 -9.788 -0.419 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.185 -10.251 -1.749 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.183 -15.125 -2.543 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.161 -16.544 -2.189 1.00 1.00 C ATOM 1310 C ASP A 83 -3.745 -16.738 -0.736 1.00 1.00 C ATOM 1311 O ASP A 83 -2.569 -16.618 -0.392 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.188 -17.294 -3.101 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.721 -17.312 -4.530 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.503 -16.342 -5.236 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -4.340 -18.297 -4.898 1.00 1.00 O ATOM 0 H ASP A 83 -3.926 -14.927 -3.510 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.168 -16.941 -2.319 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.209 -16.815 -3.075 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.053 -18.314 -2.742 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.722 -17.035 0.114 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.457 -17.237 1.532 1.00 1.00 C ATOM 1322 C GLY A 84 -5.610 -16.716 2.384 1.00 1.00 C ATOM 1323 O GLY A 84 -6.192 -17.455 3.177 1.00 1.00 O ATOM 0 H GLY A 84 -5.701 -17.141 -0.154 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.305 -18.298 1.729 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.535 -16.726 1.810 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.933 -15.436 2.215 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.020 -14.826 2.976 1.00 1.00 C ATOM 1329 C LYS A 85 -7.284 -13.403 2.491 1.00 1.00 C ATOM 1330 O LYS A 85 -6.641 -12.926 1.555 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.666 -14.803 4.464 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.149 -14.681 4.628 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.832 -14.013 5.966 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.380 -14.304 6.350 1.00 1.00 C ATOM 1335 NZ LYS A 85 -2.988 -13.445 7.502 1.00 1.00 N ATOM 0 H LYS A 85 -5.463 -14.806 1.565 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.921 -15.421 2.826 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.164 -13.966 4.954 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.022 -15.713 4.947 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.687 -15.667 4.584 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.730 -14.096 3.809 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -4.992 -12.937 5.894 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.505 -14.385 6.739 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.266 -15.356 6.612 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.723 -14.114 5.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.056 -13.022 7.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.692 -12.690 7.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -2.941 -14.023 8.366 1.00 1.00 H new ATOM 1349 N THR A 86 -8.235 -12.732 3.135 1.00 1.00 N ATOM 1350 CA THR A 86 -8.578 -11.364 2.764 1.00 1.00 C ATOM 1351 C THR A 86 -7.467 -10.398 3.168 1.00 1.00 C ATOM 1352 O THR A 86 -6.864 -10.543 4.231 1.00 1.00 O ATOM 1353 CB THR A 86 -9.886 -10.953 3.446 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.606 -12.119 3.823 1.00 1.00 O ATOM 1355 CG2 THR A 86 -10.729 -10.120 2.479 1.00 1.00 C ATOM 0 H THR A 86 -8.778 -13.111 3.911 1.00 1.00 H new ATOM 0 HA THR A 86 -8.700 -11.323 1.682 1.00 1.00 H new ATOM 0 HB THR A 86 -9.664 -10.359 4.333 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.443 -11.859 4.261 1.00 1.00 H new ATOM 0 HG21 THR A 86 -11.660 -9.828 2.966 1.00 1.00 H new ATOM 0 HG22 THR A 86 -10.175 -9.227 2.190 1.00 1.00 H new ATOM 0 HG23 THR A 86 -10.954 -10.711 1.591 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.202 -9.416 2.307 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.161 -8.426 2.575 1.00 1.00 C ATOM 1365 C ILE A 87 -6.755 -7.021 2.642 1.00 1.00 C ATOM 1366 O ILE A 87 -7.576 -6.642 1.803 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.098 -8.483 1.475 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.470 -9.882 1.435 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.017 -7.435 1.750 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.282 -9.961 2.398 1.00 1.00 C ATOM 0 H ILE A 87 -7.692 -9.285 1.422 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.705 -8.657 3.538 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.563 -8.273 0.512 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.215 -10.630 1.705 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.141 -10.111 0.421 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.261 -7.477 0.966 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.468 -6.443 1.766 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.551 -7.637 2.714 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.847 -10.960 2.358 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.530 -9.226 2.110 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.622 -9.753 3.413 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.335 -6.256 3.650 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.829 -4.893 3.830 1.00 1.00 C ATOM 1384 C GLY A 88 -5.714 -3.869 3.630 1.00 1.00 C ATOM 1385 O GLY A 88 -4.545 -4.228 3.488 1.00 1.00 O ATOM 0 H GLY A 88 -5.657 -6.556 4.351 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.635 -4.699 3.122 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.250 -4.785 4.830 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.090 -2.591 3.622 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.123 -1.512 3.442 1.00 1.00 C ATOM 1391 C VAL A 89 -5.277 -0.469 4.545 1.00 1.00 C ATOM 1392 O VAL A 89 -6.392 -0.136 4.945 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.331 -0.846 2.080 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.090 -0.030 1.712 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.563 -1.919 1.016 1.00 1.00 C ATOM 0 H VAL A 89 -7.054 -2.279 3.738 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.120 -1.936 3.491 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.198 -0.188 2.131 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.240 0.443 0.742 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.922 0.737 2.468 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.223 -0.688 1.664 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.711 -1.444 0.046 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.696 -2.578 0.969 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.448 -2.501 1.273 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.151 0.047 5.029 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.175 1.055 6.084 1.00 1.00 C ATOM 1407 C ASP A 90 -3.079 2.091 5.858 1.00 1.00 C ATOM 1408 O ASP A 90 -2.038 1.790 5.272 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.980 0.389 7.448 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.626 -0.993 7.453 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -5.812 -1.072 7.179 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -3.925 -1.952 7.731 1.00 1.00 O ATOM 0 H ASP A 90 -3.218 -0.213 4.711 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.143 1.556 6.061 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -2.916 0.303 7.671 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.420 1.008 8.230 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.318 3.313 6.326 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.340 4.386 6.168 1.00 1.00 C ATOM 1419 C PHE A 91 -1.136 4.150 7.074 1.00 1.00 C ATOM 1420 O PHE A 91 -1.138 3.235 7.899 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.983 5.728 6.518 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.585 6.345 5.276 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.755 6.741 4.222 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.971 6.519 5.179 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.309 7.313 3.070 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.526 7.091 4.028 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.695 7.489 2.974 1.00 1.00 C ATOM 0 H PHE A 91 -4.172 3.584 6.813 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.005 4.399 5.131 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.754 5.586 7.275 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.237 6.399 6.944 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.686 6.606 4.297 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.612 6.212 5.992 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.668 7.618 2.256 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.595 7.225 3.953 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.123 7.932 2.087 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.110 4.979 6.914 1.00 1.00 N ATOM 1438 CA ALA A 92 1.096 4.853 7.724 1.00 1.00 C ATOM 1439 C ALA A 92 0.738 4.598 9.184 1.00 1.00 C ATOM 1440 O ALA A 92 0.135 5.446 9.841 1.00 1.00 O ATOM 1441 CB ALA A 92 1.933 6.128 7.617 1.00 1.00 C ATOM 0 H ALA A 92 -0.089 5.740 6.236 1.00 1.00 H new ATOM 0 HA ALA A 92 1.674 4.007 7.351 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.832 6.025 8.225 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.215 6.292 6.577 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.349 6.977 7.973 1.00 1.00 H new ATOM 1447 N LYS A 93 1.110 3.425 9.683 1.00 1.00 N ATOM 1448 CA LYS A 93 0.821 3.069 11.068 1.00 1.00 C ATOM 1449 C LYS A 93 1.932 2.194 11.639 1.00 1.00 C ATOM 1450 O LYS A 93 2.754 1.655 10.899 1.00 1.00 O ATOM 1451 CB LYS A 93 -0.512 2.320 11.148 1.00 1.00 C ATOM 1452 CG LYS A 93 -1.643 3.319 11.404 1.00 1.00 C ATOM 1453 CD LYS A 93 -2.982 2.579 11.422 1.00 1.00 C ATOM 1454 CE LYS A 93 -4.115 3.579 11.667 1.00 1.00 C ATOM 1455 NZ LYS A 93 -4.679 3.364 13.029 1.00 1.00 N ATOM 0 H LYS A 93 1.608 2.709 9.155 1.00 1.00 H new ATOM 0 HA LYS A 93 0.758 3.986 11.653 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -0.694 1.779 10.220 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -0.478 1.580 11.947 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -1.484 3.829 12.354 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.649 4.085 10.628 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -3.137 2.063 10.475 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -2.979 1.818 12.203 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -3.742 4.599 11.573 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.894 3.454 10.915 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.449 4.043 13.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -5.049 2.395 13.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -3.933 3.504 13.740 1.00 1.00 H new ATOM 1469 N SER A 94 1.950 2.059 12.960 1.00 1.00 N ATOM 1470 CA SER A 94 2.965 1.248 13.622 1.00 1.00 C ATOM 1471 C SER A 94 2.372 0.520 14.825 1.00 1.00 C ATOM 1472 O SER A 94 3.075 0.219 15.789 1.00 1.00 O ATOM 1473 CB SER A 94 4.124 2.133 14.080 1.00 1.00 C ATOM 1474 OG SER A 94 5.115 1.327 14.704 1.00 1.00 O ATOM 0 H SER A 94 1.278 2.497 13.590 1.00 1.00 H new ATOM 0 HA SER A 94 3.332 0.509 12.910 1.00 1.00 H new ATOM 0 HB2 SER A 94 4.552 2.661 13.228 1.00 1.00 H new ATOM 0 HB3 SER A 94 3.764 2.891 14.776 1.00 1.00 H new ATOM 0 HG SER A 94 4.701 0.786 15.408 1.00 1.00 H new ATOM 1480 N ALA A 95 1.073 0.243 14.761 1.00 1.00 N ATOM 1481 CA ALA A 95 0.395 -0.448 15.850 1.00 1.00 C ATOM 1482 C ALA A 95 0.439 0.387 17.125 1.00 1.00 C ATOM 1483 O ALA A 95 1.513 0.853 17.469 1.00 1.00 O ATOM 1484 CB ALA A 95 1.061 -1.802 16.103 1.00 1.00 C ATOM 1485 OXT ALA A 95 -0.602 0.551 17.740 1.00 1.00 O ATOM 0 H ALA A 95 0.473 0.485 13.972 1.00 1.00 H new ATOM 0 HA ALA A 95 -0.646 -0.601 15.565 1.00 1.00 H new ATOM 0 HB1 ALA A 95 0.549 -2.313 16.918 1.00 1.00 H new ATOM 0 HB2 ALA A 95 1.003 -2.410 15.200 1.00 1.00 H new ATOM 0 HB3 ALA A 95 2.106 -1.649 16.371 1.00 1.00 H new TER 1491 ALA A 95