USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -2.57! (180deg=-3.24!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.253 X(o=-0.25,f=0.023) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.924 K(o=-0.92,f=-1.5) USER MOD Single : A 19 THR OG1 : rot -125:sc= -4.29! USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -3.67! (180deg=-8.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.324 K(o=0.32,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0906 (180deg=-0.758) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 31 ASN : amide:sc= -5.31! C(o=-5.3!,f=-9.9!) USER MOD Single : A 33 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -4.6! (180deg=-8.43!) USER MOD Single : A 40 THR OG1 : rot 44:sc= -5.23! USER MOD Single : A 42 GLN : amide:sc= -14.5! C(o=-14!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 52 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.95) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -3.6! (180deg=-8.8!) USER MOD Single : A 54 ASN : amide:sc= -8.73! C(o=-8.7!,f=-3.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 62:sc= 0.216! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 155:sc= -3.55! (180deg=-5.13!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0327 (180deg=-0.0327) USER MOD Single : A 73 LYS NZ :NH3+ 143:sc= -0.463 (180deg=-1.19) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.0148 (180deg=-0.153) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 0.188 (180deg=0.185) USER MOD Single : A 100 LYS NZ :NH3+ -132:sc= -1.34 (180deg=-4.01!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -7.35! C(o=-7.3!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.678 4.105 -1.217 1.00 0.00 N ATOM 2 CA GLY A 1 -17.297 4.149 -0.662 1.00 0.00 C ATOM 3 C GLY A 1 -16.784 5.566 -0.493 1.00 0.00 C ATOM 4 O GLY A 1 -16.673 6.313 -1.463 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.982 3.115 -1.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.326 4.606 -0.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.692 4.564 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.280 3.643 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.626 3.599 -1.322 1.00 0.00 H new ATOM 10 N ASP A 2 -16.471 5.935 0.747 1.00 0.00 N ATOM 11 CA ASP A 2 -15.968 7.272 1.040 1.00 0.00 C ATOM 12 C ASP A 2 -14.527 7.213 1.535 1.00 0.00 C ATOM 13 O ASP A 2 -14.070 6.180 2.027 1.00 0.00 O ATOM 14 CB ASP A 2 -16.851 7.953 2.088 1.00 0.00 C ATOM 15 CG ASP A 2 -18.329 7.735 1.827 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.680 7.325 0.700 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.136 7.973 2.752 1.00 0.00 O ATOM 0 H ASP A 2 -16.557 5.328 1.562 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.994 7.854 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.599 7.569 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.640 9.022 2.098 1.00 0.00 H new ATOM 22 N VAL A 3 -13.815 8.327 1.400 1.00 0.00 N ATOM 23 CA VAL A 3 -12.423 8.402 1.834 1.00 0.00 C ATOM 24 C VAL A 3 -12.306 8.196 3.340 1.00 0.00 C ATOM 25 O VAL A 3 -11.403 7.505 3.813 1.00 0.00 O ATOM 26 CB VAL A 3 -11.791 9.756 1.462 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.751 10.162 2.495 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.178 9.694 0.072 1.00 0.00 C ATOM 0 H VAL A 3 -14.178 9.190 0.994 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.887 7.606 1.318 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.575 10.513 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.315 11.121 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.224 10.250 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.967 9.406 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.736 10.660 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.406 8.925 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.952 9.453 -0.657 1.00 0.00 H new ATOM 38 N GLU A 4 -13.223 8.799 4.089 1.00 0.00 N ATOM 39 CA GLU A 4 -13.222 8.679 5.543 1.00 0.00 C ATOM 40 C GLU A 4 -13.340 7.220 5.967 1.00 0.00 C ATOM 41 O GLU A 4 -12.606 6.755 6.840 1.00 0.00 O ATOM 42 CB GLU A 4 -14.369 9.493 6.145 1.00 0.00 C ATOM 43 CG GLU A 4 -14.508 9.329 7.648 1.00 0.00 C ATOM 44 CD GLU A 4 -15.844 9.822 8.168 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.621 8.996 8.689 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.112 11.038 8.054 1.00 0.00 O ATOM 0 H GLU A 4 -13.976 9.376 3.714 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.275 9.071 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.214 10.547 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.303 9.197 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.387 8.277 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.705 9.874 8.145 1.00 0.00 H new ATOM 53 N LYS A 5 -14.266 6.500 5.342 1.00 0.00 N ATOM 54 CA LYS A 5 -14.478 5.092 5.655 1.00 0.00 C ATOM 55 C LYS A 5 -13.253 4.265 5.283 1.00 0.00 C ATOM 56 O LYS A 5 -12.884 3.328 5.993 1.00 0.00 O ATOM 57 CB LYS A 5 -15.708 4.564 4.914 1.00 0.00 C ATOM 58 CG LYS A 5 -16.965 5.381 5.164 1.00 0.00 C ATOM 59 CD LYS A 5 -18.173 4.489 5.407 1.00 0.00 C ATOM 60 CE LYS A 5 -19.039 4.375 4.163 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.141 2.968 3.685 1.00 0.00 N ATOM 0 H LYS A 5 -14.881 6.868 4.616 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.643 5.003 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.500 4.551 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.889 3.532 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.812 6.030 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.156 6.028 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.839 3.497 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.765 4.892 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.036 4.759 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.622 4.998 3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.740 2.933 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.192 2.610 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.563 2.378 4.430 1.00 0.00 H new ATOM 75 N GLY A 6 -12.626 4.618 4.166 1.00 0.00 N ATOM 76 CA GLY A 6 -11.448 3.900 3.718 1.00 0.00 C ATOM 77 C GLY A 6 -10.297 4.013 4.688 1.00 0.00 C ATOM 78 O GLY A 6 -9.592 3.039 4.945 1.00 0.00 O ATOM 0 H GLY A 6 -12.913 5.389 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.699 2.849 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.139 4.286 2.747 1.00 0.00 H new ATOM 82 N LYS A 7 -10.098 5.211 5.215 1.00 0.00 N ATOM 83 CA LYS A 7 -9.012 5.453 6.145 1.00 0.00 C ATOM 84 C LYS A 7 -9.117 4.534 7.361 1.00 0.00 C ATOM 85 O LYS A 7 -8.122 3.963 7.805 1.00 0.00 O ATOM 86 CB LYS A 7 -9.004 6.917 6.592 1.00 0.00 C ATOM 87 CG LYS A 7 -8.297 7.144 7.918 1.00 0.00 C ATOM 88 CD LYS A 7 -9.257 7.656 8.980 1.00 0.00 C ATOM 89 CE LYS A 7 -8.692 8.870 9.700 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.257 10.143 9.171 1.00 0.00 N ATOM 0 H LYS A 7 -10.674 6.028 5.014 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.076 5.236 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.520 7.520 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.032 7.269 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.844 6.211 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.487 7.861 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.209 7.916 8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.459 6.865 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.907 8.793 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.607 8.883 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.846 10.946 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.030 10.230 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.290 10.143 9.295 1.00 0.00 H new ATOM 104 N LYS A 8 -10.204 4.444 7.936 1.00 0.00 N ATOM 105 CA LYS A 8 -10.537 3.578 9.058 1.00 0.00 C ATOM 106 C LYS A 8 -10.312 2.109 8.719 1.00 0.00 C ATOM 107 O LYS A 8 -9.842 1.331 9.553 1.00 0.00 O ATOM 108 CB LYS A 8 -12.001 3.806 9.437 1.00 0.00 C ATOM 109 CG LYS A 8 -12.686 2.568 9.994 1.00 0.00 C ATOM 110 CD LYS A 8 -13.415 1.796 8.904 1.00 0.00 C ATOM 111 CE LYS A 8 -13.824 0.413 9.380 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.763 -0.600 9.118 1.00 0.00 N ATOM 0 H LYS A 8 -11.002 5.010 7.645 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.884 3.825 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.056 4.605 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.546 4.148 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.945 1.922 10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.394 2.860 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.300 2.351 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.772 1.705 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.039 0.445 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.744 0.113 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.931 -1.439 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.784 -0.873 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.833 -0.196 9.347 1.00 0.00 H new ATOM 126 N ILE A 9 -10.642 1.734 7.488 1.00 0.00 N ATOM 127 CA ILE A 9 -10.473 0.358 7.040 1.00 0.00 C ATOM 128 C ILE A 9 -9.007 -0.048 7.089 1.00 0.00 C ATOM 129 O ILE A 9 -8.674 -1.128 7.564 1.00 0.00 O ATOM 130 CB ILE A 9 -11.001 0.162 5.608 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.502 -0.133 5.629 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.245 -0.960 4.913 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.116 -0.243 4.250 1.00 0.00 C ATOM 0 H ILE A 9 -11.028 2.363 6.784 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.050 -0.272 7.717 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.839 1.084 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.674 -1.064 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.011 0.656 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.630 -1.086 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.185 -0.712 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.378 -1.888 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.182 -0.453 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.976 0.695 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.633 -1.051 3.700 1.00 0.00 H new ATOM 145 N PHE A 10 -8.139 0.831 6.595 1.00 0.00 N ATOM 146 CA PHE A 10 -6.701 0.580 6.584 1.00 0.00 C ATOM 147 C PHE A 10 -6.146 0.507 8.000 1.00 0.00 C ATOM 148 O PHE A 10 -5.241 -0.279 8.289 1.00 0.00 O ATOM 149 CB PHE A 10 -5.979 1.678 5.803 1.00 0.00 C ATOM 150 CG PHE A 10 -4.572 1.920 6.271 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.497 1.695 5.428 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.325 2.373 7.560 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.201 1.916 5.857 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.031 2.595 7.995 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.969 2.367 7.143 1.00 0.00 C ATOM 0 H PHE A 10 -8.409 1.729 6.195 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.532 -0.381 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.961 1.410 4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.546 2.605 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.673 1.342 4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.152 2.554 8.230 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.372 1.737 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.852 2.946 9.000 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.958 2.541 7.481 1.00 0.00 H new ATOM 220 N CYS A 14 -4.554 -3.386 8.839 1.00 0.00 N ATOM 221 CA CYS A 14 -3.177 -3.752 8.716 1.00 0.00 C ATOM 222 C CYS A 14 -2.215 -2.719 9.118 1.00 0.00 C ATOM 223 O CYS A 14 -1.035 -2.895 8.808 1.00 0.00 O ATOM 224 CB CYS A 14 -2.757 -4.704 7.457 1.00 0.00 C ATOM 225 SG CYS A 14 -3.341 -4.144 5.740 1.00 0.00 S ATOM 0 HA CYS A 14 -3.079 -4.486 9.516 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.670 -4.785 7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.148 -5.705 7.641 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.933 -4.993 4.844 1.00 0.00 H new ATOM 230 N ALA A 15 -2.699 -1.534 9.479 1.00 0.00 N ATOM 231 CA ALA A 15 -1.855 -0.348 9.535 1.00 0.00 C ATOM 232 C ALA A 15 -0.622 -0.593 10.398 1.00 0.00 C ATOM 233 O ALA A 15 0.436 -0.006 10.166 1.00 0.00 O ATOM 234 CB ALA A 15 -2.648 0.837 10.067 1.00 0.00 C ATOM 0 H ALA A 15 -3.672 -1.371 9.737 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.518 -0.122 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.006 1.717 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.495 1.033 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.012 0.611 11.069 1.00 0.00 H new ATOM 240 N GLN A 16 -0.760 -1.464 11.389 1.00 0.00 N ATOM 241 CA GLN A 16 0.347 -1.786 12.281 1.00 0.00 C ATOM 242 C GLN A 16 1.570 -2.223 11.481 1.00 0.00 C ATOM 243 O GLN A 16 2.706 -1.921 11.846 1.00 0.00 O ATOM 244 CB GLN A 16 -0.059 -2.890 13.260 1.00 0.00 C ATOM 245 CG GLN A 16 -1.564 -3.018 13.441 1.00 0.00 C ATOM 246 CD GLN A 16 -1.933 -3.842 14.659 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.687 -4.811 14.560 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.405 -3.462 15.815 1.00 0.00 N ATOM 0 H GLN A 16 -1.627 -1.960 11.596 1.00 0.00 H new ATOM 0 HA GLN A 16 0.601 -0.890 12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.339 -3.842 12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.400 -2.692 14.229 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.002 -2.024 13.532 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.996 -3.476 12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.785 -2.653 15.851 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.619 -3.979 16.668 1.00 0.00 H new ATOM 257 N CYS A 17 1.325 -2.932 10.383 1.00 0.00 N ATOM 258 CA CYS A 17 2.401 -3.409 9.524 1.00 0.00 C ATOM 259 C CYS A 17 2.941 -2.278 8.654 1.00 0.00 C ATOM 260 O CYS A 17 4.060 -2.353 8.146 1.00 0.00 O ATOM 261 CB CYS A 17 1.905 -4.552 8.637 1.00 0.00 C ATOM 262 SG CYS A 17 1.924 -6.146 9.446 1.00 0.00 S ATOM 0 H CYS A 17 0.389 -3.188 10.068 1.00 0.00 H new ATOM 0 HA CYS A 17 3.206 -3.774 10.161 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.889 -4.332 8.310 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.525 -4.601 7.742 1.00 0.00 H new ATOM 0 HG CYS A 17 1.487 -7.054 8.625 1.00 0.00 H new ATOM 267 N HIS A 18 2.136 -1.236 8.487 1.00 0.00 N ATOM 268 CA HIS A 18 2.530 -0.091 7.677 1.00 0.00 C ATOM 269 C HIS A 18 2.741 1.146 8.544 1.00 0.00 C ATOM 270 O HIS A 18 2.715 2.275 8.052 1.00 0.00 O ATOM 271 CB HIS A 18 1.470 0.192 6.609 1.00 0.00 C ATOM 272 CG HIS A 18 1.173 -0.991 5.743 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.274 -0.962 4.368 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.782 -2.248 6.062 1.00 0.00 C ATOM 275 CE1 HIS A 18 0.955 -2.148 3.880 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.653 -2.947 4.888 1.00 0.00 N ATOM 0 H HIS A 18 1.207 -1.161 8.902 1.00 0.00 H new ATOM 0 HA HIS A 18 3.474 -0.331 7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.551 0.517 7.096 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.807 1.017 5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.605 -2.630 7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.943 -2.418 2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.370 -3.924 4.807 1.00 0.00 H new ATOM 284 N THR A 19 2.951 0.925 9.837 1.00 0.00 N ATOM 285 CA THR A 19 3.167 2.016 10.775 1.00 0.00 C ATOM 286 C THR A 19 2.087 3.082 10.635 1.00 0.00 C ATOM 287 O THR A 19 1.423 3.177 9.602 1.00 0.00 O ATOM 288 CB THR A 19 4.547 2.640 10.558 1.00 0.00 C ATOM 289 OG1 THR A 19 5.558 1.649 10.608 1.00 0.00 O ATOM 290 CG2 THR A 19 4.892 3.699 11.583 1.00 0.00 C ATOM 0 H THR A 19 2.976 -0.003 10.259 1.00 0.00 H new ATOM 0 HA THR A 19 3.116 1.606 11.783 1.00 0.00 H new ATOM 0 HB THR A 19 4.501 3.109 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.229 1.900 11.277 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.883 4.101 11.372 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.157 4.503 11.537 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.885 3.257 12.579 1.00 0.00 H new ATOM 298 N VAL A 20 1.920 3.879 11.682 1.00 0.00 N ATOM 299 CA VAL A 20 0.924 4.943 11.690 1.00 0.00 C ATOM 300 C VAL A 20 1.465 6.213 11.038 1.00 0.00 C ATOM 301 O VAL A 20 2.145 6.155 10.014 1.00 0.00 O ATOM 302 CB VAL A 20 0.459 5.265 13.121 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.899 5.947 13.103 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.417 3.998 13.961 1.00 0.00 C ATOM 0 H VAL A 20 2.465 3.808 12.541 1.00 0.00 H new ATOM 0 HA VAL A 20 0.072 4.583 11.114 1.00 0.00 H new ATOM 0 HB VAL A 20 1.175 5.952 13.572 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.210 6.166 14.125 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.832 6.876 12.537 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.631 5.289 12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.086 4.242 14.971 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.278 3.287 13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.412 3.556 14.002 1.00 0.00 H new ATOM 314 N GLU A 21 1.152 7.357 11.634 1.00 0.00 N ATOM 315 CA GLU A 21 1.597 8.643 11.112 1.00 0.00 C ATOM 316 C GLU A 21 3.112 8.782 11.206 1.00 0.00 C ATOM 317 O GLU A 21 3.739 8.283 12.143 1.00 0.00 O ATOM 318 CB GLU A 21 0.921 9.788 11.869 1.00 0.00 C ATOM 319 CG GLU A 21 -0.188 9.329 12.802 1.00 0.00 C ATOM 320 CD GLU A 21 -0.849 10.483 13.532 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.987 10.305 14.015 1.00 0.00 O ATOM 322 OE2 GLU A 21 -0.230 11.565 13.619 1.00 0.00 O ATOM 0 H GLU A 21 0.589 7.420 12.483 1.00 0.00 H new ATOM 0 HA GLU A 21 1.313 8.692 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.673 10.324 12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.509 10.495 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.940 8.788 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.221 8.629 13.531 1.00 0.00 H new ATOM 329 N LYS A 22 3.697 9.460 10.221 1.00 0.00 N ATOM 330 CA LYS A 22 5.138 9.662 10.184 1.00 0.00 C ATOM 331 C LYS A 22 5.635 10.244 11.502 1.00 0.00 C ATOM 332 O LYS A 22 5.204 11.319 11.921 1.00 0.00 O ATOM 333 CB LYS A 22 5.518 10.587 9.028 1.00 0.00 C ATOM 334 CG LYS A 22 6.978 10.481 8.617 1.00 0.00 C ATOM 335 CD LYS A 22 7.904 10.630 9.810 1.00 0.00 C ATOM 336 CE LYS A 22 7.677 11.950 10.531 1.00 0.00 C ATOM 337 NZ LYS A 22 8.450 12.031 11.802 1.00 0.00 N ATOM 0 H LYS A 22 3.193 9.878 9.439 1.00 0.00 H new ATOM 0 HA LYS A 22 5.613 8.693 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.890 10.356 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.303 11.617 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.153 9.518 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.206 11.251 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.743 9.804 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.940 10.570 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.965 12.774 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.615 12.069 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.808 12.274 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.898 11.113 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.184 12.763 11.716 1.00 0.00 H new ATOM 351 N GLY A 23 6.538 9.521 12.151 1.00 0.00 N ATOM 352 CA GLY A 23 7.081 9.967 13.419 1.00 0.00 C ATOM 353 C GLY A 23 7.419 8.804 14.326 1.00 0.00 C ATOM 354 O GLY A 23 8.361 8.872 15.115 1.00 0.00 O ATOM 0 H GLY A 23 6.906 8.629 11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.977 10.562 13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.360 10.617 13.915 1.00 0.00 H new ATOM 358 N GLY A 24 6.646 7.726 14.210 1.00 0.00 N ATOM 359 CA GLY A 24 6.886 6.551 15.027 1.00 0.00 C ATOM 360 C GLY A 24 8.049 5.723 14.517 1.00 0.00 C ATOM 361 O GLY A 24 9.132 6.250 14.268 1.00 0.00 O ATOM 0 H GLY A 24 5.859 7.647 13.565 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.085 6.859 16.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.986 5.936 15.048 1.00 0.00 H new ATOM 365 N LYS A 25 7.823 4.421 14.360 1.00 0.00 N ATOM 366 CA LYS A 25 8.862 3.520 13.874 1.00 0.00 C ATOM 367 C LYS A 25 8.539 3.029 12.468 1.00 0.00 C ATOM 368 O LYS A 25 7.378 3.016 12.054 1.00 0.00 O ATOM 369 CB LYS A 25 9.016 2.327 14.819 1.00 0.00 C ATOM 370 CG LYS A 25 8.269 2.492 16.133 1.00 0.00 C ATOM 371 CD LYS A 25 7.787 1.154 16.672 1.00 0.00 C ATOM 372 CE LYS A 25 6.896 0.440 15.670 1.00 0.00 C ATOM 373 NZ LYS A 25 7.423 -0.906 15.317 1.00 0.00 N ATOM 0 H LYS A 25 6.932 3.968 14.562 1.00 0.00 H new ATOM 0 HA LYS A 25 9.801 4.072 13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.658 1.428 14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.075 2.175 15.029 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.921 2.967 16.866 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.416 3.155 15.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.645 0.526 16.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.239 1.311 17.601 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.893 0.340 16.084 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.809 1.044 14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.786 -1.359 14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.370 -0.809 14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.482 -1.492 16.174 1.00 0.00 H new ATOM 387 N HIS A 26 9.570 2.622 11.731 1.00 0.00 N ATOM 388 CA HIS A 26 9.390 2.130 10.371 1.00 0.00 C ATOM 389 C HIS A 26 8.538 0.865 10.364 1.00 0.00 C ATOM 390 O HIS A 26 8.667 0.012 11.241 1.00 0.00 O ATOM 391 CB HIS A 26 10.742 1.851 9.711 1.00 0.00 C ATOM 392 CG HIS A 26 11.914 2.146 10.594 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.136 1.504 11.793 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.937 3.021 10.445 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.242 1.973 12.345 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.747 2.894 11.545 1.00 0.00 N ATOM 0 H HIS A 26 10.537 2.624 12.054 1.00 0.00 H new ATOM 0 HA HIS A 26 8.876 2.903 9.801 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.780 0.804 9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.823 2.448 8.803 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.087 3.694 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.661 1.657 13.289 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.601 3.425 11.717 1.00 0.00 H new ATOM 405 N LYS A 27 7.668 0.754 9.368 1.00 0.00 N ATOM 406 CA LYS A 27 6.791 -0.404 9.244 1.00 0.00 C ATOM 407 C LYS A 27 7.479 -1.528 8.476 1.00 0.00 C ATOM 408 O LYS A 27 8.574 -1.351 7.942 1.00 0.00 O ATOM 409 CB LYS A 27 5.494 -0.012 8.535 1.00 0.00 C ATOM 410 CG LYS A 27 5.577 -0.121 7.022 1.00 0.00 C ATOM 411 CD LYS A 27 5.048 1.131 6.341 1.00 0.00 C ATOM 412 CE LYS A 27 5.482 2.389 7.077 1.00 0.00 C ATOM 413 NZ LYS A 27 6.064 3.399 6.152 1.00 0.00 N ATOM 0 H LYS A 27 7.551 1.452 8.634 1.00 0.00 H new ATOM 0 HA LYS A 27 6.558 -0.761 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.686 -0.649 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.236 1.012 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.612 -0.288 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.006 -0.987 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.408 1.167 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.960 1.091 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.625 2.821 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.216 2.129 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.968 3.740 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.225 2.965 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.406 4.198 6.053 1.00 0.00 H new ATOM 427 N THR A 28 6.829 -2.685 8.422 1.00 0.00 N ATOM 428 CA THR A 28 7.374 -3.840 7.719 1.00 0.00 C ATOM 429 C THR A 28 7.390 -3.599 6.212 1.00 0.00 C ATOM 430 O THR A 28 8.333 -3.985 5.523 1.00 0.00 O ATOM 431 CB THR A 28 6.559 -5.092 8.041 1.00 0.00 C ATOM 432 OG1 THR A 28 5.954 -4.984 9.317 1.00 0.00 O ATOM 433 CG2 THR A 28 7.382 -6.363 8.028 1.00 0.00 C ATOM 0 H THR A 28 5.921 -2.848 8.858 1.00 0.00 H new ATOM 0 HA THR A 28 8.400 -3.990 8.056 1.00 0.00 H new ATOM 0 HB THR A 28 5.808 -5.157 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.436 -5.795 9.503 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.742 -7.213 8.264 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.820 -6.503 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.177 -6.289 8.770 1.00 0.00 H new ATOM 441 N GLY A 29 6.340 -2.956 5.710 1.00 0.00 N ATOM 442 CA GLY A 29 6.252 -2.674 4.291 1.00 0.00 C ATOM 443 C GLY A 29 5.777 -1.262 4.010 1.00 0.00 C ATOM 444 O GLY A 29 5.008 -0.697 4.787 1.00 0.00 O ATOM 0 H GLY A 29 5.549 -2.626 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.230 -2.823 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.569 -3.384 3.824 1.00 0.00 H new ATOM 448 N PRO A 30 6.218 -0.664 2.894 1.00 0.00 N ATOM 449 CA PRO A 30 5.827 0.696 2.518 1.00 0.00 C ATOM 450 C PRO A 30 4.339 0.952 2.730 1.00 0.00 C ATOM 451 O PRO A 30 3.492 0.255 2.170 1.00 0.00 O ATOM 452 CB PRO A 30 6.181 0.752 1.035 1.00 0.00 C ATOM 453 CG PRO A 30 7.341 -0.175 0.893 1.00 0.00 C ATOM 454 CD PRO A 30 7.133 -1.269 1.908 1.00 0.00 C ATOM 0 HA PRO A 30 6.326 1.454 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.342 0.436 0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.442 1.765 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.390 -0.585 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.281 0.348 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.699 -2.160 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.074 -1.572 2.368 1.00 0.00 H new ATOM 462 N ASN A 31 4.028 1.953 3.545 1.00 0.00 N ATOM 463 CA ASN A 31 2.643 2.302 3.835 1.00 0.00 C ATOM 464 C ASN A 31 1.858 2.546 2.551 1.00 0.00 C ATOM 465 O ASN A 31 0.882 1.852 2.267 1.00 0.00 O ATOM 466 CB ASN A 31 2.583 3.545 4.727 1.00 0.00 C ATOM 467 CG ASN A 31 1.388 3.531 5.660 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.640 2.556 5.714 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.205 4.617 6.403 1.00 0.00 N ATOM 0 H ASN A 31 4.717 2.538 4.017 1.00 0.00 H new ATOM 0 HA ASN A 31 2.189 1.462 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.498 3.611 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.541 4.436 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.419 4.665 7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.851 5.403 6.326 1.00 0.00 H new ATOM 476 N LEU A 32 2.289 3.538 1.779 1.00 0.00 N ATOM 477 CA LEU A 32 1.624 3.882 0.628 1.00 0.00 C ATOM 478 C LEU A 32 2.381 4.969 -0.218 1.00 0.00 C ATOM 479 O LEU A 32 2.336 5.044 -1.445 1.00 0.00 O ATOM 480 CB LEU A 32 0.190 4.338 0.699 1.00 0.00 C ATOM 481 CG LEU A 32 -0.345 5.514 1.536 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.235 5.459 2.940 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.050 6.799 0.848 1.00 0.00 C ATOM 0 H LEU A 32 3.117 4.100 1.976 1.00 0.00 H new ATOM 0 HA LEU A 32 1.605 2.894 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.102 4.552 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.381 3.466 1.018 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.430 5.458 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.149 6.295 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.052 4.521 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.322 5.522 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.319 7.648 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.136 6.854 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.382 6.824 -0.152 1.00 0.00 H new ATOM 495 N HIS A 33 3.076 5.817 0.535 1.00 0.00 N ATOM 496 CA HIS A 33 3.844 6.908 -0.056 1.00 0.00 C ATOM 497 C HIS A 33 4.715 6.399 -1.199 1.00 0.00 C ATOM 498 O HIS A 33 5.523 5.488 -1.021 1.00 0.00 O ATOM 499 CB HIS A 33 4.716 7.579 1.006 1.00 0.00 C ATOM 500 CG HIS A 33 4.554 9.067 1.060 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.518 9.911 1.568 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.529 9.860 0.666 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.094 11.159 1.485 1.00 0.00 C ATOM 504 NE2 HIS A 33 3.891 11.157 0.942 1.00 0.00 N ATOM 0 H HIS A 33 3.123 5.770 1.553 1.00 0.00 H new ATOM 0 HA HIS A 33 3.143 7.641 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.473 7.159 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.762 7.342 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.601 9.534 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.640 12.034 1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.322 11.983 0.757 1.00 0.00 H new ATOM 513 N GLY A 34 4.543 6.995 -2.377 1.00 0.00 N ATOM 514 CA GLY A 34 5.318 6.586 -3.531 1.00 0.00 C ATOM 515 C GLY A 34 4.900 5.231 -4.061 1.00 0.00 C ATOM 516 O GLY A 34 5.632 4.601 -4.827 1.00 0.00 O ATOM 0 H GLY A 34 3.882 7.752 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.209 7.330 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.374 6.558 -3.263 1.00 0.00 H new ATOM 520 N LEU A 35 3.719 4.777 -3.655 1.00 0.00 N ATOM 521 CA LEU A 35 3.203 3.484 -4.092 1.00 0.00 C ATOM 522 C LEU A 35 3.037 3.453 -5.606 1.00 0.00 C ATOM 523 O LEU A 35 3.467 2.508 -6.269 1.00 0.00 O ATOM 524 CB LEU A 35 1.860 3.194 -3.414 1.00 0.00 C ATOM 525 CG LEU A 35 1.300 1.793 -3.669 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.321 0.732 -3.292 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.006 1.591 -2.896 1.00 0.00 C ATOM 0 H LEU A 35 3.100 5.286 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 35 3.921 2.715 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.974 3.334 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.131 3.929 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 35 1.085 1.695 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.904 -0.257 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.223 0.866 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.570 0.826 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.380 0.590 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.197 1.708 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.728 2.330 -3.216 1.00 0.00 H new ATOM 539 N PHE A 36 2.416 4.494 -6.150 1.00 0.00 N ATOM 540 CA PHE A 36 2.196 4.587 -7.589 1.00 0.00 C ATOM 541 C PHE A 36 3.071 5.676 -8.203 1.00 0.00 C ATOM 542 O PHE A 36 2.850 6.099 -9.336 1.00 0.00 O ATOM 543 CB PHE A 36 0.721 4.870 -7.885 1.00 0.00 C ATOM 544 CG PHE A 36 -0.214 4.358 -6.827 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.801 3.108 -6.947 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.508 5.127 -5.711 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.663 2.634 -5.977 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.369 4.658 -4.738 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.946 3.411 -4.869 1.00 0.00 C ATOM 0 H PHE A 36 2.056 5.285 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 36 2.470 3.631 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.581 5.946 -7.992 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.458 4.417 -8.841 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.582 2.497 -7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.059 6.103 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.115 1.659 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.591 5.267 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.617 3.043 -4.107 1.00 0.00 H new ATOM 559 N GLY A 37 4.063 6.125 -7.443 1.00 0.00 N ATOM 560 CA GLY A 37 4.959 7.161 -7.924 1.00 0.00 C ATOM 561 C GLY A 37 6.414 6.741 -7.864 1.00 0.00 C ATOM 562 O GLY A 37 7.195 7.048 -8.765 1.00 0.00 O ATOM 0 H GLY A 37 4.263 5.790 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.699 7.414 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.819 8.063 -7.329 1.00 0.00 H new ATOM 566 N ARG A 38 6.779 6.032 -6.800 1.00 0.00 N ATOM 567 CA ARG A 38 8.148 5.565 -6.624 1.00 0.00 C ATOM 568 C ARG A 38 8.340 4.198 -7.274 1.00 0.00 C ATOM 569 O ARG A 38 7.370 3.548 -7.660 1.00 0.00 O ATOM 570 CB ARG A 38 8.498 5.495 -5.138 1.00 0.00 C ATOM 571 CG ARG A 38 8.572 6.858 -4.465 1.00 0.00 C ATOM 572 CD ARG A 38 9.273 6.777 -3.119 1.00 0.00 C ATOM 573 NE ARG A 38 10.383 7.721 -3.025 1.00 0.00 N ATOM 574 CZ ARG A 38 10.274 9.016 -3.306 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.112 9.515 -3.700 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.328 9.810 -3.195 1.00 0.00 N ATOM 0 H ARG A 38 6.144 5.769 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 38 8.816 6.275 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.753 4.886 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.457 4.989 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.104 7.556 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.565 7.253 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.556 6.980 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.644 5.764 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 38 11.292 7.367 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.299 8.906 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.030 10.509 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.225 9.428 -2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.243 10.803 -3.411 1.00 0.00 H new ATOM 590 N LYS A 39 9.592 3.769 -7.398 1.00 0.00 N ATOM 591 CA LYS A 39 9.896 2.483 -8.014 1.00 0.00 C ATOM 592 C LYS A 39 9.138 1.350 -7.335 1.00 0.00 C ATOM 593 O LYS A 39 7.987 1.073 -7.674 1.00 0.00 O ATOM 594 CB LYS A 39 11.399 2.196 -7.973 1.00 0.00 C ATOM 595 CG LYS A 39 11.798 0.903 -8.677 1.00 0.00 C ATOM 596 CD LYS A 39 10.698 0.406 -9.607 1.00 0.00 C ATOM 597 CE LYS A 39 10.385 1.421 -10.690 1.00 0.00 C ATOM 598 NZ LYS A 39 9.065 1.164 -11.328 1.00 0.00 N ATOM 0 H LYS A 39 10.409 4.291 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 39 9.576 2.540 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.931 3.029 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.722 2.147 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.712 1.067 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.020 0.137 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.005 -0.534 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.797 0.200 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.392 2.423 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.166 1.394 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.647 2.065 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.193 0.542 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.432 0.705 -10.643 1.00 0.00 H new ATOM 612 N THR A 40 9.789 0.477 -6.614 1.00 0.00 N ATOM 613 CA THR A 40 9.061 -0.466 -5.696 1.00 0.00 C ATOM 614 C THR A 40 9.764 -0.588 -4.257 1.00 0.00 C ATOM 615 O THR A 40 10.712 -1.184 -4.007 1.00 0.00 O ATOM 616 CB THR A 40 8.883 -1.876 -6.095 1.00 0.00 C ATOM 617 OG1 THR A 40 10.084 -2.576 -6.320 1.00 0.00 O ATOM 618 CG2 THR A 40 7.799 -2.226 -6.946 1.00 0.00 C ATOM 0 H THR A 40 10.803 0.371 -6.617 1.00 0.00 H new ATOM 0 HA THR A 40 8.088 0.025 -5.715 1.00 0.00 H new ATOM 0 HB THR A 40 8.481 -2.280 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.724 -2.366 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.819 -3.299 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.858 -1.960 -6.464 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.888 -1.687 -7.889 1.00 0.00 H new ATOM 626 N GLY A 41 8.900 0.004 -3.309 1.00 0.00 N ATOM 627 CA GLY A 41 9.275 -0.065 -1.907 1.00 0.00 C ATOM 628 C GLY A 41 10.668 0.473 -1.634 1.00 0.00 C ATOM 629 O GLY A 41 11.392 -0.062 -0.794 1.00 0.00 O ATOM 0 H GLY A 41 8.024 0.483 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.553 0.498 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.221 -1.101 -1.574 1.00 0.00 H new ATOM 633 N GLN A 42 11.047 1.532 -2.343 1.00 0.00 N ATOM 634 CA GLN A 42 12.365 2.135 -2.163 1.00 0.00 C ATOM 635 C GLN A 42 12.282 3.390 -1.301 1.00 0.00 C ATOM 636 O GLN A 42 12.893 4.414 -1.614 1.00 0.00 O ATOM 637 CB GLN A 42 12.985 2.477 -3.522 1.00 0.00 C ATOM 638 CG GLN A 42 11.978 2.533 -4.657 1.00 0.00 C ATOM 639 CD GLN A 42 10.820 3.464 -4.359 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.018 4.618 -3.980 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.601 2.963 -4.531 1.00 0.00 N ATOM 0 H GLN A 42 10.464 1.989 -3.044 1.00 0.00 H new ATOM 0 HA GLN A 42 12.998 1.409 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.490 3.440 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.747 1.735 -3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.479 2.862 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.595 1.531 -4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.485 2.000 -4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.781 3.541 -4.347 1.00 0.00 H new ATOM 650 N ALA A 43 11.524 3.308 -0.212 1.00 0.00 N ATOM 651 CA ALA A 43 11.362 4.437 0.697 1.00 0.00 C ATOM 652 C ALA A 43 12.714 4.968 1.165 1.00 0.00 C ATOM 653 O ALA A 43 13.761 4.419 0.822 1.00 0.00 O ATOM 654 CB ALA A 43 10.510 4.036 1.891 1.00 0.00 C ATOM 0 H ALA A 43 11.012 2.470 0.063 1.00 0.00 H new ATOM 0 HA ALA A 43 10.856 5.236 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.398 4.889 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.528 3.714 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.993 3.217 2.424 1.00 0.00 H new ATOM 660 N PRO A 44 12.705 6.053 1.955 1.00 0.00 N ATOM 661 CA PRO A 44 13.928 6.669 2.472 1.00 0.00 C ATOM 662 C PRO A 44 14.495 5.926 3.679 1.00 0.00 C ATOM 663 O PRO A 44 15.111 4.870 3.535 1.00 0.00 O ATOM 664 CB PRO A 44 13.456 8.065 2.873 1.00 0.00 C ATOM 665 CG PRO A 44 12.034 7.876 3.272 1.00 0.00 C ATOM 666 CD PRO A 44 11.494 6.768 2.404 1.00 0.00 C ATOM 0 HA PRO A 44 14.736 6.662 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.050 8.464 3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.546 8.768 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.958 7.615 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.465 8.794 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.826 6.112 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.925 7.161 1.561 1.00 0.00 H new ATOM 674 N GLY A 45 14.287 6.485 4.869 1.00 0.00 N ATOM 675 CA GLY A 45 14.786 5.862 6.083 1.00 0.00 C ATOM 676 C GLY A 45 14.035 4.594 6.436 1.00 0.00 C ATOM 677 O GLY A 45 14.261 4.001 7.489 1.00 0.00 O ATOM 0 H GLY A 45 13.781 7.359 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.844 5.631 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.707 6.569 6.909 1.00 0.00 H new ATOM 681 N PHE A 46 13.137 4.178 5.548 1.00 0.00 N ATOM 682 CA PHE A 46 12.346 2.972 5.764 1.00 0.00 C ATOM 683 C PHE A 46 13.133 1.727 5.373 1.00 0.00 C ATOM 684 O PHE A 46 13.773 1.690 4.322 1.00 0.00 O ATOM 685 CB PHE A 46 11.047 3.039 4.962 1.00 0.00 C ATOM 686 CG PHE A 46 10.171 1.832 5.147 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.432 1.669 6.308 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.086 0.862 4.162 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.628 0.561 6.484 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.282 -0.248 4.332 1.00 0.00 C ATOM 691 CZ PHE A 46 8.552 -0.399 5.494 1.00 0.00 C ATOM 0 H PHE A 46 12.939 4.659 4.671 1.00 0.00 H new ATOM 0 HA PHE A 46 12.108 2.911 6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.492 3.930 5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.286 3.147 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.486 2.418 7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.655 0.975 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.059 0.445 7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.224 -0.997 3.556 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.923 -1.266 5.629 1.00 0.00 H new ATOM 701 N THR A 47 13.083 0.707 6.224 1.00 0.00 N ATOM 702 CA THR A 47 13.794 -0.537 5.961 1.00 0.00 C ATOM 703 C THR A 47 13.009 -1.405 4.984 1.00 0.00 C ATOM 704 O THR A 47 12.035 -2.058 5.356 1.00 0.00 O ATOM 705 CB THR A 47 14.033 -1.301 7.266 1.00 0.00 C ATOM 706 OG1 THR A 47 15.382 -1.716 7.363 1.00 0.00 O ATOM 707 CG2 THR A 47 13.160 -2.531 7.408 1.00 0.00 C ATOM 0 H THR A 47 12.559 0.718 7.099 1.00 0.00 H new ATOM 0 HA THR A 47 14.758 -0.293 5.515 1.00 0.00 H new ATOM 0 HB THR A 47 13.778 -0.602 8.062 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.515 -2.201 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.380 -3.026 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.111 -2.237 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.361 -3.217 6.585 1.00 0.00 H new ATOM 715 N TYR A 48 13.437 -1.391 3.725 1.00 0.00 N ATOM 716 CA TYR A 48 12.777 -2.163 2.680 1.00 0.00 C ATOM 717 C TYR A 48 13.073 -3.653 2.811 1.00 0.00 C ATOM 718 O TYR A 48 14.064 -4.052 3.418 1.00 0.00 O ATOM 719 CB TYR A 48 13.221 -1.677 1.299 1.00 0.00 C ATOM 720 CG TYR A 48 14.266 -0.583 1.345 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.555 -0.846 1.789 1.00 0.00 C ATOM 722 CD2 TYR A 48 13.960 0.712 0.942 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.511 0.152 1.831 1.00 0.00 C ATOM 724 CE2 TYR A 48 14.911 1.714 0.983 1.00 0.00 C ATOM 725 CZ TYR A 48 16.185 1.429 1.426 1.00 0.00 C ATOM 726 OH TYR A 48 17.133 2.424 1.467 1.00 0.00 O ATOM 0 H TYR A 48 14.241 -0.851 3.404 1.00 0.00 H new ATOM 0 HA TYR A 48 11.703 -2.014 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.617 -2.522 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.350 -1.312 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.815 -1.845 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.964 0.938 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.509 -0.068 2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.657 2.716 0.669 1.00 0.00 H new ATOM 0 HH TYR A 48 16.741 3.263 1.147 1.00 0.00 H new ATOM 736 N THR A 49 12.209 -4.463 2.210 1.00 0.00 N ATOM 737 CA THR A 49 12.370 -5.909 2.224 1.00 0.00 C ATOM 738 C THR A 49 13.382 -6.317 1.166 1.00 0.00 C ATOM 739 O THR A 49 13.803 -5.496 0.358 1.00 0.00 O ATOM 740 CB THR A 49 11.030 -6.598 1.962 1.00 0.00 C ATOM 741 OG1 THR A 49 10.623 -6.408 0.618 1.00 0.00 O ATOM 742 CG2 THR A 49 9.916 -6.100 2.853 1.00 0.00 C ATOM 0 H THR A 49 11.385 -4.138 1.704 1.00 0.00 H new ATOM 0 HA THR A 49 12.729 -6.217 3.206 1.00 0.00 H new ATOM 0 HB THR A 49 11.201 -7.653 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.765 -6.857 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.994 -6.631 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.177 -6.278 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.772 -5.032 2.692 1.00 0.00 H new ATOM 750 N ASP A 50 13.778 -7.582 1.169 1.00 0.00 N ATOM 751 CA ASP A 50 14.746 -8.055 0.191 1.00 0.00 C ATOM 752 C ASP A 50 14.274 -7.727 -1.220 1.00 0.00 C ATOM 753 O ASP A 50 15.074 -7.400 -2.096 1.00 0.00 O ATOM 754 CB ASP A 50 14.962 -9.563 0.338 1.00 0.00 C ATOM 755 CG ASP A 50 15.381 -10.216 -0.963 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.557 -10.624 -1.070 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.534 -10.321 -1.877 1.00 0.00 O ATOM 0 H ASP A 50 13.450 -8.289 1.827 1.00 0.00 H new ATOM 0 HA ASP A 50 15.695 -7.549 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.724 -9.746 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.042 -10.026 0.694 1.00 0.00 H new ATOM 762 N ALA A 51 12.962 -7.803 -1.432 1.00 0.00 N ATOM 763 CA ALA A 51 12.378 -7.503 -2.734 1.00 0.00 C ATOM 764 C ALA A 51 12.458 -6.009 -3.042 1.00 0.00 C ATOM 765 O ALA A 51 12.825 -5.610 -4.149 1.00 0.00 O ATOM 766 CB ALA A 51 10.935 -7.978 -2.787 1.00 0.00 C ATOM 0 H ALA A 51 12.284 -8.070 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 51 12.952 -8.035 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.512 -7.747 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.900 -9.055 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.357 -7.473 -2.013 1.00 0.00 H new ATOM 772 N ASN A 52 12.110 -5.185 -2.055 1.00 0.00 N ATOM 773 CA ASN A 52 12.141 -3.736 -2.226 1.00 0.00 C ATOM 774 C ASN A 52 13.554 -3.261 -2.541 1.00 0.00 C ATOM 775 O ASN A 52 13.758 -2.443 -3.440 1.00 0.00 O ATOM 776 CB ASN A 52 11.628 -3.041 -0.963 1.00 0.00 C ATOM 777 CG ASN A 52 10.174 -3.367 -0.675 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.679 -3.122 0.427 1.00 0.00 O ATOM 779 ND2 ASN A 52 9.484 -3.921 -1.665 1.00 0.00 N ATOM 0 H ASN A 52 11.805 -5.496 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 52 11.492 -3.478 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.240 -3.340 -0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.741 -1.963 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.502 -4.162 -1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.936 -4.106 -2.561 1.00 0.00 H new ATOM 786 N LYS A 53 14.528 -3.786 -1.809 1.00 0.00 N ATOM 787 CA LYS A 53 15.923 -3.426 -2.021 1.00 0.00 C ATOM 788 C LYS A 53 16.340 -3.762 -3.446 1.00 0.00 C ATOM 789 O LYS A 53 17.183 -3.088 -4.036 1.00 0.00 O ATOM 790 CB LYS A 53 16.822 -4.160 -1.025 1.00 0.00 C ATOM 791 CG LYS A 53 16.531 -5.647 -0.923 1.00 0.00 C ATOM 792 CD LYS A 53 17.589 -6.367 -0.103 1.00 0.00 C ATOM 793 CE LYS A 53 17.233 -6.378 1.375 1.00 0.00 C ATOM 794 NZ LYS A 53 17.048 -7.762 1.893 1.00 0.00 N ATOM 0 H LYS A 53 14.377 -4.464 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 53 16.032 -2.353 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.863 -4.021 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.705 -3.707 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.552 -5.797 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.487 -6.080 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.694 -7.391 -0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.554 -5.880 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.020 -5.881 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.318 -5.807 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.076 -7.874 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.220 -8.445 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.719 -7.935 2.669 1.00 0.00 H new ATOM 808 N ASN A 54 15.732 -4.808 -3.998 1.00 0.00 N ATOM 809 CA ASN A 54 16.025 -5.235 -5.358 1.00 0.00 C ATOM 810 C ASN A 54 15.363 -4.298 -6.360 1.00 0.00 C ATOM 811 O ASN A 54 15.720 -4.273 -7.537 1.00 0.00 O ATOM 812 CB ASN A 54 15.544 -6.671 -5.584 1.00 0.00 C ATOM 813 CG ASN A 54 16.188 -7.652 -4.625 1.00 0.00 C ATOM 814 OD1 ASN A 54 15.953 -8.859 -4.706 1.00 0.00 O ATOM 815 ND2 ASN A 54 17.002 -7.139 -3.711 1.00 0.00 N ATOM 0 H ASN A 54 15.032 -5.376 -3.521 1.00 0.00 H new ATOM 0 HA ASN A 54 17.105 -5.202 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.461 -6.711 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.766 -6.969 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.463 -7.751 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.167 -6.133 -3.682 1.00 0.00 H new ATOM 822 N LYS A 55 14.395 -3.525 -5.876 1.00 0.00 N ATOM 823 CA LYS A 55 13.677 -2.580 -6.719 1.00 0.00 C ATOM 824 C LYS A 55 12.714 -3.302 -7.652 1.00 0.00 C ATOM 825 O LYS A 55 12.852 -3.241 -8.876 1.00 0.00 O ATOM 826 CB LYS A 55 14.661 -1.740 -7.535 1.00 0.00 C ATOM 827 CG LYS A 55 15.379 -0.679 -6.716 1.00 0.00 C ATOM 828 CD LYS A 55 16.856 -0.611 -7.067 1.00 0.00 C ATOM 829 CE LYS A 55 17.473 -1.998 -7.152 1.00 0.00 C ATOM 830 NZ LYS A 55 18.940 -1.970 -6.902 1.00 0.00 N ATOM 0 H LYS A 55 14.091 -3.536 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 55 13.099 -1.922 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.401 -2.400 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.124 -1.256 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.917 0.292 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.266 -0.899 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.981 -0.097 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.383 -0.023 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.993 -2.654 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.281 -2.421 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.322 -2.935 -6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.401 -1.365 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.123 -1.591 -5.951 1.00 0.00 H new ATOM 844 N GLY A 56 11.732 -3.983 -7.069 1.00 0.00 N ATOM 845 CA GLY A 56 10.757 -4.699 -7.864 1.00 0.00 C ATOM 846 C GLY A 56 10.099 -3.809 -8.895 1.00 0.00 C ATOM 847 O GLY A 56 10.719 -3.448 -9.894 1.00 0.00 O ATOM 0 H GLY A 56 11.596 -4.050 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.243 -5.536 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.994 -5.119 -7.209 1.00 0.00 H new ATOM 851 N ILE A 57 8.849 -3.438 -8.650 1.00 0.00 N ATOM 852 CA ILE A 57 8.132 -2.568 -9.568 1.00 0.00 C ATOM 853 C ILE A 57 7.056 -1.654 -8.956 1.00 0.00 C ATOM 854 O ILE A 57 6.695 -1.930 -7.745 1.00 0.00 O ATOM 855 CB ILE A 57 7.399 -3.363 -10.654 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.726 -2.773 -12.013 1.00 0.00 C ATOM 857 CG2 ILE A 57 5.901 -3.358 -10.416 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.008 -1.294 -11.955 1.00 0.00 C ATOM 0 H ILE A 57 8.315 -3.724 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 57 8.944 -1.948 -9.948 1.00 0.00 H new ATOM 0 HB ILE A 57 7.733 -4.400 -10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.593 -3.287 -12.428 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.893 -2.953 -12.692 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.406 -3.929 -11.201 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.685 -3.809 -9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.534 -2.332 -10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.236 -0.927 -12.956 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.133 -0.772 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.860 -1.111 -11.300 1.00 0.00 H new ATOM 870 N THR A 58 6.613 -0.681 -9.569 1.00 0.00 N ATOM 871 CA THR A 58 5.666 0.266 -9.004 1.00 0.00 C ATOM 872 C THR A 58 4.270 -0.335 -8.949 1.00 0.00 C ATOM 873 O THR A 58 3.655 -0.619 -9.977 1.00 0.00 O ATOM 874 CB THR A 58 5.648 1.550 -9.833 1.00 0.00 C ATOM 875 OG1 THR A 58 5.835 2.686 -9.021 1.00 0.00 O ATOM 876 CG2 THR A 58 4.325 1.798 -10.525 1.00 0.00 C ATOM 0 H THR A 58 6.880 -0.464 -10.529 1.00 0.00 H new ATOM 0 HA THR A 58 5.982 0.501 -7.988 1.00 0.00 H new ATOM 0 HB THR A 58 6.449 1.407 -10.559 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.710 2.635 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.381 2.725 -11.096 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.106 0.970 -11.199 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.534 1.878 -9.780 1.00 0.00 H new ATOM 884 N TRP A 59 3.782 -0.523 -7.734 1.00 0.00 N ATOM 885 CA TRP A 59 2.458 -1.089 -7.509 1.00 0.00 C ATOM 886 C TRP A 59 1.369 -0.142 -8.002 1.00 0.00 C ATOM 887 O TRP A 59 1.122 0.904 -7.403 1.00 0.00 O ATOM 888 CB TRP A 59 2.271 -1.390 -6.024 1.00 0.00 C ATOM 889 CG TRP A 59 3.570 -1.534 -5.293 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.370 -0.526 -4.834 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.229 -2.757 -4.945 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.485 -1.047 -4.227 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.421 -2.416 -4.280 1.00 0.00 C ATOM 894 CE3 TRP A 59 3.926 -4.111 -5.132 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.309 -3.377 -3.803 1.00 0.00 C ATOM 896 CZ3 TRP A 59 4.808 -5.062 -4.658 1.00 0.00 C ATOM 897 CH2 TRP A 59 5.988 -4.691 -4.000 1.00 0.00 C ATOM 0 H TRP A 59 4.287 -0.290 -6.879 1.00 0.00 H new ATOM 0 HA TRP A 59 2.376 -2.017 -8.075 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.689 -0.590 -5.566 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.694 -2.308 -5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.156 0.528 -4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.239 -0.504 -3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.019 -4.406 -5.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.219 -3.094 -3.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.584 -6.109 -4.797 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.658 -5.459 -3.641 1.00 0.00 H new ATOM 908 N LYS A 60 0.723 -0.523 -9.097 1.00 0.00 N ATOM 909 CA LYS A 60 -0.344 0.283 -9.683 1.00 0.00 C ATOM 910 C LYS A 60 -1.708 -0.303 -9.338 1.00 0.00 C ATOM 911 O LYS A 60 -1.798 -1.397 -8.783 1.00 0.00 O ATOM 912 CB LYS A 60 -0.173 0.369 -11.202 1.00 0.00 C ATOM 913 CG LYS A 60 -1.397 -0.079 -11.985 1.00 0.00 C ATOM 914 CD LYS A 60 -2.252 1.104 -12.405 1.00 0.00 C ATOM 915 CE LYS A 60 -2.718 0.971 -13.847 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.264 2.115 -14.686 1.00 0.00 N ATOM 0 H LYS A 60 0.919 -1.388 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.284 1.289 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.064 1.398 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.679 -0.243 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.082 -0.634 -12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.991 -0.760 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.118 1.180 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.682 2.026 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.338 0.040 -14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.806 0.911 -13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.602 1.986 -15.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.647 3.002 -14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.225 2.157 -14.683 1.00 0.00 H new ATOM 930 N GLU A 61 -2.767 0.429 -9.663 1.00 0.00 N ATOM 931 CA GLU A 61 -4.123 -0.024 -9.382 1.00 0.00 C ATOM 932 C GLU A 61 -4.430 -1.329 -10.117 1.00 0.00 C ATOM 933 O GLU A 61 -4.796 -2.329 -9.500 1.00 0.00 O ATOM 934 CB GLU A 61 -5.135 1.049 -9.783 1.00 0.00 C ATOM 935 CG GLU A 61 -6.165 1.346 -8.705 1.00 0.00 C ATOM 936 CD GLU A 61 -7.581 1.037 -9.151 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.497 1.811 -8.803 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.775 0.019 -9.850 1.00 0.00 O ATOM 0 H GLU A 61 -2.712 1.339 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.201 -0.206 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.601 1.967 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.651 0.730 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.933 0.762 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.098 2.397 -8.423 1.00 0.00 H new ATOM 945 N GLU A 62 -4.282 -1.309 -11.439 1.00 0.00 N ATOM 946 CA GLU A 62 -4.548 -2.485 -12.261 1.00 0.00 C ATOM 947 C GLU A 62 -3.600 -3.634 -11.920 1.00 0.00 C ATOM 948 O GLU A 62 -4.017 -4.786 -11.815 1.00 0.00 O ATOM 949 CB GLU A 62 -4.423 -2.132 -13.745 1.00 0.00 C ATOM 950 CG GLU A 62 -3.012 -2.290 -14.290 1.00 0.00 C ATOM 951 CD GLU A 62 -2.887 -1.824 -15.727 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.927 -1.727 -16.412 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.750 -1.554 -16.168 1.00 0.00 O ATOM 0 H GLU A 62 -3.979 -0.489 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.566 -2.813 -12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.099 -2.766 -14.319 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.748 -1.102 -13.894 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.320 -1.724 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.716 -3.337 -14.224 1.00 0.00 H new ATOM 960 N THR A 63 -2.322 -3.310 -11.752 1.00 0.00 N ATOM 961 CA THR A 63 -1.316 -4.316 -11.428 1.00 0.00 C ATOM 962 C THR A 63 -1.603 -4.943 -10.069 1.00 0.00 C ATOM 963 O THR A 63 -1.263 -6.100 -9.822 1.00 0.00 O ATOM 964 CB THR A 63 0.081 -3.691 -11.431 1.00 0.00 C ATOM 965 OG1 THR A 63 0.925 -4.356 -12.354 1.00 0.00 O ATOM 966 CG2 THR A 63 0.756 -3.730 -10.077 1.00 0.00 C ATOM 0 H THR A 63 -1.959 -2.361 -11.835 1.00 0.00 H new ATOM 0 HA THR A 63 -1.356 -5.097 -12.188 1.00 0.00 H new ATOM 0 HB THR A 63 -0.068 -2.649 -11.714 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.813 -3.941 -12.343 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.742 -3.271 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.152 -3.182 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.860 -4.765 -9.752 1.00 0.00 H new ATOM 974 N LEU A 64 -2.236 -4.168 -9.196 1.00 0.00 N ATOM 975 CA LEU A 64 -2.580 -4.639 -7.862 1.00 0.00 C ATOM 976 C LEU A 64 -3.718 -5.650 -7.932 1.00 0.00 C ATOM 977 O LEU A 64 -3.764 -6.604 -7.157 1.00 0.00 O ATOM 978 CB LEU A 64 -2.979 -3.460 -6.974 1.00 0.00 C ATOM 979 CG LEU A 64 -1.926 -3.034 -5.949 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.442 -1.877 -5.107 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.539 -4.208 -5.062 1.00 0.00 C ATOM 0 H LEU A 64 -2.522 -3.208 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.706 -5.127 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.209 -2.606 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.896 -3.718 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.037 -2.701 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.681 -1.586 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.670 -1.030 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.345 -2.185 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.789 -3.886 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.421 -4.571 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.130 -5.009 -5.677 1.00 0.00 H new ATOM 993 N MET A 65 -4.631 -5.433 -8.875 1.00 0.00 N ATOM 994 CA MET A 65 -5.768 -6.328 -9.050 1.00 0.00 C ATOM 995 C MET A 65 -5.290 -7.739 -9.370 1.00 0.00 C ATOM 996 O MET A 65 -5.805 -8.719 -8.832 1.00 0.00 O ATOM 997 CB MET A 65 -6.680 -5.820 -10.167 1.00 0.00 C ATOM 998 CG MET A 65 -7.477 -4.582 -9.787 1.00 0.00 C ATOM 999 SD MET A 65 -8.332 -4.766 -8.211 1.00 0.00 S ATOM 1000 CE MET A 65 -7.067 -4.210 -7.070 1.00 0.00 C ATOM 0 H MET A 65 -4.605 -4.648 -9.526 1.00 0.00 H new ATOM 0 HA MET A 65 -6.333 -6.351 -8.118 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.075 -5.597 -11.045 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.371 -6.614 -10.450 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.806 -3.724 -9.734 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.206 -4.369 -10.569 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.536 -3.843 -6.157 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.404 -5.041 -6.829 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.490 -3.407 -7.529 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.294 -7.834 -10.245 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.734 -9.122 -10.631 1.00 0.00 C ATOM 1012 C GLU A 66 -2.798 -9.640 -9.544 1.00 0.00 C ATOM 1013 O GLU A 66 -2.745 -10.840 -9.272 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.982 -9.002 -11.957 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.143 -7.740 -12.068 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.325 -7.696 -13.345 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.562 -8.652 -13.594 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.447 -6.703 -14.092 1.00 0.00 O ATOM 0 H GLU A 66 -3.858 -7.032 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.553 -9.830 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.335 -9.871 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.701 -9.024 -12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.797 -6.869 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.474 -7.676 -11.210 1.00 0.00 H new ATOM 1025 N TYR A 67 -2.063 -8.722 -8.926 1.00 0.00 N ATOM 1026 CA TYR A 67 -1.128 -9.073 -7.864 1.00 0.00 C ATOM 1027 C TYR A 67 -1.859 -9.694 -6.679 1.00 0.00 C ATOM 1028 O TYR A 67 -1.271 -10.430 -5.887 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.362 -7.830 -7.408 1.00 0.00 C ATOM 1030 CG TYR A 67 0.007 -7.850 -5.940 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.249 -8.310 -5.522 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.888 -7.407 -4.975 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.589 -8.328 -4.183 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.556 -7.421 -3.634 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.681 -7.883 -3.242 1.00 0.00 C ATOM 1036 OH TYR A 67 1.016 -7.899 -1.908 1.00 0.00 O ATOM 0 H TYR A 67 -2.097 -7.726 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.424 -9.806 -8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.547 -7.736 -8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.967 -6.946 -7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.961 -8.659 -6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.860 -7.046 -5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.559 -8.688 -3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.263 -7.071 -2.896 1.00 0.00 H new ATOM 0 HH TYR A 67 0.268 -7.553 -1.379 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.149 -9.390 -6.566 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.966 -9.917 -5.479 1.00 0.00 C ATOM 1048 C LEU A 68 -4.035 -11.439 -5.540 1.00 0.00 C ATOM 1049 O LEU A 68 -4.410 -12.092 -4.566 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.376 -9.327 -5.541 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.510 -7.908 -4.984 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.889 -7.343 -5.292 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.248 -7.898 -3.485 1.00 0.00 C ATOM 0 H LEU A 68 -3.650 -8.782 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.501 -9.630 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.708 -9.326 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.052 -9.982 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.765 -7.275 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.967 -6.333 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.038 -7.315 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.651 -7.975 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.347 -6.881 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.970 -8.544 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.239 -8.261 -3.290 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.669 -11.996 -6.689 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.688 -13.443 -6.877 1.00 0.00 C ATOM 1067 C GLU A 69 -2.747 -14.130 -5.894 1.00 0.00 C ATOM 1068 O GLU A 69 -3.181 -14.665 -4.873 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.293 -13.794 -8.313 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.192 -14.841 -8.949 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.806 -15.145 -10.384 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.756 -14.640 -10.836 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.553 -15.889 -11.056 1.00 0.00 O ATOM 0 H GLU A 69 -3.356 -11.469 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.701 -13.798 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.317 -12.889 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.265 -14.156 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.147 -15.758 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.225 -14.494 -8.920 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.456 -14.111 -6.207 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.453 -14.732 -5.352 1.00 0.00 C ATOM 1082 C ASN A 70 0.534 -13.694 -4.828 1.00 0.00 C ATOM 1083 O ASN A 70 1.541 -13.397 -5.471 1.00 0.00 O ATOM 1084 CB ASN A 70 0.295 -15.825 -6.120 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.444 -17.146 -6.118 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.424 -17.883 -5.132 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.109 -17.453 -7.227 1.00 0.00 N ATOM 0 H ASN A 70 -1.080 -13.672 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.964 -15.181 -4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.449 -15.500 -7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.282 -15.964 -5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.629 -18.328 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.099 -16.813 -8.021 1.00 0.00 H new ATOM 1094 N PRO A 71 0.251 -13.128 -3.645 1.00 0.00 N ATOM 1095 CA PRO A 71 1.113 -12.115 -3.025 1.00 0.00 C ATOM 1096 C PRO A 71 2.569 -12.560 -2.955 1.00 0.00 C ATOM 1097 O PRO A 71 3.484 -11.742 -3.036 1.00 0.00 O ATOM 1098 CB PRO A 71 0.528 -11.967 -1.621 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.900 -12.368 -1.760 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.930 -13.432 -2.821 1.00 0.00 C ATOM 0 HA PRO A 71 1.129 -11.186 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.050 -12.603 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.618 -10.942 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.293 -12.747 -0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.519 -11.517 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.872 -14.431 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.849 -13.390 -3.406 1.00 0.00 H new ATOM 1108 N LYS A 72 2.778 -13.863 -2.803 1.00 0.00 N ATOM 1109 CA LYS A 72 4.122 -14.419 -2.722 1.00 0.00 C ATOM 1110 C LYS A 72 4.741 -14.549 -4.109 1.00 0.00 C ATOM 1111 O LYS A 72 5.964 -14.575 -4.255 1.00 0.00 O ATOM 1112 CB LYS A 72 4.093 -15.786 -2.033 1.00 0.00 C ATOM 1113 CG LYS A 72 4.559 -16.926 -2.923 1.00 0.00 C ATOM 1114 CD LYS A 72 6.067 -17.103 -2.859 1.00 0.00 C ATOM 1115 CE LYS A 72 6.715 -16.856 -4.213 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.550 -18.010 -4.647 1.00 0.00 N ATOM 0 H LYS A 72 2.032 -14.555 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 72 4.734 -13.737 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.723 -15.749 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.077 -15.992 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.070 -17.851 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.258 -16.732 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.484 -16.415 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.302 -18.112 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.941 -16.668 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.333 -15.960 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.974 -17.803 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.304 -18.174 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.956 -18.860 -4.721 1.00 0.00 H new ATOM 1130 N LYS A 73 3.889 -14.632 -5.126 1.00 0.00 N ATOM 1131 CA LYS A 73 4.351 -14.759 -6.502 1.00 0.00 C ATOM 1132 C LYS A 73 5.000 -13.464 -6.980 1.00 0.00 C ATOM 1133 O LYS A 73 5.908 -13.483 -7.812 1.00 0.00 O ATOM 1134 CB LYS A 73 3.185 -15.126 -7.422 1.00 0.00 C ATOM 1135 CG LYS A 73 2.412 -13.924 -7.936 1.00 0.00 C ATOM 1136 CD LYS A 73 2.901 -13.492 -9.307 1.00 0.00 C ATOM 1137 CE LYS A 73 3.161 -14.686 -10.211 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.033 -15.658 -10.181 1.00 0.00 N ATOM 0 H LYS A 73 2.874 -14.613 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 73 5.097 -15.553 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.568 -15.691 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.502 -15.783 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.351 -14.168 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.516 -13.096 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.160 -12.840 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.816 -12.910 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.317 -14.341 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.079 -15.185 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.895 -16.059 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.252 -16.423 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.164 -15.172 -9.880 1.00 0.00 H new ATOM 1152 N TYR A 74 4.531 -12.340 -6.447 1.00 0.00 N ATOM 1153 CA TYR A 74 5.068 -11.036 -6.820 1.00 0.00 C ATOM 1154 C TYR A 74 6.350 -10.735 -6.050 1.00 0.00 C ATOM 1155 O TYR A 74 7.330 -10.259 -6.623 1.00 0.00 O ATOM 1156 CB TYR A 74 4.032 -9.941 -6.560 1.00 0.00 C ATOM 1157 CG TYR A 74 3.203 -9.591 -7.777 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.216 -10.452 -8.240 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.409 -8.399 -8.460 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.458 -10.135 -9.351 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.655 -8.075 -9.572 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.681 -8.946 -10.013 1.00 0.00 C ATOM 1163 OH TYR A 74 0.929 -8.626 -11.119 1.00 0.00 O ATOM 0 H TYR A 74 3.781 -12.306 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 74 5.302 -11.058 -7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.368 -10.264 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.543 -9.045 -6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.038 -11.384 -7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.171 -7.715 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.695 -10.815 -9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.828 -7.145 -10.093 1.00 0.00 H new ATOM 0 HH TYR A 74 1.212 -7.754 -11.466 1.00 0.00 H new ATOM 1173 N ILE A 75 6.339 -11.020 -4.751 1.00 0.00 N ATOM 1174 CA ILE A 75 7.502 -10.782 -3.908 1.00 0.00 C ATOM 1175 C ILE A 75 7.794 -11.991 -3.027 1.00 0.00 C ATOM 1176 O ILE A 75 7.458 -12.007 -1.843 1.00 0.00 O ATOM 1177 CB ILE A 75 7.304 -9.545 -3.011 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.351 -8.266 -3.850 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.363 -9.507 -1.919 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.399 -8.298 -4.940 1.00 0.00 C ATOM 0 H ILE A 75 5.537 -11.416 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 75 8.346 -10.606 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 75 6.324 -9.611 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.373 -8.101 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.546 -7.418 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.210 -8.627 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.286 -10.405 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.353 -9.461 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.376 -7.360 -5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.384 -8.432 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.193 -9.126 -5.619 1.00 0.00 H new ATOM 1192 N PRO A 76 8.427 -13.024 -3.601 1.00 0.00 N ATOM 1193 CA PRO A 76 8.768 -14.253 -2.875 1.00 0.00 C ATOM 1194 C PRO A 76 9.658 -13.978 -1.667 1.00 0.00 C ATOM 1195 O PRO A 76 10.633 -13.231 -1.758 1.00 0.00 O ATOM 1196 CB PRO A 76 9.521 -15.091 -3.913 1.00 0.00 C ATOM 1197 CG PRO A 76 9.103 -14.541 -5.233 1.00 0.00 C ATOM 1198 CD PRO A 76 8.854 -13.078 -5.008 1.00 0.00 C ATOM 0 HA PRO A 76 7.883 -14.748 -2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.600 -15.012 -3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.266 -16.147 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.878 -14.694 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.204 -15.039 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.753 -12.485 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.085 -12.692 -5.678 1.00 0.00 H new ATOM 1206 N GLY A 77 9.322 -14.592 -0.538 1.00 0.00 N ATOM 1207 CA GLY A 77 10.103 -14.406 0.670 1.00 0.00 C ATOM 1208 C GLY A 77 9.407 -13.519 1.684 1.00 0.00 C ATOM 1209 O GLY A 77 9.764 -13.518 2.862 1.00 0.00 O ATOM 0 H GLY A 77 8.521 -15.216 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.305 -15.378 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.067 -13.968 0.411 1.00 0.00 H new ATOM 1213 N THR A 78 8.412 -12.764 1.229 1.00 0.00 N ATOM 1214 CA THR A 78 7.671 -11.872 2.114 1.00 0.00 C ATOM 1215 C THR A 78 6.339 -12.492 2.524 1.00 0.00 C ATOM 1216 O THR A 78 5.552 -12.918 1.678 1.00 0.00 O ATOM 1217 CB THR A 78 7.429 -10.527 1.428 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.739 -9.457 2.304 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.000 -10.340 0.963 1.00 0.00 C ATOM 0 H THR A 78 8.101 -12.752 0.258 1.00 0.00 H new ATOM 0 HA THR A 78 8.269 -11.714 3.012 1.00 0.00 H new ATOM 0 HB THR A 78 8.081 -10.526 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.580 -8.604 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.897 -9.366 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.744 -11.123 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.328 -10.397 1.820 1.00 0.00 H new ATOM 1227 N LYS A 79 6.092 -12.535 3.829 1.00 0.00 N ATOM 1228 CA LYS A 79 4.854 -13.098 4.358 1.00 0.00 C ATOM 1229 C LYS A 79 3.935 -11.998 4.879 1.00 0.00 C ATOM 1230 O LYS A 79 4.390 -11.041 5.504 1.00 0.00 O ATOM 1231 CB LYS A 79 5.161 -14.097 5.475 1.00 0.00 C ATOM 1232 CG LYS A 79 4.077 -15.143 5.668 1.00 0.00 C ATOM 1233 CD LYS A 79 3.455 -15.553 4.343 1.00 0.00 C ATOM 1234 CE LYS A 79 4.514 -15.983 3.341 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.409 -17.037 3.895 1.00 0.00 N ATOM 0 H LYS A 79 6.734 -12.186 4.541 1.00 0.00 H new ATOM 0 HA LYS A 79 4.343 -13.617 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.103 -14.598 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.301 -13.553 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.499 -16.020 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.304 -14.749 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.754 -16.371 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.883 -14.720 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.030 -16.356 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.110 -15.118 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.788 -17.614 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.195 -16.590 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.870 -17.643 4.546 1.00 0.00 H new ATOM 1249 N MET A 80 2.638 -12.143 4.622 1.00 0.00 N ATOM 1250 CA MET A 80 1.659 -11.160 5.072 1.00 0.00 C ATOM 1251 C MET A 80 0.870 -11.688 6.265 1.00 0.00 C ATOM 1252 O MET A 80 0.081 -12.624 6.135 1.00 0.00 O ATOM 1253 CB MET A 80 0.704 -10.802 3.930 1.00 0.00 C ATOM 1254 CG MET A 80 1.240 -9.724 3.004 1.00 0.00 C ATOM 1255 SD MET A 80 1.071 -8.067 3.695 1.00 0.00 S ATOM 1256 CE MET A 80 -0.324 -7.450 2.761 1.00 0.00 C ATOM 0 H MET A 80 2.242 -12.929 4.106 1.00 0.00 H new ATOM 0 HA MET A 80 2.195 -10.263 5.382 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.496 -11.699 3.347 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.244 -10.468 4.352 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.291 -9.920 2.794 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.711 -9.772 2.052 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.551 -6.431 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.082 -7.456 1.698 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.191 -8.086 2.939 1.00 0.00 H new ATOM 1266 N ILE A 81 1.088 -11.082 7.427 1.00 0.00 N ATOM 1267 CA ILE A 81 0.400 -11.488 8.646 1.00 0.00 C ATOM 1268 C ILE A 81 -0.653 -10.464 9.056 1.00 0.00 C ATOM 1269 O ILE A 81 -0.372 -9.268 9.134 1.00 0.00 O ATOM 1270 CB ILE A 81 1.388 -11.683 9.813 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.509 -12.642 9.404 1.00 0.00 C ATOM 1272 CG2 ILE A 81 0.660 -12.202 11.043 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.566 -12.000 8.532 1.00 0.00 C ATOM 0 H ILE A 81 1.738 -10.306 7.550 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.087 -12.438 8.427 1.00 0.00 H new ATOM 0 HB ILE A 81 1.832 -10.719 10.060 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.982 -13.039 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.076 -13.489 8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.372 -12.334 11.858 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.105 -11.486 11.342 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.191 -13.158 10.812 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.328 -12.738 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.106 -11.628 7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.027 -11.171 9.069 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.865 -10.941 9.323 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.957 -10.064 9.731 1.00 0.00 C ATOM 1287 C PHE A 82 -3.873 -9.741 8.557 1.00 0.00 C ATOM 1288 O PHE A 82 -3.592 -10.113 7.416 1.00 0.00 O ATOM 1289 CB PHE A 82 -2.403 -8.768 10.328 1.00 0.00 C ATOM 1290 CG PHE A 82 -3.271 -8.184 11.406 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -3.971 -7.008 11.187 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.385 -8.811 12.635 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -4.770 -6.468 12.177 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.184 -8.274 13.629 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.877 -7.103 13.399 1.00 0.00 C ATOM 0 H PHE A 82 -2.115 -11.928 9.264 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.541 -10.588 10.488 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.411 -8.961 10.736 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.283 -8.033 9.532 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.891 -6.508 10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.845 -9.728 12.820 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.310 -5.551 11.995 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.265 -8.771 14.584 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.502 -6.684 14.173 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.970 -9.049 8.845 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.935 -8.670 7.819 1.00 0.00 C ATOM 1307 C ALA A 83 -7.361 -8.781 8.341 1.00 0.00 C ATOM 1308 O ALA A 83 -8.027 -9.799 8.151 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.758 -9.538 6.581 1.00 0.00 C ATOM 0 H ALA A 83 -5.214 -8.738 9.785 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.752 -7.630 7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.485 -9.244 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.750 -9.408 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.912 -10.584 6.845 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.825 -7.728 9.003 1.00 0.00 N ATOM 1316 CA GLY A 84 -9.170 -7.726 9.546 1.00 0.00 C ATOM 1317 C GLY A 84 -10.224 -7.461 8.489 1.00 0.00 C ATOM 1318 O GLY A 84 -11.258 -6.858 8.772 1.00 0.00 O ATOM 0 H GLY A 84 -7.293 -6.875 9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.369 -8.688 10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.243 -6.967 10.325 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.962 -7.913 7.269 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.895 -7.723 6.166 1.00 0.00 C ATOM 1324 C ILE A 85 -11.119 -9.024 5.404 1.00 0.00 C ATOM 1325 O ILE A 85 -10.171 -9.651 4.935 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.396 -6.645 5.184 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.279 -5.293 5.890 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -11.329 -6.545 3.987 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.602 -4.760 6.397 1.00 0.00 C ATOM 0 H ILE A 85 -9.110 -8.414 7.018 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.837 -7.395 6.604 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.407 -6.932 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.589 -5.389 6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.845 -4.569 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.963 -5.779 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.364 -7.505 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.330 -6.279 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.444 -3.799 6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.288 -4.632 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.029 -5.465 7.111 1.00 0.00 H new ATOM 1341 N LYS A 86 -12.381 -9.421 5.285 1.00 0.00 N ATOM 1342 CA LYS A 86 -12.734 -10.647 4.578 1.00 0.00 C ATOM 1343 C LYS A 86 -13.720 -10.359 3.454 1.00 0.00 C ATOM 1344 O LYS A 86 -14.743 -11.032 3.324 1.00 0.00 O ATOM 1345 CB LYS A 86 -13.328 -11.667 5.549 1.00 0.00 C ATOM 1346 CG LYS A 86 -14.380 -11.083 6.478 1.00 0.00 C ATOM 1347 CD LYS A 86 -15.177 -12.173 7.172 1.00 0.00 C ATOM 1348 CE LYS A 86 -16.501 -11.644 7.700 1.00 0.00 C ATOM 1349 NZ LYS A 86 -17.659 -12.411 7.166 1.00 0.00 N ATOM 0 H LYS A 86 -13.177 -8.912 5.669 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.825 -11.062 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.772 -12.483 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.525 -12.096 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.898 -10.452 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.055 -10.444 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.362 -12.990 6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.593 -12.584 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.504 -11.694 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.606 -10.593 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.542 -12.019 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.672 -12.342 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.573 -13.409 7.446 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.404 -9.355 2.648 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.262 -8.973 1.536 1.00 0.00 C ATOM 1365 C LYS A 87 -13.478 -8.186 0.489 1.00 0.00 C ATOM 1366 O LYS A 87 -12.973 -7.098 0.767 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.439 -8.143 2.042 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.622 -8.983 2.500 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.633 -8.149 3.270 1.00 0.00 C ATOM 1370 CE LYS A 87 -19.015 -8.781 3.242 1.00 0.00 C ATOM 1371 NZ LYS A 87 -20.072 -7.826 3.673 1.00 0.00 N ATOM 0 H LYS A 87 -12.560 -8.791 2.744 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.641 -9.882 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.104 -7.519 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.766 -7.470 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.106 -9.435 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.268 -9.800 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.303 -8.039 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.681 -7.148 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.233 -9.132 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.028 -9.655 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.999 -8.296 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.879 -7.510 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.078 -7.004 3.036 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.381 -8.743 -0.713 1.00 0.00 N ATOM 1386 CA LYS A 88 -12.659 -8.092 -1.799 1.00 0.00 C ATOM 1387 C LYS A 88 -13.105 -6.644 -1.961 1.00 0.00 C ATOM 1388 O LYS A 88 -12.293 -5.760 -2.236 1.00 0.00 O ATOM 1389 CB LYS A 88 -12.874 -8.854 -3.109 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.708 -8.090 -4.126 1.00 0.00 C ATOM 1391 CD LYS A 88 -15.195 -8.232 -3.846 1.00 0.00 C ATOM 1392 CE LYS A 88 -16.009 -8.210 -5.130 1.00 0.00 C ATOM 1393 NZ LYS A 88 -17.451 -8.486 -4.880 1.00 0.00 N ATOM 0 H LYS A 88 -13.793 -9.643 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.598 -8.099 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -11.904 -9.087 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.362 -9.804 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.432 -7.036 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.489 -8.458 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.378 -9.165 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.522 -7.423 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.904 -7.237 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.613 -8.952 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.970 -8.462 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.554 -9.425 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.837 -7.764 -4.239 1.00 0.00 H new ATOM 1407 N THR A 89 -14.401 -6.404 -1.787 1.00 0.00 N ATOM 1408 CA THR A 89 -14.953 -5.062 -1.915 1.00 0.00 C ATOM 1409 C THR A 89 -14.376 -4.130 -0.852 1.00 0.00 C ATOM 1410 O THR A 89 -14.335 -2.914 -1.037 1.00 0.00 O ATOM 1411 CB THR A 89 -16.478 -5.102 -1.798 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.060 -3.971 -2.421 1.00 0.00 O ATOM 1413 CG2 THR A 89 -16.968 -5.140 -0.367 1.00 0.00 C ATOM 0 H THR A 89 -15.088 -7.122 -1.557 1.00 0.00 H new ATOM 0 HA THR A 89 -14.679 -4.677 -2.897 1.00 0.00 H new ATOM 0 HB THR A 89 -16.780 -6.025 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.035 -4.017 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.058 -5.167 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 89 -16.578 -6.029 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 89 -16.622 -4.251 0.160 1.00 0.00 H new ATOM 1421 N GLU A 90 -13.928 -4.711 0.256 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.347 -3.935 1.344 1.00 0.00 C ATOM 1423 C GLU A 90 -11.950 -3.460 0.970 1.00 0.00 C ATOM 1424 O GLU A 90 -11.607 -2.291 1.146 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.291 -4.771 2.623 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.651 -5.268 3.086 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.421 -4.220 3.866 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.157 -3.433 3.237 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.285 -4.186 5.108 1.00 0.00 O ATOM 0 H GLU A 90 -13.956 -5.717 0.424 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.978 -3.064 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.637 -5.628 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.842 -4.175 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.237 -5.573 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.518 -6.153 3.708 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.153 -4.382 0.444 1.00 0.00 N ATOM 1437 CA ARG A 91 -9.791 -4.078 0.032 1.00 0.00 C ATOM 1438 C ARG A 91 -9.781 -3.120 -1.155 1.00 0.00 C ATOM 1439 O ARG A 91 -9.021 -2.151 -1.177 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.059 -5.364 -0.333 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.656 -6.270 0.816 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.299 -6.908 0.565 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.330 -8.355 0.767 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.538 -9.204 0.124 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.657 -8.752 -0.759 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.625 -10.505 0.362 1.00 0.00 N ATOM 0 H ARG A 91 -11.430 -5.352 0.293 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.281 -3.596 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.693 -5.936 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.159 -5.097 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.625 -5.695 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.407 -7.048 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.979 -6.691 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.560 -6.464 1.233 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.997 -8.733 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.588 -7.751 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.049 -9.405 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.301 -10.855 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.015 -11.156 -0.133 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.630 -3.395 -2.141 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.717 -2.555 -3.330 1.00 0.00 C ATOM 1462 C GLU A 92 -11.035 -1.112 -2.956 1.00 0.00 C ATOM 1463 O GLU A 92 -10.518 -0.175 -3.566 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.785 -3.092 -4.285 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.650 -4.578 -4.579 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.319 -5.143 -4.123 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.295 -4.442 -4.269 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.300 -6.286 -3.618 1.00 0.00 O ATOM 0 H GLU A 92 -11.266 -4.192 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.748 -2.578 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.770 -2.903 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.733 -2.539 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.458 -5.117 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.764 -4.745 -5.650 1.00 0.00 H new ATOM 1475 N ASP A 93 -11.887 -0.938 -1.951 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.270 0.395 -1.497 1.00 0.00 C ATOM 1477 C ASP A 93 -11.044 1.189 -1.057 1.00 0.00 C ATOM 1478 O ASP A 93 -10.871 2.346 -1.438 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.272 0.298 -0.347 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.417 1.281 -0.490 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -15.337 1.246 0.352 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -14.390 2.085 -1.445 1.00 0.00 O ATOM 0 H ASP A 93 -12.325 -1.702 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.739 0.917 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.671 -0.715 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.757 0.480 0.596 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.196 0.556 -0.254 1.00 0.00 N ATOM 1488 CA GLY A 94 -8.995 1.215 0.219 1.00 0.00 C ATOM 1489 C GLY A 94 -8.112 1.688 -0.918 1.00 0.00 C ATOM 1490 O GLY A 94 -7.455 2.724 -0.817 1.00 0.00 O ATOM 0 H GLY A 94 -10.319 -0.401 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.272 2.067 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.432 0.529 0.852 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.102 0.926 -2.007 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.299 1.267 -3.173 1.00 0.00 C ATOM 1496 C ILE A 95 -7.693 2.631 -3.730 1.00 0.00 C ATOM 1497 O ILE A 95 -6.836 3.457 -4.040 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.440 0.213 -4.284 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -7.219 -1.190 -3.716 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -6.463 0.498 -5.412 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.259 -2.027 -4.533 1.00 0.00 C ATOM 0 H ILE A 95 -8.643 0.067 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.261 1.296 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.451 0.264 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.839 -1.106 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.178 -1.705 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.575 -0.257 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.668 1.484 -5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.444 0.472 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.150 -3.009 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.647 -2.142 -5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.288 -1.534 -4.571 1.00 0.00 H new ATOM 1513 N ALA A 96 -8.998 2.861 -3.850 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.501 4.126 -4.367 1.00 0.00 C ATOM 1515 C ALA A 96 -8.982 5.292 -3.534 1.00 0.00 C ATOM 1516 O ALA A 96 -8.582 6.326 -4.071 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.023 4.123 -4.384 1.00 0.00 C ATOM 0 H ALA A 96 -9.722 2.189 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.141 4.247 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.384 5.075 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.378 3.313 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.398 3.979 -3.371 1.00 0.00 H new ATOM 1523 N TYR A 97 -8.979 5.113 -2.217 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.499 6.144 -1.307 1.00 0.00 C ATOM 1525 C TYR A 97 -7.002 6.365 -1.496 1.00 0.00 C ATOM 1526 O TYR A 97 -6.516 7.494 -1.429 1.00 0.00 O ATOM 1527 CB TYR A 97 -8.793 5.753 0.144 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.112 6.642 1.159 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -8.849 7.494 1.972 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -6.731 6.630 1.307 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -8.230 8.307 2.904 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -6.104 7.440 2.233 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.858 8.276 3.029 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.236 9.085 3.954 1.00 0.00 O ATOM 0 H TYR A 97 -9.304 4.263 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.022 7.073 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.870 5.785 0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.477 4.723 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.924 7.522 1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.137 5.975 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.818 8.962 3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.029 7.419 2.333 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.267 8.941 3.915 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.278 5.277 -1.736 1.00 0.00 N ATOM 1545 CA LEU A 98 -4.835 5.343 -1.940 1.00 0.00 C ATOM 1546 C LEU A 98 -4.503 6.135 -3.201 1.00 0.00 C ATOM 1547 O LEU A 98 -3.526 6.881 -3.238 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.250 3.934 -2.042 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.145 3.615 -1.036 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.245 2.169 -0.574 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -1.778 3.888 -1.646 1.00 0.00 C ATOM 0 H LEU A 98 -6.668 4.336 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.393 5.852 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.057 3.213 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.855 3.794 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.271 4.261 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.450 1.960 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.213 2.005 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.144 1.505 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.001 3.656 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.643 3.265 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.709 4.939 -1.928 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.323 5.963 -4.234 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.115 6.659 -5.498 1.00 0.00 C ATOM 1565 C LYS A 99 -5.134 8.170 -5.296 1.00 0.00 C ATOM 1566 O LYS A 99 -4.296 8.887 -5.842 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.190 6.253 -6.508 1.00 0.00 C ATOM 1568 CG LYS A 99 -6.825 4.905 -6.214 1.00 0.00 C ATOM 1569 CD LYS A 99 -7.440 4.295 -7.464 1.00 0.00 C ATOM 1570 CE LYS A 99 -8.934 4.561 -7.537 1.00 0.00 C ATOM 1571 NZ LYS A 99 -9.415 4.650 -8.945 1.00 0.00 N ATOM 0 H LYS A 99 -6.137 5.348 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.136 6.376 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.968 7.016 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.749 6.227 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.073 4.228 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.593 5.022 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.953 4.706 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.260 3.220 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.470 3.765 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.163 5.490 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.429 4.883 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.886 5.392 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.266 3.737 -9.421 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.094 8.646 -4.509 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.218 10.075 -4.238 1.00 0.00 C ATOM 1587 C LYS A 100 -5.126 10.537 -3.276 1.00 0.00 C ATOM 1588 O LYS A 100 -4.593 11.660 -3.403 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.596 10.374 -3.644 1.00 0.00 C ATOM 1590 CG LYS A 100 -8.731 10.267 -4.650 1.00 0.00 C ATOM 1591 CD LYS A 100 -9.780 9.266 -4.201 1.00 0.00 C ATOM 1592 CE LYS A 100 -11.148 9.916 -4.063 1.00 0.00 C ATOM 1593 NZ LYS A 100 -11.271 10.684 -2.796 1.00 0.00 N ATOM 0 H LYS A 100 -6.795 8.066 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.105 10.617 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.785 9.684 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.590 11.379 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.193 11.245 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.332 9.968 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.835 8.448 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.485 8.831 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.321 10.581 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.920 9.148 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.163 10.433 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.472 10.454 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.265 11.703 -3.005 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.809 9.650 -2.325 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.792 9.897 -1.309 1.00 0.00 C ATOM 1609 C ALA A 101 -2.455 10.236 -1.941 1.00 0.00 C ATOM 1610 O ALA A 101 -1.643 10.954 -1.355 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.656 8.696 -0.388 1.00 0.00 C ATOM 0 H ALA A 101 -5.256 8.737 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.111 10.755 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.893 8.898 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.609 8.506 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.368 7.821 -0.971 1.00 0.00 H new ATOM 1617 N THR A 102 -2.239 9.738 -3.148 1.00 0.00 N ATOM 1618 CA THR A 102 -1.008 10.020 -3.860 1.00 0.00 C ATOM 1619 C THR A 102 -1.318 11.092 -4.880 1.00 0.00 C ATOM 1620 O THR A 102 -0.448 11.858 -5.293 1.00 0.00 O ATOM 1621 CB THR A 102 -0.472 8.763 -4.546 1.00 0.00 C ATOM 1622 OG1 THR A 102 -0.681 8.828 -5.946 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.114 7.487 -4.045 1.00 0.00 C ATOM 0 H THR A 102 -2.896 9.141 -3.650 1.00 0.00 H new ATOM 0 HA THR A 102 -0.237 10.357 -3.167 1.00 0.00 H new ATOM 0 HB THR A 102 0.591 8.734 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.330 8.016 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.688 6.634 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.928 7.382 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.188 7.525 -4.224 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.599 11.181 -5.218 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.078 12.209 -6.116 1.00 0.00 C ATOM 1633 C ASN A 103 -4.564 12.465 -5.890 1.00 0.00 C ATOM 1634 O ASN A 103 -5.407 11.631 -6.216 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.832 11.802 -7.570 1.00 0.00 C ATOM 1636 CG ASN A 103 -4.006 11.055 -8.169 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -4.890 11.651 -8.784 1.00 0.00 O ATOM 1638 ND2 ASN A 103 -4.024 9.738 -7.989 1.00 0.00 N ATOM 0 H ASN A 103 -3.323 10.547 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.530 13.128 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.631 12.693 -8.164 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.941 11.176 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.791 9.182 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.271 9.283 -7.473 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.873 13.635 -5.354 1.00 0.00 N ATOM 1646 CA GLU A 104 -6.252 14.038 -5.094 1.00 0.00 C ATOM 1647 C GLU A 104 -6.330 14.954 -3.877 1.00 0.00 C ATOM 1648 O GLU A 104 -7.455 15.205 -3.397 1.00 0.00 O ATOM 1649 CB GLU A 104 -7.134 12.812 -4.878 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.704 12.239 -6.165 1.00 0.00 C ATOM 1651 CD GLU A 104 -7.287 13.029 -7.389 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -6.070 13.144 -7.637 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -8.182 13.535 -8.101 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.264 15.411 -3.413 1.00 0.00 O ATOM 0 H GLU A 104 -4.179 14.333 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.612 14.586 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.553 12.041 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.956 13.078 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.376 11.205 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.792 12.223 -6.101 1.00 0.00 H new