USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.367 (180deg=-0.367) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 150:sc= -0.101 (180deg=-1.21!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 87:sc= 0.00708 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.583 F(o=-2.2!,f=-0.58) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 114:sc= 0.947 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 25 MET CE :methyl -162:sc= -2.48 (180deg=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0316) USER MOD Single : A 32 THR OG1 : rot 160:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.682) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -0.142 (180deg=-1.53) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.062) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -2.42! C(o=-4.8!,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -129:sc= 0.923 (180deg=-0.205) USER MOD Single : A 68 LYS NZ :NH3+ 135:sc= -0.0607 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.392 -5.563 -9.393 1.00 0.00 N ATOM 2 CA MET A 1 3.430 -4.577 -10.468 1.00 0.00 C ATOM 3 C MET A 1 2.020 -4.201 -10.911 1.00 0.00 C ATOM 4 O MET A 1 1.774 -3.075 -11.342 1.00 0.00 O ATOM 5 CB MET A 1 4.223 -5.120 -11.659 1.00 0.00 C ATOM 6 CG MET A 1 3.650 -6.404 -12.237 1.00 0.00 C ATOM 7 SD MET A 1 4.549 -6.973 -13.692 1.00 0.00 S ATOM 8 CE MET A 1 5.533 -8.293 -12.987 1.00 0.00 C ATOM 0 H1 MET A 1 4.363 -5.803 -9.108 1.00 0.00 H new ATOM 0 H2 MET A 1 2.880 -5.169 -8.578 1.00 0.00 H new ATOM 0 H3 MET A 1 2.906 -6.420 -9.725 1.00 0.00 H new ATOM 0 HA MET A 1 3.924 -3.682 -10.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.253 -4.361 -12.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.252 -5.299 -11.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.671 -7.182 -11.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.604 -6.244 -12.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.146 -8.746 -13.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.178 -7.889 -12.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.875 -9.049 -12.559 1.00 0.00 H new ATOM 18 N ASP A 2 1.097 -5.151 -10.801 1.00 0.00 N ATOM 19 CA ASP A 2 -0.289 -4.919 -11.190 1.00 0.00 C ATOM 20 C ASP A 2 -1.232 -5.176 -10.019 1.00 0.00 C ATOM 21 O ASP A 2 -2.251 -5.851 -10.167 1.00 0.00 O ATOM 22 CB ASP A 2 -0.667 -5.813 -12.372 1.00 0.00 C ATOM 23 CG ASP A 2 0.086 -5.450 -13.637 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.052 -4.264 -14.027 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.709 -6.351 -14.235 1.00 0.00 O ATOM 0 H ASP A 2 1.284 -6.089 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.386 -3.875 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.463 -6.853 -12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.739 -5.734 -12.555 1.00 0.00 H new ATOM 30 N GLU A 3 -0.884 -4.636 -8.855 1.00 0.00 N ATOM 31 CA GLU A 3 -1.699 -4.810 -7.659 1.00 0.00 C ATOM 32 C GLU A 3 -2.226 -3.468 -7.159 1.00 0.00 C ATOM 33 O GLU A 3 -3.429 -3.293 -6.963 1.00 0.00 O ATOM 34 CB GLU A 3 -0.888 -5.494 -6.557 1.00 0.00 C ATOM 35 CG GLU A 3 -1.744 -6.195 -5.516 1.00 0.00 C ATOM 36 CD GLU A 3 -0.917 -6.913 -4.467 1.00 0.00 C ATOM 37 OE1 GLU A 3 0.126 -6.365 -4.056 1.00 0.00 O ATOM 38 OE2 GLU A 3 -1.314 -8.025 -4.058 1.00 0.00 O ATOM 0 H GLU A 3 -0.044 -4.075 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.549 -5.440 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -0.215 -6.221 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.265 -4.750 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.387 -5.463 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.397 -6.913 -6.012 1.00 0.00 H new ATOM 45 N THR A 4 -1.315 -2.521 -6.954 1.00 0.00 N ATOM 46 CA THR A 4 -1.686 -1.195 -6.475 1.00 0.00 C ATOM 47 C THR A 4 -1.053 -0.105 -7.332 1.00 0.00 C ATOM 48 O THR A 4 -0.898 1.033 -6.892 1.00 0.00 O ATOM 49 CB THR A 4 -1.264 -0.989 -5.008 1.00 0.00 C ATOM 50 OG1 THR A 4 0.154 -0.806 -4.927 1.00 0.00 O ATOM 51 CG2 THR A 4 -1.676 -2.178 -4.154 1.00 0.00 C ATOM 0 H THR A 4 -0.315 -2.648 -7.112 1.00 0.00 H new ATOM 0 HA THR A 4 -2.771 -1.125 -6.546 1.00 0.00 H new ATOM 0 HB THR A 4 -1.767 -0.099 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.414 -0.674 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.367 -2.009 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.759 -2.297 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.198 -3.081 -4.533 1.00 0.00 H new ATOM 59 N GLY A 5 -0.688 -0.460 -8.561 1.00 0.00 N ATOM 60 CA GLY A 5 -0.077 0.500 -9.460 1.00 0.00 C ATOM 61 C GLY A 5 -0.963 0.831 -10.645 1.00 0.00 C ATOM 62 O GLY A 5 -0.473 1.078 -11.747 1.00 0.00 O ATOM 0 H GLY A 5 -0.805 -1.396 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.147 1.415 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.872 0.103 -9.820 1.00 0.00 H new ATOM 66 N LYS A 6 -2.272 0.836 -10.419 1.00 0.00 N ATOM 67 CA LYS A 6 -3.231 1.138 -11.475 1.00 0.00 C ATOM 68 C LYS A 6 -3.472 2.641 -11.577 1.00 0.00 C ATOM 69 O LYS A 6 -3.227 3.248 -12.619 1.00 0.00 O ATOM 70 CB LYS A 6 -4.554 0.415 -11.214 1.00 0.00 C ATOM 71 CG LYS A 6 -4.384 -1.044 -10.827 1.00 0.00 C ATOM 72 CD LYS A 6 -3.796 -1.859 -11.967 1.00 0.00 C ATOM 73 CE LYS A 6 -4.884 -2.418 -12.871 1.00 0.00 C ATOM 74 NZ LYS A 6 -5.316 -1.429 -13.897 1.00 0.00 N ATOM 0 H LYS A 6 -2.694 0.634 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.815 0.789 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.091 0.933 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.174 0.475 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.735 -1.117 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.350 -1.460 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.121 -1.234 -12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.202 -2.678 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.518 -3.318 -13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.742 -2.713 -12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.630 -1.931 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.101 -0.860 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.519 -0.805 -14.135 1.00 0.00 H new ATOM 88 N GLU A 7 -3.952 3.234 -10.488 1.00 0.00 N ATOM 89 CA GLU A 7 -4.225 4.666 -10.457 1.00 0.00 C ATOM 90 C GLU A 7 -3.552 5.321 -9.254 1.00 0.00 C ATOM 91 O GLU A 7 -4.158 5.465 -8.191 1.00 0.00 O ATOM 92 CB GLU A 7 -5.734 4.919 -10.412 1.00 0.00 C ATOM 93 CG GLU A 7 -6.365 5.081 -11.785 1.00 0.00 C ATOM 94 CD GLU A 7 -7.759 4.491 -11.859 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.896 3.266 -11.659 1.00 0.00 O ATOM 96 OE2 GLU A 7 -8.714 5.253 -12.118 1.00 0.00 O ATOM 0 H GLU A 7 -4.159 2.746 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.817 5.108 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.218 4.090 -9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.926 5.817 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.409 6.140 -12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.731 4.601 -12.531 1.00 0.00 H new ATOM 103 N LEU A 8 -2.297 5.717 -9.430 1.00 0.00 N ATOM 104 CA LEU A 8 -1.540 6.357 -8.360 1.00 0.00 C ATOM 105 C LEU A 8 -1.755 7.867 -8.368 1.00 0.00 C ATOM 106 O LEU A 8 -1.890 8.480 -9.428 1.00 0.00 O ATOM 107 CB LEU A 8 -0.050 6.042 -8.503 1.00 0.00 C ATOM 108 CG LEU A 8 0.748 5.963 -7.201 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.203 4.860 -6.308 1.00 0.00 C ATOM 110 CD2 LEU A 8 2.224 5.735 -7.493 1.00 0.00 C ATOM 0 H LEU A 8 -1.782 5.606 -10.303 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.899 5.963 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.051 5.091 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.403 6.804 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 8 0.645 6.912 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.783 4.818 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.841 5.066 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.275 3.904 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.776 5.681 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.346 4.800 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.608 6.560 -8.093 1.00 0.00 H new ATOM 122 N VAL A 9 -1.784 8.463 -7.180 1.00 0.00 N ATOM 123 CA VAL A 9 -1.979 9.902 -7.051 1.00 0.00 C ATOM 124 C VAL A 9 -0.925 10.520 -6.139 1.00 0.00 C ATOM 125 O VAL A 9 -0.540 9.930 -5.129 1.00 0.00 O ATOM 126 CB VAL A 9 -3.378 10.231 -6.497 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.442 9.997 -7.559 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.666 9.404 -5.252 1.00 0.00 C ATOM 0 H VAL A 9 -1.675 7.971 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.883 10.325 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.401 11.285 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.424 10.235 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.244 10.636 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.422 8.953 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.658 9.649 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.625 8.344 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.921 9.626 -4.487 1.00 0.00 H new ATOM 138 N LEU A 10 -0.463 11.711 -6.501 1.00 0.00 N ATOM 139 CA LEU A 10 0.547 12.411 -5.715 1.00 0.00 C ATOM 140 C LEU A 10 -0.036 13.666 -5.072 1.00 0.00 C ATOM 141 O LEU A 10 -0.811 14.391 -5.695 1.00 0.00 O ATOM 142 CB LEU A 10 1.740 12.783 -6.597 1.00 0.00 C ATOM 143 CG LEU A 10 2.842 13.604 -5.924 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.921 12.690 -5.364 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.441 14.599 -6.907 1.00 0.00 C ATOM 0 H LEU A 10 -0.771 12.213 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 10 0.883 11.742 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.183 11.864 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.371 13.343 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 10 2.401 14.161 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.696 13.291 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.482 12.017 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.359 12.106 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.223 15.174 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.867 14.062 -7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.662 15.275 -7.261 1.00 0.00 H new ATOM 157 N ALA A 11 0.344 13.915 -3.823 1.00 0.00 N ATOM 158 CA ALA A 11 -0.138 15.084 -3.098 1.00 0.00 C ATOM 159 C ALA A 11 0.598 16.345 -3.538 1.00 0.00 C ATOM 160 O ALA A 11 1.818 16.338 -3.704 1.00 0.00 O ATOM 161 CB ALA A 11 0.017 14.876 -1.598 1.00 0.00 C ATOM 0 H ALA A 11 0.984 13.323 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.196 15.213 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.347 15.757 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.560 14.004 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.069 14.718 -1.359 1.00 0.00 H new ATOM 167 N LEU A 12 -0.151 17.426 -3.726 1.00 0.00 N ATOM 168 CA LEU A 12 0.431 18.696 -4.147 1.00 0.00 C ATOM 169 C LEU A 12 0.537 19.663 -2.973 1.00 0.00 C ATOM 170 O LEU A 12 1.472 20.461 -2.895 1.00 0.00 O ATOM 171 CB LEU A 12 -0.411 19.320 -5.262 1.00 0.00 C ATOM 172 CG LEU A 12 -0.572 18.482 -6.531 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.468 19.195 -7.531 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.787 18.184 -7.148 1.00 0.00 C ATOM 0 H LEU A 12 -1.162 17.449 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 12 1.435 18.500 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.403 19.535 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.036 20.276 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.043 17.536 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.571 18.584 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.450 19.358 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.026 20.156 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.654 17.587 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.284 19.120 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.398 17.631 -6.434 1.00 0.00 H new ATOM 186 N TYR A 13 -0.424 19.584 -2.060 1.00 0.00 N ATOM 187 CA TYR A 13 -0.439 20.453 -0.888 1.00 0.00 C ATOM 188 C TYR A 13 -0.465 19.633 0.398 1.00 0.00 C ATOM 189 O TYR A 13 -0.573 18.407 0.363 1.00 0.00 O ATOM 190 CB TYR A 13 -1.649 21.387 -0.935 1.00 0.00 C ATOM 191 CG TYR A 13 -1.719 22.225 -2.192 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.194 21.688 -3.382 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.312 23.553 -2.189 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.260 22.450 -4.533 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.375 24.322 -3.334 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.849 23.766 -4.504 1.00 0.00 C ATOM 197 OH TYR A 13 -1.914 24.528 -5.648 1.00 0.00 O ATOM 0 H TYR A 13 -1.203 18.927 -2.108 1.00 0.00 H new ATOM 0 HA TYR A 13 0.473 21.050 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.559 20.793 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.621 22.048 -0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.517 20.658 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.940 23.992 -1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.631 22.017 -5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.055 25.353 -3.314 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.588 25.432 -5.458 1.00 0.00 H new ATOM 207 N ASP A 14 -0.365 20.319 1.531 1.00 0.00 N ATOM 208 CA ASP A 14 -0.378 19.656 2.830 1.00 0.00 C ATOM 209 C ASP A 14 -1.799 19.564 3.379 1.00 0.00 C ATOM 210 O ASP A 14 -2.531 20.554 3.401 1.00 0.00 O ATOM 211 CB ASP A 14 0.516 20.405 3.818 1.00 0.00 C ATOM 212 CG ASP A 14 0.055 21.831 4.051 1.00 0.00 C ATOM 213 OD1 ASP A 14 0.463 22.721 3.275 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.715 22.056 5.007 1.00 0.00 O ATOM 0 H ASP A 14 -0.274 21.334 1.576 1.00 0.00 H new ATOM 0 HA ASP A 14 0.008 18.645 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.530 19.871 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.539 20.414 3.443 1.00 0.00 H new ATOM 219 N TYR A 15 -2.182 18.371 3.818 1.00 0.00 N ATOM 220 CA TYR A 15 -3.516 18.149 4.364 1.00 0.00 C ATOM 221 C TYR A 15 -3.442 17.431 5.708 1.00 0.00 C ATOM 222 O TYR A 15 -2.486 16.708 5.985 1.00 0.00 O ATOM 223 CB TYR A 15 -4.362 17.335 3.383 1.00 0.00 C ATOM 224 CG TYR A 15 -5.790 17.135 3.837 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.638 18.219 4.026 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.291 15.862 4.079 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.944 18.042 4.441 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.596 15.674 4.493 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.418 16.767 4.673 1.00 0.00 C ATOM 230 OH TYR A 15 -9.717 16.585 5.087 1.00 0.00 O ATOM 0 H TYR A 15 -1.588 17.542 3.807 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.985 19.121 4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.364 17.836 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.896 16.360 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.270 19.218 3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.649 15.004 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.590 18.896 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.970 14.677 4.675 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.305 16.533 4.305 1.00 0.00 H new ATOM 240 N GLN A 16 -4.460 17.635 6.537 1.00 0.00 N ATOM 241 CA GLN A 16 -4.512 17.008 7.852 1.00 0.00 C ATOM 242 C GLN A 16 -5.836 16.279 8.056 1.00 0.00 C ATOM 243 O GLN A 16 -6.897 16.788 7.694 1.00 0.00 O ATOM 244 CB GLN A 16 -4.318 18.056 8.949 1.00 0.00 C ATOM 245 CG GLN A 16 -5.321 19.197 8.884 1.00 0.00 C ATOM 246 CD GLN A 16 -4.959 20.233 7.839 1.00 0.00 C ATOM 247 OE1 GLN A 16 -5.703 20.251 6.739 1.00 0.00 O flip ATOM 248 NE2 GLN A 16 -4.020 21.010 8.017 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.260 18.230 6.321 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.704 16.278 7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.395 17.570 9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.310 18.465 8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.310 18.794 8.664 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.383 19.678 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.474 20.962 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.788 21.702 7.304 1.00 0.00 H new ATOM 257 N GLU A 17 -5.766 15.086 8.638 1.00 0.00 N ATOM 258 CA GLU A 17 -6.961 14.288 8.889 1.00 0.00 C ATOM 259 C GLU A 17 -7.640 14.718 10.186 1.00 0.00 C ATOM 260 O GLU A 17 -6.985 14.898 11.213 1.00 0.00 O ATOM 261 CB GLU A 17 -6.604 12.802 8.955 1.00 0.00 C ATOM 262 CG GLU A 17 -5.881 12.406 10.232 1.00 0.00 C ATOM 263 CD GLU A 17 -5.257 11.027 10.145 1.00 0.00 C ATOM 264 OE1 GLU A 17 -4.971 10.574 9.017 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.055 10.400 11.206 1.00 0.00 O ATOM 0 H GLU A 17 -4.896 14.651 8.944 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.655 14.451 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.517 12.213 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.978 12.549 8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.104 13.139 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.583 12.431 11.065 1.00 0.00 H new ATOM 272 N LYS A 18 -8.957 14.881 10.132 1.00 0.00 N ATOM 273 CA LYS A 18 -9.728 15.288 11.301 1.00 0.00 C ATOM 274 C LYS A 18 -10.463 14.099 11.910 1.00 0.00 C ATOM 275 O LYS A 18 -10.712 14.062 13.115 1.00 0.00 O ATOM 276 CB LYS A 18 -10.730 16.381 10.921 1.00 0.00 C ATOM 277 CG LYS A 18 -11.836 15.898 9.999 1.00 0.00 C ATOM 278 CD LYS A 18 -12.637 17.058 9.434 1.00 0.00 C ATOM 279 CE LYS A 18 -14.050 16.633 9.064 1.00 0.00 C ATOM 280 NZ LYS A 18 -14.878 17.787 8.616 1.00 0.00 N ATOM 0 H LYS A 18 -9.514 14.737 9.290 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.034 15.682 12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.176 16.785 11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.196 17.199 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.403 15.321 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.500 15.228 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.679 17.864 10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.133 17.454 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.009 15.886 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.523 16.159 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.833 17.455 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.939 18.488 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.441 18.224 7.780 1.00 0.00 H new ATOM 294 N SER A 19 -10.806 13.128 11.070 1.00 0.00 N ATOM 295 CA SER A 19 -11.515 11.938 11.526 1.00 0.00 C ATOM 296 C SER A 19 -10.660 10.689 11.332 1.00 0.00 C ATOM 297 O SER A 19 -9.707 10.672 10.553 1.00 0.00 O ATOM 298 CB SER A 19 -12.838 11.786 10.772 1.00 0.00 C ATOM 299 OG SER A 19 -13.172 12.978 10.083 1.00 0.00 O ATOM 0 H SER A 19 -10.605 13.142 10.070 1.00 0.00 H new ATOM 0 HA SER A 19 -11.723 12.054 12.590 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.764 10.961 10.063 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.633 11.533 11.473 1.00 0.00 H new ATOM 0 HG SER A 19 -13.148 12.815 9.117 1.00 0.00 H new ATOM 305 N PRO A 20 -11.008 9.616 12.059 1.00 0.00 N ATOM 306 CA PRO A 20 -10.286 8.342 11.985 1.00 0.00 C ATOM 307 C PRO A 20 -10.500 7.631 10.653 1.00 0.00 C ATOM 308 O PRO A 20 -9.831 6.643 10.351 1.00 0.00 O ATOM 309 CB PRO A 20 -10.890 7.526 13.130 1.00 0.00 C ATOM 310 CG PRO A 20 -12.250 8.100 13.329 1.00 0.00 C ATOM 311 CD PRO A 20 -12.132 9.565 13.008 1.00 0.00 C ATOM 0 HA PRO A 20 -9.208 8.479 12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.941 6.467 12.877 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.289 7.609 14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.977 7.615 12.678 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.590 7.951 14.354 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.049 9.955 12.566 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.931 10.157 13.901 1.00 0.00 H new ATOM 319 N ARG A 21 -11.437 8.140 9.859 1.00 0.00 N ATOM 320 CA ARG A 21 -11.739 7.553 8.560 1.00 0.00 C ATOM 321 C ARG A 21 -10.875 8.177 7.467 1.00 0.00 C ATOM 322 O ARG A 21 -10.549 7.527 6.475 1.00 0.00 O ATOM 323 CB ARG A 21 -13.220 7.741 8.223 1.00 0.00 C ATOM 324 CG ARG A 21 -13.774 6.672 7.295 1.00 0.00 C ATOM 325 CD ARG A 21 -15.284 6.783 7.157 1.00 0.00 C ATOM 326 NE ARG A 21 -15.955 6.764 8.454 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.216 5.651 9.130 1.00 0.00 C ATOM 328 NH1 ARG A 21 -15.864 4.472 8.635 1.00 0.00 N ATOM 329 NH2 ARG A 21 -16.830 5.715 10.305 1.00 0.00 N ATOM 0 H ARG A 21 -12.000 8.958 10.093 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.517 6.487 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.797 7.742 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.357 8.718 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.310 6.765 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.514 5.685 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.533 7.706 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.654 5.960 6.546 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.239 7.654 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.391 4.418 7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.066 3.619 9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.102 6.620 10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.030 4.860 10.823 1.00 0.00 H new ATOM 343 N GLU A 22 -10.509 9.440 7.658 1.00 0.00 N ATOM 344 CA GLU A 22 -9.685 10.151 6.688 1.00 0.00 C ATOM 345 C GLU A 22 -8.207 9.827 6.889 1.00 0.00 C ATOM 346 O GLU A 22 -7.821 9.235 7.897 1.00 0.00 O ATOM 347 CB GLU A 22 -9.907 11.661 6.806 1.00 0.00 C ATOM 348 CG GLU A 22 -11.112 12.161 6.027 1.00 0.00 C ATOM 349 CD GLU A 22 -12.426 11.809 6.697 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.862 10.645 6.574 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.020 12.698 7.344 1.00 0.00 O ATOM 0 H GLU A 22 -10.770 9.992 8.475 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.979 9.824 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.031 11.921 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.016 12.180 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.044 13.243 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.094 11.735 5.024 1.00 0.00 H new ATOM 358 N VAL A 23 -7.385 10.217 5.920 1.00 0.00 N ATOM 359 CA VAL A 23 -5.950 9.969 5.989 1.00 0.00 C ATOM 360 C VAL A 23 -5.160 11.264 5.836 1.00 0.00 C ATOM 361 O VAL A 23 -5.557 12.163 5.093 1.00 0.00 O ATOM 362 CB VAL A 23 -5.500 8.974 4.903 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.926 7.560 5.264 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.058 9.378 3.546 1.00 0.00 C ATOM 0 H VAL A 23 -7.688 10.706 5.078 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.750 9.539 6.970 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.412 8.996 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.599 6.871 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.473 7.275 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.012 7.519 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.730 8.664 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.147 9.387 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.697 10.373 3.286 1.00 0.00 H new ATOM 374 N THR A 24 -4.038 11.354 6.543 1.00 0.00 N ATOM 375 CA THR A 24 -3.192 12.539 6.487 1.00 0.00 C ATOM 376 C THR A 24 -2.182 12.440 5.349 1.00 0.00 C ATOM 377 O THR A 24 -1.473 11.442 5.221 1.00 0.00 O ATOM 378 CB THR A 24 -2.436 12.753 7.812 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.368 12.924 8.885 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.526 13.969 7.725 1.00 0.00 C ATOM 0 H THR A 24 -3.694 10.619 7.162 1.00 0.00 H new ATOM 0 HA THR A 24 -3.851 13.390 6.312 1.00 0.00 H new ATOM 0 HB THR A 24 -1.822 11.872 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.880 13.058 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.003 14.100 8.672 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.799 13.823 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.123 14.856 7.515 1.00 0.00 H new ATOM 388 N MET A 25 -2.121 13.481 4.526 1.00 0.00 N ATOM 389 CA MET A 25 -1.196 13.511 3.399 1.00 0.00 C ATOM 390 C MET A 25 -0.425 14.827 3.364 1.00 0.00 C ATOM 391 O MET A 25 -0.834 15.815 3.974 1.00 0.00 O ATOM 392 CB MET A 25 -1.952 13.314 2.084 1.00 0.00 C ATOM 393 CG MET A 25 -3.185 14.194 1.955 1.00 0.00 C ATOM 394 SD MET A 25 -4.148 13.828 0.476 1.00 0.00 S ATOM 395 CE MET A 25 -4.990 15.388 0.224 1.00 0.00 C ATOM 0 H MET A 25 -2.701 14.315 4.618 1.00 0.00 H new ATOM 0 HA MET A 25 -0.484 12.696 3.525 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.279 13.522 1.252 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.251 12.269 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.814 14.062 2.835 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.879 15.240 1.935 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.845 15.238 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.335 15.774 1.183 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.303 16.103 -0.229 1.00 0.00 H new ATOM 405 N LYS A 26 0.694 14.833 2.647 1.00 0.00 N ATOM 406 CA LYS A 26 1.523 16.027 2.531 1.00 0.00 C ATOM 407 C LYS A 26 2.034 16.198 1.104 1.00 0.00 C ATOM 408 O LYS A 26 2.142 15.230 0.352 1.00 0.00 O ATOM 409 CB LYS A 26 2.704 15.949 3.501 1.00 0.00 C ATOM 410 CG LYS A 26 2.296 16.014 4.963 1.00 0.00 C ATOM 411 CD LYS A 26 3.497 15.876 5.883 1.00 0.00 C ATOM 412 CE LYS A 26 3.912 14.422 6.043 1.00 0.00 C ATOM 413 NZ LYS A 26 5.353 14.292 6.397 1.00 0.00 N ATOM 0 H LYS A 26 1.048 14.023 2.137 1.00 0.00 H new ATOM 0 HA LYS A 26 0.909 16.891 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.247 15.020 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.393 16.766 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.793 16.961 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.579 15.221 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.331 16.452 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.259 16.297 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.304 13.954 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.716 13.884 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.596 13.286 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.935 14.716 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.536 14.783 7.295 1.00 0.00 H new ATOM 427 N LYS A 27 2.347 17.436 0.738 1.00 0.00 N ATOM 428 CA LYS A 27 2.850 17.735 -0.598 1.00 0.00 C ATOM 429 C LYS A 27 4.025 16.829 -0.953 1.00 0.00 C ATOM 430 O LYS A 27 5.132 17.006 -0.447 1.00 0.00 O ATOM 431 CB LYS A 27 3.278 19.202 -0.688 1.00 0.00 C ATOM 432 CG LYS A 27 4.102 19.669 0.500 1.00 0.00 C ATOM 433 CD LYS A 27 3.310 20.610 1.392 1.00 0.00 C ATOM 434 CE LYS A 27 3.039 21.938 0.700 1.00 0.00 C ATOM 435 NZ LYS A 27 4.262 22.784 0.626 1.00 0.00 N ATOM 0 H LYS A 27 2.261 18.249 1.348 1.00 0.00 H new ATOM 0 HA LYS A 27 2.046 17.553 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.856 19.348 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.389 19.827 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.429 18.805 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.001 20.173 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.365 20.142 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.860 20.786 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.664 21.753 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.258 22.475 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.015 23.718 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.664 22.897 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.962 22.328 0.007 1.00 0.00 H new ATOM 449 N GLY A 28 3.775 15.859 -1.827 1.00 0.00 N ATOM 450 CA GLY A 28 4.822 14.941 -2.235 1.00 0.00 C ATOM 451 C GLY A 28 4.477 13.496 -1.932 1.00 0.00 C ATOM 452 O GLY A 28 5.138 12.578 -2.419 1.00 0.00 O ATOM 0 H GLY A 28 2.866 15.693 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.002 15.052 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.750 15.204 -1.727 1.00 0.00 H new ATOM 456 N ASP A 29 3.441 13.294 -1.126 1.00 0.00 N ATOM 457 CA ASP A 29 3.010 11.950 -0.758 1.00 0.00 C ATOM 458 C ASP A 29 2.443 11.211 -1.966 1.00 0.00 C ATOM 459 O ASP A 29 2.093 11.827 -2.974 1.00 0.00 O ATOM 460 CB ASP A 29 1.962 12.015 0.354 1.00 0.00 C ATOM 461 CG ASP A 29 2.583 11.997 1.737 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.803 12.241 1.842 1.00 0.00 O ATOM 463 OD2 ASP A 29 1.850 11.739 2.714 1.00 0.00 O ATOM 0 H ASP A 29 2.884 14.043 -0.715 1.00 0.00 H new ATOM 0 HA ASP A 29 3.880 11.402 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.368 12.922 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.279 11.172 0.255 1.00 0.00 H new ATOM 468 N ILE A 30 2.356 9.890 -1.858 1.00 0.00 N ATOM 469 CA ILE A 30 1.831 9.068 -2.942 1.00 0.00 C ATOM 470 C ILE A 30 0.877 8.003 -2.412 1.00 0.00 C ATOM 471 O ILE A 30 1.265 7.147 -1.616 1.00 0.00 O ATOM 472 CB ILE A 30 2.964 8.381 -3.726 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.918 9.427 -4.309 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.390 7.507 -4.831 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.275 8.869 -4.676 1.00 0.00 C ATOM 0 H ILE A 30 2.642 9.366 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 30 1.290 9.737 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 30 3.525 7.745 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.463 9.867 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.049 10.231 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.204 7.028 -5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.747 6.743 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.807 8.123 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.898 9.666 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.750 8.454 -3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.156 8.085 -5.423 1.00 0.00 H new ATOM 487 N LEU A 31 -0.373 8.061 -2.859 1.00 0.00 N ATOM 488 CA LEU A 31 -1.384 7.100 -2.431 1.00 0.00 C ATOM 489 C LEU A 31 -1.949 6.338 -3.625 1.00 0.00 C ATOM 490 O LEU A 31 -1.681 6.679 -4.778 1.00 0.00 O ATOM 491 CB LEU A 31 -2.512 7.815 -1.687 1.00 0.00 C ATOM 492 CG LEU A 31 -2.085 8.739 -0.546 1.00 0.00 C ATOM 493 CD1 LEU A 31 -0.945 8.117 0.245 1.00 0.00 C ATOM 494 CD2 LEU A 31 -1.679 10.102 -1.087 1.00 0.00 C ATOM 0 H LEU A 31 -0.711 8.763 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.910 6.385 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.081 8.401 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.189 7.062 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.934 8.874 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.654 8.788 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.270 7.165 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.093 7.952 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.378 10.746 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.845 9.985 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.523 10.552 -1.610 1.00 0.00 H new ATOM 506 N THR A 32 -2.736 5.305 -3.342 1.00 0.00 N ATOM 507 CA THR A 32 -3.341 4.494 -4.392 1.00 0.00 C ATOM 508 C THR A 32 -4.817 4.835 -4.567 1.00 0.00 C ATOM 509 O THR A 32 -5.656 4.444 -3.754 1.00 0.00 O ATOM 510 CB THR A 32 -3.205 2.990 -4.089 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.827 2.652 -3.895 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.782 2.156 -5.223 1.00 0.00 C ATOM 0 H THR A 32 -2.970 5.010 -2.394 1.00 0.00 H new ATOM 0 HA THR A 32 -2.806 4.720 -5.315 1.00 0.00 H new ATOM 0 HB THR A 32 -3.763 2.773 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.764 1.808 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.675 1.097 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.838 2.395 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.247 2.378 -6.146 1.00 0.00 H new ATOM 520 N LEU A 33 -5.128 5.564 -5.633 1.00 0.00 N ATOM 521 CA LEU A 33 -6.505 5.956 -5.916 1.00 0.00 C ATOM 522 C LEU A 33 -7.417 4.735 -5.981 1.00 0.00 C ATOM 523 O LEU A 33 -7.338 3.937 -6.917 1.00 0.00 O ATOM 524 CB LEU A 33 -6.575 6.730 -7.233 1.00 0.00 C ATOM 525 CG LEU A 33 -7.644 7.820 -7.316 1.00 0.00 C ATOM 526 CD1 LEU A 33 -9.009 7.256 -6.952 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.288 8.987 -6.407 1.00 0.00 C ATOM 0 H LEU A 33 -4.446 5.896 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.847 6.599 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.603 7.188 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.747 6.018 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.685 8.185 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.758 8.045 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.267 6.454 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.981 6.864 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.060 9.753 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.219 8.638 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.330 9.407 -6.713 1.00 0.00 H new ATOM 539 N LEU A 34 -8.283 4.596 -4.984 1.00 0.00 N ATOM 540 CA LEU A 34 -9.213 3.473 -4.929 1.00 0.00 C ATOM 541 C LEU A 34 -10.538 3.830 -5.595 1.00 0.00 C ATOM 542 O LEU A 34 -11.081 3.050 -6.376 1.00 0.00 O ATOM 543 CB LEU A 34 -9.455 3.057 -3.477 1.00 0.00 C ATOM 544 CG LEU A 34 -9.622 1.557 -3.228 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.986 1.162 -1.904 1.00 0.00 C ATOM 546 CD2 LEU A 34 -11.094 1.174 -3.250 1.00 0.00 C ATOM 0 H LEU A 34 -8.361 5.247 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.769 2.638 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.621 3.415 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.349 3.566 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.115 1.016 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.115 0.092 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.923 1.401 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.464 1.710 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.194 0.103 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.624 1.723 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.520 1.421 -4.223 1.00 0.00 H new ATOM 558 N ASN A 35 -11.051 5.016 -5.282 1.00 0.00 N ATOM 559 CA ASN A 35 -12.312 5.477 -5.852 1.00 0.00 C ATOM 560 C ASN A 35 -12.245 6.964 -6.188 1.00 0.00 C ATOM 561 O ASN A 35 -12.081 7.804 -5.303 1.00 0.00 O ATOM 562 CB ASN A 35 -13.462 5.214 -4.878 1.00 0.00 C ATOM 563 CG ASN A 35 -14.677 4.621 -5.565 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.293 3.683 -5.060 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.027 5.168 -6.723 1.00 0.00 N ATOM 0 H ASN A 35 -10.613 5.674 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.491 4.922 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.123 4.535 -4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.743 6.148 -4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.836 4.812 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.487 5.945 -7.104 1.00 0.00 H new ATOM 572 N SER A 36 -12.374 7.281 -7.472 1.00 0.00 N ATOM 573 CA SER A 36 -12.326 8.666 -7.926 1.00 0.00 C ATOM 574 C SER A 36 -13.680 9.106 -8.473 1.00 0.00 C ATOM 575 O SER A 36 -13.762 9.994 -9.323 1.00 0.00 O ATOM 576 CB SER A 36 -11.250 8.835 -9.000 1.00 0.00 C ATOM 577 OG SER A 36 -11.095 7.648 -9.759 1.00 0.00 O ATOM 0 H SER A 36 -12.513 6.598 -8.217 1.00 0.00 H new ATOM 0 HA SER A 36 -12.078 9.295 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.517 9.660 -9.660 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.302 9.097 -8.531 1.00 0.00 H new ATOM 0 HG SER A 36 -10.403 7.783 -10.440 1.00 0.00 H new ATOM 583 N THR A 37 -14.743 8.479 -7.979 1.00 0.00 N ATOM 584 CA THR A 37 -16.095 8.804 -8.417 1.00 0.00 C ATOM 585 C THR A 37 -16.433 10.261 -8.124 1.00 0.00 C ATOM 586 O THR A 37 -17.134 10.913 -8.896 1.00 0.00 O ATOM 587 CB THR A 37 -17.139 7.900 -7.736 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.451 8.224 -8.209 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.087 8.057 -6.224 1.00 0.00 C ATOM 0 H THR A 37 -14.694 7.743 -7.275 1.00 0.00 H new ATOM 0 HA THR A 37 -16.127 8.636 -9.494 1.00 0.00 H new ATOM 0 HB THR A 37 -16.908 6.864 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.109 7.644 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.833 7.409 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.096 7.781 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.294 9.094 -5.958 1.00 0.00 H new ATOM 597 N ASN A 38 -15.928 10.767 -7.003 1.00 0.00 N ATOM 598 CA ASN A 38 -16.177 12.149 -6.608 1.00 0.00 C ATOM 599 C ASN A 38 -15.087 13.072 -7.143 1.00 0.00 C ATOM 600 O ASN A 38 -14.009 12.620 -7.529 1.00 0.00 O ATOM 601 CB ASN A 38 -16.251 12.260 -5.084 1.00 0.00 C ATOM 602 CG ASN A 38 -17.676 12.395 -4.583 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.374 11.400 -4.386 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.115 13.631 -4.374 1.00 0.00 N ATOM 0 H ASN A 38 -15.344 10.241 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.131 12.457 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.793 11.378 -4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.670 13.122 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.065 13.784 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.502 14.427 -4.551 1.00 0.00 H new ATOM 611 N LYS A 39 -15.376 14.369 -7.164 1.00 0.00 N ATOM 612 CA LYS A 39 -14.421 15.358 -7.650 1.00 0.00 C ATOM 613 C LYS A 39 -13.767 16.099 -6.489 1.00 0.00 C ATOM 614 O LYS A 39 -12.600 16.484 -6.564 1.00 0.00 O ATOM 615 CB LYS A 39 -15.118 16.356 -8.578 1.00 0.00 C ATOM 616 CG LYS A 39 -15.431 15.792 -9.953 1.00 0.00 C ATOM 617 CD LYS A 39 -16.102 16.826 -10.841 1.00 0.00 C ATOM 618 CE LYS A 39 -15.083 17.602 -11.660 1.00 0.00 C ATOM 619 NZ LYS A 39 -14.558 18.783 -10.919 1.00 0.00 N ATOM 0 H LYS A 39 -16.264 14.760 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.644 14.834 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.045 16.687 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.486 17.237 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.510 15.449 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.080 14.922 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.807 16.331 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.678 17.517 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.256 16.944 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.542 17.933 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.224 19.498 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.315 19.189 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.768 18.488 -10.310 1.00 0.00 H new ATOM 633 N ASP A 40 -14.525 16.295 -5.416 1.00 0.00 N ATOM 634 CA ASP A 40 -14.018 16.988 -4.237 1.00 0.00 C ATOM 635 C ASP A 40 -13.313 16.016 -3.296 1.00 0.00 C ATOM 636 O ASP A 40 -12.179 16.251 -2.881 1.00 0.00 O ATOM 637 CB ASP A 40 -15.160 17.692 -3.502 1.00 0.00 C ATOM 638 CG ASP A 40 -15.949 18.617 -4.407 1.00 0.00 C ATOM 639 OD1 ASP A 40 -16.685 18.108 -5.279 1.00 0.00 O ATOM 640 OD2 ASP A 40 -15.831 19.849 -4.244 1.00 0.00 O ATOM 0 H ASP A 40 -15.493 15.984 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.295 17.734 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.831 16.944 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.753 18.264 -2.668 1.00 0.00 H new ATOM 645 N TRP A 41 -13.994 14.925 -2.964 1.00 0.00 N ATOM 646 CA TRP A 41 -13.433 13.917 -2.071 1.00 0.00 C ATOM 647 C TRP A 41 -12.949 12.703 -2.856 1.00 0.00 C ATOM 648 O TRP A 41 -13.749 11.961 -3.426 1.00 0.00 O ATOM 649 CB TRP A 41 -14.473 13.488 -1.035 1.00 0.00 C ATOM 650 CG TRP A 41 -14.767 14.547 -0.016 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.905 15.295 0.084 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.909 14.975 1.047 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.806 16.163 1.144 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.591 15.986 1.752 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.632 14.601 1.474 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.037 16.626 2.857 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.083 15.238 2.570 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.785 16.240 3.253 1.00 0.00 C ATOM 0 H TRP A 41 -14.934 14.716 -3.299 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.579 14.358 -1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.397 13.220 -1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.120 12.591 -0.526 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.758 15.216 -0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.521 16.831 1.432 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.084 13.828 0.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.576 17.400 3.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.095 14.959 2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.329 16.717 4.108 1.00 0.00 H new ATOM 669 N TRP A 42 -11.636 12.505 -2.881 1.00 0.00 N ATOM 670 CA TRP A 42 -11.046 11.380 -3.597 1.00 0.00 C ATOM 671 C TRP A 42 -10.656 10.265 -2.633 1.00 0.00 C ATOM 672 O TRP A 42 -10.047 10.515 -1.592 1.00 0.00 O ATOM 673 CB TRP A 42 -9.820 11.838 -4.389 1.00 0.00 C ATOM 674 CG TRP A 42 -10.143 12.269 -5.787 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.382 12.530 -6.299 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.212 12.488 -6.853 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.277 12.897 -7.619 1.00 0.00 N ATOM 678 CE2 TRP A 42 -9.957 12.880 -7.982 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.822 12.392 -6.963 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.356 13.175 -9.204 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.228 12.685 -8.175 1.00 0.00 C ATOM 682 CH2 TRP A 42 -7.994 13.073 -9.283 1.00 0.00 C ATOM 0 H TRP A 42 -10.960 13.109 -2.414 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.793 10.992 -4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.344 12.665 -3.862 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.095 11.025 -4.426 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.308 12.458 -5.748 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.056 13.142 -8.230 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.223 12.094 -6.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.945 13.474 -10.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.155 12.614 -8.271 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.499 13.296 -10.217 1.00 0.00 H new ATOM 693 N LYS A 43 -11.011 9.034 -2.984 1.00 0.00 N ATOM 694 CA LYS A 43 -10.697 7.879 -2.150 1.00 0.00 C ATOM 695 C LYS A 43 -9.361 7.264 -2.553 1.00 0.00 C ATOM 696 O LYS A 43 -9.175 6.857 -3.700 1.00 0.00 O ATOM 697 CB LYS A 43 -11.807 6.831 -2.257 1.00 0.00 C ATOM 698 CG LYS A 43 -13.099 7.241 -1.572 1.00 0.00 C ATOM 699 CD LYS A 43 -13.895 8.217 -2.422 1.00 0.00 C ATOM 700 CE LYS A 43 -15.382 8.145 -2.110 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.212 8.606 -3.257 1.00 0.00 N ATOM 0 H LYS A 43 -11.517 8.810 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.623 8.217 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.010 6.635 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.455 5.896 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.702 6.356 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.872 7.697 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.534 9.231 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.733 7.998 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.651 7.120 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.600 8.757 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.762 9.442 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.594 8.853 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.861 7.846 -3.544 1.00 0.00 H new ATOM 715 N VAL A 44 -8.434 7.198 -1.603 1.00 0.00 N ATOM 716 CA VAL A 44 -7.116 6.630 -1.859 1.00 0.00 C ATOM 717 C VAL A 44 -6.720 5.646 -0.764 1.00 0.00 C ATOM 718 O VAL A 44 -7.290 5.654 0.327 1.00 0.00 O ATOM 719 CB VAL A 44 -6.041 7.729 -1.959 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.002 8.310 -3.364 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.296 8.819 -0.929 1.00 0.00 C ATOM 0 H VAL A 44 -8.571 7.531 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.177 6.104 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.069 7.283 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.237 9.085 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.768 7.520 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.973 8.742 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.527 9.587 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.275 9.265 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.269 8.388 0.072 1.00 0.00 H new ATOM 731 N GLU A 45 -5.739 4.800 -1.063 1.00 0.00 N ATOM 732 CA GLU A 45 -5.267 3.808 -0.103 1.00 0.00 C ATOM 733 C GLU A 45 -3.858 4.143 0.376 1.00 0.00 C ATOM 734 O GLU A 45 -2.995 4.524 -0.415 1.00 0.00 O ATOM 735 CB GLU A 45 -5.287 2.412 -0.727 1.00 0.00 C ATOM 736 CG GLU A 45 -5.301 1.288 0.296 1.00 0.00 C ATOM 737 CD GLU A 45 -5.125 -0.079 -0.337 1.00 0.00 C ATOM 738 OE1 GLU A 45 -6.122 -0.630 -0.848 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.988 -0.597 -0.321 1.00 0.00 O ATOM 0 H GLU A 45 -5.256 4.781 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.938 3.823 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.165 2.321 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.413 2.297 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.505 1.453 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.243 1.312 0.844 1.00 0.00 H new ATOM 746 N VAL A 46 -3.632 4.000 1.678 1.00 0.00 N ATOM 747 CA VAL A 46 -2.328 4.286 2.264 1.00 0.00 C ATOM 748 C VAL A 46 -1.815 3.098 3.071 1.00 0.00 C ATOM 749 O VAL A 46 -2.478 2.065 3.166 1.00 0.00 O ATOM 750 CB VAL A 46 -2.382 5.527 3.175 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.924 6.726 2.413 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.225 5.244 4.410 1.00 0.00 C ATOM 0 H VAL A 46 -4.335 3.688 2.347 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.645 4.481 1.437 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.369 5.762 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.955 7.593 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.276 6.940 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.930 6.506 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.253 6.131 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.239 4.983 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.788 4.415 4.967 1.00 0.00 H new ATOM 762 N LYS A 47 -0.630 3.252 3.652 1.00 0.00 N ATOM 763 CA LYS A 47 -0.027 2.194 4.453 1.00 0.00 C ATOM 764 C LYS A 47 0.410 2.724 5.815 1.00 0.00 C ATOM 765 O LYS A 47 0.972 3.815 5.915 1.00 0.00 O ATOM 766 CB LYS A 47 1.173 1.591 3.720 1.00 0.00 C ATOM 767 CG LYS A 47 1.690 0.310 4.350 1.00 0.00 C ATOM 768 CD LYS A 47 2.584 -0.461 3.393 1.00 0.00 C ATOM 769 CE LYS A 47 1.784 -1.448 2.556 1.00 0.00 C ATOM 770 NZ LYS A 47 2.419 -1.696 1.232 1.00 0.00 N ATOM 0 H LYS A 47 -0.068 4.100 3.583 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.777 1.419 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.893 1.390 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.979 2.325 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.246 0.548 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.848 -0.316 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.104 0.237 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.347 -0.996 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.691 -2.390 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.775 -1.064 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.843 -2.374 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.485 -0.801 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.373 -2.086 1.372 1.00 0.00 H new ATOM 784 N ILE A 48 0.150 1.946 6.860 1.00 0.00 N ATOM 785 CA ILE A 48 0.519 2.337 8.214 1.00 0.00 C ATOM 786 C ILE A 48 1.259 1.211 8.929 1.00 0.00 C ATOM 787 O ILE A 48 0.744 0.100 9.062 1.00 0.00 O ATOM 788 CB ILE A 48 -0.718 2.731 9.043 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.511 3.826 8.328 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.300 3.192 10.431 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.952 3.452 8.060 1.00 0.00 C ATOM 0 H ILE A 48 -0.315 1.041 6.795 1.00 0.00 H new ATOM 0 HA ILE A 48 1.177 3.202 8.125 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.359 1.856 9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.486 4.734 8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.022 4.058 7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.185 3.467 11.005 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.226 2.384 10.940 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.359 4.056 10.344 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.453 4.275 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.986 2.562 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.457 3.249 9.004 1.00 0.00 H new ATOM 803 N THR A 49 2.470 1.506 9.391 1.00 0.00 N ATOM 804 CA THR A 49 3.282 0.520 10.093 1.00 0.00 C ATOM 805 C THR A 49 3.022 0.563 11.594 1.00 0.00 C ATOM 806 O THR A 49 3.353 1.541 12.264 1.00 0.00 O ATOM 807 CB THR A 49 4.784 0.744 9.837 1.00 0.00 C ATOM 808 OG1 THR A 49 5.055 0.692 8.432 1.00 0.00 O ATOM 809 CG2 THR A 49 5.618 -0.304 10.559 1.00 0.00 C ATOM 0 H THR A 49 2.910 2.421 9.291 1.00 0.00 H new ATOM 0 HA THR A 49 2.997 -0.458 9.705 1.00 0.00 H new ATOM 0 HB THR A 49 5.053 1.728 10.222 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.012 0.837 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.675 -0.126 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.432 -0.242 11.631 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.345 -1.296 10.200 1.00 0.00 H new ATOM 817 N VAL A 50 2.427 -0.504 12.118 1.00 0.00 N ATOM 818 CA VAL A 50 2.124 -0.589 13.542 1.00 0.00 C ATOM 819 C VAL A 50 2.678 -1.874 14.146 1.00 0.00 C ATOM 820 O VAL A 50 2.357 -2.973 13.695 1.00 0.00 O ATOM 821 CB VAL A 50 0.606 -0.528 13.797 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.310 -0.648 15.284 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.023 0.758 13.232 1.00 0.00 C ATOM 0 H VAL A 50 2.145 -1.322 11.578 1.00 0.00 H new ATOM 0 HA VAL A 50 2.600 0.268 14.019 1.00 0.00 H new ATOM 0 HB VAL A 50 0.135 -1.369 13.288 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.767 -0.603 15.445 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.693 -1.598 15.656 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.791 0.171 15.818 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.050 0.785 13.421 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.497 1.614 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.203 0.798 12.158 1.00 0.00 H new ATOM 833 N ASN A 51 3.513 -1.728 15.170 1.00 0.00 N ATOM 834 CA ASN A 51 4.113 -2.878 15.837 1.00 0.00 C ATOM 835 C ASN A 51 4.886 -3.741 14.843 1.00 0.00 C ATOM 836 O ASN A 51 4.943 -4.962 14.979 1.00 0.00 O ATOM 837 CB ASN A 51 3.033 -3.716 16.524 1.00 0.00 C ATOM 838 CG ASN A 51 3.582 -4.531 17.679 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.864 -5.721 17.535 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.736 -3.893 18.833 1.00 0.00 N ATOM 0 H ASN A 51 3.789 -0.825 15.556 1.00 0.00 H new ATOM 0 HA ASN A 51 4.810 -2.508 16.589 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.244 -3.058 16.889 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.577 -4.386 15.794 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.101 -4.390 19.646 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.489 -2.906 18.907 1.00 0.00 H new ATOM 847 N GLY A 52 5.481 -3.095 13.844 1.00 0.00 N ATOM 848 CA GLY A 52 6.243 -3.819 12.843 1.00 0.00 C ATOM 849 C GLY A 52 5.356 -4.486 11.810 1.00 0.00 C ATOM 850 O GLY A 52 5.845 -5.164 10.907 1.00 0.00 O ATOM 0 H GLY A 52 5.449 -2.084 13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.925 -3.132 12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.856 -4.575 13.334 1.00 0.00 H new ATOM 854 N LYS A 53 4.048 -4.295 11.943 1.00 0.00 N ATOM 855 CA LYS A 53 3.090 -4.883 11.015 1.00 0.00 C ATOM 856 C LYS A 53 2.492 -3.817 10.102 1.00 0.00 C ATOM 857 O LYS A 53 1.774 -2.926 10.558 1.00 0.00 O ATOM 858 CB LYS A 53 1.975 -5.595 11.783 1.00 0.00 C ATOM 859 CG LYS A 53 2.379 -6.959 12.316 1.00 0.00 C ATOM 860 CD LYS A 53 3.256 -6.839 13.550 1.00 0.00 C ATOM 861 CE LYS A 53 3.245 -8.121 14.369 1.00 0.00 C ATOM 862 NZ LYS A 53 3.997 -9.215 13.696 1.00 0.00 N ATOM 0 H LYS A 53 3.627 -3.737 12.686 1.00 0.00 H new ATOM 0 HA LYS A 53 3.619 -5.610 10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.661 -4.967 12.617 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.111 -5.711 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.486 -7.535 12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.913 -7.510 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.278 -6.606 13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.908 -6.010 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.682 -7.930 15.349 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.215 -8.437 14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.966 -10.071 14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.565 -9.415 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.986 -8.924 13.560 1.00 0.00 H new ATOM 876 N THR A 54 2.791 -3.914 8.810 1.00 0.00 N ATOM 877 CA THR A 54 2.283 -2.959 7.834 1.00 0.00 C ATOM 878 C THR A 54 0.805 -3.200 7.546 1.00 0.00 C ATOM 879 O THR A 54 0.401 -4.317 7.219 1.00 0.00 O ATOM 880 CB THR A 54 3.071 -3.033 6.513 1.00 0.00 C ATOM 881 OG1 THR A 54 3.843 -4.238 6.470 1.00 0.00 O ATOM 882 CG2 THR A 54 3.990 -1.830 6.363 1.00 0.00 C ATOM 0 H THR A 54 3.383 -4.645 8.416 1.00 0.00 H new ATOM 0 HA THR A 54 2.408 -1.967 8.268 1.00 0.00 H new ATOM 0 HB THR A 54 2.357 -3.030 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.340 -4.278 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.536 -1.904 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.396 -0.916 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.697 -1.807 7.192 1.00 0.00 H new ATOM 890 N TYR A 55 0.004 -2.149 7.668 1.00 0.00 N ATOM 891 CA TYR A 55 -1.430 -2.247 7.422 1.00 0.00 C ATOM 892 C TYR A 55 -1.832 -1.421 6.205 1.00 0.00 C ATOM 893 O TYR A 55 -1.126 -0.494 5.810 1.00 0.00 O ATOM 894 CB TYR A 55 -2.213 -1.781 8.651 1.00 0.00 C ATOM 895 CG TYR A 55 -2.182 -2.765 9.798 1.00 0.00 C ATOM 896 CD1 TYR A 55 -3.136 -3.769 9.904 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.198 -2.691 10.776 1.00 0.00 C ATOM 898 CE1 TYR A 55 -3.112 -4.670 10.951 1.00 0.00 C ATOM 899 CE2 TYR A 55 -1.165 -3.588 11.826 1.00 0.00 C ATOM 900 CZ TYR A 55 -2.124 -4.575 11.910 1.00 0.00 C ATOM 901 OH TYR A 55 -2.096 -5.471 12.954 1.00 0.00 O ATOM 0 H TYR A 55 0.323 -1.218 7.936 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.668 -3.292 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.807 -0.828 8.990 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.249 -1.602 8.365 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.910 -3.847 9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.446 -1.919 10.714 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.862 -5.444 11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.392 -3.517 12.577 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.337 -5.267 13.540 1.00 0.00 H new ATOM 911 N GLU A 56 -2.973 -1.765 5.615 1.00 0.00 N ATOM 912 CA GLU A 56 -3.469 -1.055 4.442 1.00 0.00 C ATOM 913 C GLU A 56 -4.948 -0.713 4.598 1.00 0.00 C ATOM 914 O GLU A 56 -5.719 -1.489 5.164 1.00 0.00 O ATOM 915 CB GLU A 56 -3.259 -1.897 3.182 1.00 0.00 C ATOM 916 CG GLU A 56 -1.798 -2.075 2.805 1.00 0.00 C ATOM 917 CD GLU A 56 -1.617 -2.521 1.367 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.371 -3.410 0.921 1.00 0.00 O ATOM 919 OE2 GLU A 56 -0.719 -1.979 0.688 1.00 0.00 O ATOM 0 H GLU A 56 -3.570 -2.530 5.930 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.907 -0.126 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.709 -2.878 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.786 -1.429 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.270 -1.134 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.342 -2.809 3.469 1.00 0.00 H new ATOM 926 N ARG A 57 -5.337 0.453 4.093 1.00 0.00 N ATOM 927 CA ARG A 57 -6.723 0.898 4.178 1.00 0.00 C ATOM 928 C ARG A 57 -6.981 2.058 3.220 1.00 0.00 C ATOM 929 O ARG A 57 -6.045 2.689 2.729 1.00 0.00 O ATOM 930 CB ARG A 57 -7.058 1.322 5.609 1.00 0.00 C ATOM 931 CG ARG A 57 -6.480 2.673 5.996 1.00 0.00 C ATOM 932 CD ARG A 57 -6.517 2.885 7.501 1.00 0.00 C ATOM 933 NE ARG A 57 -7.479 3.914 7.886 1.00 0.00 N ATOM 934 CZ ARG A 57 -8.780 3.687 8.026 1.00 0.00 C ATOM 935 NH1 ARG A 57 -9.272 2.474 7.815 1.00 0.00 N ATOM 936 NH2 ARG A 57 -9.593 4.675 8.379 1.00 0.00 N ATOM 0 H ARG A 57 -4.712 1.107 3.621 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.364 0.064 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.141 1.353 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.685 0.566 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.451 2.744 5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.042 3.465 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.774 1.947 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.524 3.168 7.852 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.133 4.858 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.651 1.712 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.272 2.303 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.219 5.610 8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.592 4.500 8.486 1.00 0.00 H new ATOM 950 N GLN A 58 -8.255 2.330 2.959 1.00 0.00 N ATOM 951 CA GLN A 58 -8.635 3.412 2.058 1.00 0.00 C ATOM 952 C GLN A 58 -9.327 4.537 2.821 1.00 0.00 C ATOM 953 O GLN A 58 -10.138 4.289 3.712 1.00 0.00 O ATOM 954 CB GLN A 58 -9.555 2.887 0.955 1.00 0.00 C ATOM 955 CG GLN A 58 -10.972 2.604 1.427 1.00 0.00 C ATOM 956 CD GLN A 58 -11.879 2.139 0.306 1.00 0.00 C ATOM 957 OE1 GLN A 58 -11.863 2.862 -0.808 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -12.587 1.140 0.438 1.00 0.00 N flip ATOM 0 H GLN A 58 -9.041 1.817 3.358 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.727 3.809 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.590 3.616 0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.129 1.972 0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.946 1.843 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.388 3.506 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.568 0.613 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.192 0.839 -0.326 1.00 0.00 H new ATOM 967 N GLY A 59 -9.001 5.776 2.464 1.00 0.00 N ATOM 968 CA GLY A 59 -9.600 6.920 3.125 1.00 0.00 C ATOM 969 C GLY A 59 -9.995 8.012 2.151 1.00 0.00 C ATOM 970 O GLY A 59 -9.713 7.919 0.956 1.00 0.00 O ATOM 0 H GLY A 59 -8.333 6.007 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.481 6.595 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.897 7.324 3.853 1.00 0.00 H new ATOM 974 N PHE A 60 -10.652 9.049 2.660 1.00 0.00 N ATOM 975 CA PHE A 60 -11.090 10.162 1.825 1.00 0.00 C ATOM 976 C PHE A 60 -10.172 11.368 2.003 1.00 0.00 C ATOM 977 O PHE A 60 -9.773 11.700 3.119 1.00 0.00 O ATOM 978 CB PHE A 60 -12.530 10.548 2.167 1.00 0.00 C ATOM 979 CG PHE A 60 -13.458 9.371 2.268 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.564 8.654 3.449 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.224 8.981 1.181 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.418 7.571 3.545 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.080 7.899 1.272 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.176 7.193 2.454 1.00 0.00 C ATOM 0 H PHE A 60 -10.893 9.142 3.647 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.045 9.843 0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.538 11.089 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.905 11.232 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.972 8.945 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.152 9.528 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.492 7.021 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.673 7.606 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.843 6.346 2.526 1.00 0.00 H new ATOM 994 N VAL A 61 -9.841 12.020 0.893 1.00 0.00 N ATOM 995 CA VAL A 61 -8.971 13.190 0.924 1.00 0.00 C ATOM 996 C VAL A 61 -9.373 14.202 -0.143 1.00 0.00 C ATOM 997 O VAL A 61 -9.991 13.864 -1.153 1.00 0.00 O ATOM 998 CB VAL A 61 -7.496 12.798 0.716 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.911 12.221 1.996 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.365 11.810 -0.433 1.00 0.00 C ATOM 0 H VAL A 61 -10.162 11.758 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.083 13.642 1.909 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.932 13.695 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.868 11.950 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.970 12.965 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.475 11.334 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.316 11.544 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.942 10.913 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.743 12.265 -1.349 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.013 15.474 0.082 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.324 16.562 -0.850 1.00 0.00 C ATOM 1012 C PRO A 62 -8.525 16.463 -2.144 1.00 0.00 C ATOM 1013 O PRO A 62 -7.305 16.625 -2.145 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.928 17.819 -0.072 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.895 17.356 0.897 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.274 15.948 1.265 1.00 0.00 C ATOM 0 HA PRO A 62 -10.369 16.547 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.532 18.587 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.786 18.253 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.900 17.389 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.872 17.997 1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.395 15.334 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.892 15.920 2.163 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.220 16.196 -3.245 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.575 16.078 -4.546 1.00 0.00 C ATOM 1026 C ALA A 63 -7.897 17.385 -4.944 1.00 0.00 C ATOM 1027 O ALA A 63 -6.922 17.386 -5.694 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.589 15.665 -5.603 1.00 0.00 C ATOM 0 H ALA A 63 -10.230 16.057 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.807 15.308 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.093 15.581 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.024 14.703 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.377 16.415 -5.664 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.421 18.496 -4.436 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.865 19.809 -4.738 1.00 0.00 C ATOM 1036 C ALA A 64 -6.462 19.957 -4.160 1.00 0.00 C ATOM 1037 O ALA A 64 -5.728 20.880 -4.514 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.777 20.903 -4.202 1.00 0.00 C ATOM 0 H ALA A 64 -9.229 18.513 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.795 19.907 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.350 21.879 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.760 20.817 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.875 20.798 -3.122 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.095 19.044 -3.268 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.780 19.075 -2.639 1.00 0.00 C ATOM 1046 C TYR A 65 -3.866 18.007 -3.232 1.00 0.00 C ATOM 1047 O TYR A 65 -2.711 17.867 -2.829 1.00 0.00 O ATOM 1048 CB TYR A 65 -4.909 18.869 -1.128 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.176 20.147 -0.364 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.111 21.069 -0.818 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.492 20.432 0.811 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.357 22.237 -0.124 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -4.733 21.597 1.513 1.00 0.00 C ATOM 1054 CZ TYR A 65 -5.666 22.497 1.041 1.00 0.00 C ATOM 1055 OH TYR A 65 -5.908 23.659 1.737 1.00 0.00 O ATOM 0 H TYR A 65 -6.690 18.273 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.338 20.053 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.717 18.164 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.992 18.415 -0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.655 20.869 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.759 19.731 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.087 22.943 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.194 21.802 2.426 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.339 23.687 2.535 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.393 17.255 -4.193 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.626 16.200 -4.845 1.00 0.00 C ATOM 1067 C VAL A 66 -3.863 16.198 -6.351 1.00 0.00 C ATOM 1068 O VAL A 66 -4.639 17.001 -6.870 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.985 14.813 -4.278 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.827 14.797 -2.766 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.399 14.424 -4.679 1.00 0.00 C ATOM 0 H VAL A 66 -5.348 17.357 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.574 16.405 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.298 14.079 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.085 13.809 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.794 15.029 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.488 15.542 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.636 13.442 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.103 15.159 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.473 14.392 -5.766 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.190 15.290 -7.049 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.328 15.181 -8.497 1.00 0.00 C ATOM 1083 C LYS A 67 -2.958 13.780 -8.975 1.00 0.00 C ATOM 1084 O LYS A 67 -2.333 13.009 -8.246 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.445 16.219 -9.194 1.00 0.00 C ATOM 1086 CG LYS A 67 -0.957 15.970 -9.014 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.131 16.823 -9.962 1.00 0.00 C ATOM 1088 CE LYS A 67 0.063 16.135 -11.305 1.00 0.00 C ATOM 1089 NZ LYS A 67 1.025 15.002 -11.214 1.00 0.00 N ATOM 0 H LYS A 67 -2.543 14.618 -6.636 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.371 15.370 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.678 16.226 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.689 17.209 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.672 16.188 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.740 14.916 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.624 17.784 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.841 17.030 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.897 15.768 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.423 16.859 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.748 15.100 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.483 15.009 -10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.517 14.104 -11.343 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.347 13.458 -10.203 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.054 12.151 -10.780 1.00 0.00 C ATOM 1105 C LYS A 68 -1.574 12.029 -11.128 1.00 0.00 C ATOM 1106 O LYS A 68 -0.958 12.981 -11.609 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.904 11.922 -12.032 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.115 10.454 -12.364 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.297 10.258 -13.298 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.594 10.079 -12.525 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.234 11.385 -12.205 1.00 0.00 N ATOM 0 H LYS A 68 -3.866 14.084 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.298 11.391 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.875 12.398 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.426 12.413 -12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.214 10.052 -12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.279 9.892 -11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.384 11.118 -13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.124 9.385 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.284 9.470 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.394 9.536 -11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.253 11.331 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.092 11.604 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.805 12.133 -12.786 1.00 0.00 H new ATOM 1125 N LEU A 69 -1.009 10.852 -10.884 1.00 0.00 N ATOM 1126 CA LEU A 69 0.400 10.605 -11.173 1.00 0.00 C ATOM 1127 C LEU A 69 0.728 10.954 -12.621 1.00 0.00 C ATOM 1128 O LEU A 69 1.754 11.573 -12.904 1.00 0.00 O ATOM 1129 CB LEU A 69 0.748 9.140 -10.899 1.00 0.00 C ATOM 1130 CG LEU A 69 2.187 8.724 -11.205 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.637 7.624 -10.255 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.315 8.268 -12.651 1.00 0.00 C ATOM 0 H LEU A 69 -1.504 10.054 -10.487 1.00 0.00 H new ATOM 0 HA LEU A 69 0.996 11.243 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.546 8.929 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.077 8.512 -11.485 1.00 0.00 H new ATOM 0 HG LEU A 69 2.834 9.589 -11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.663 7.340 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.584 7.986 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.986 6.757 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.346 7.976 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.657 7.417 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.034 9.085 -13.316 1.00 0.00 H new ATOM 1144 N ASP A 70 -0.151 10.556 -13.534 1.00 0.00 N ATOM 1145 CA ASP A 70 0.043 10.831 -14.953 1.00 0.00 C ATOM 1146 C ASP A 70 -0.133 12.317 -15.249 1.00 0.00 C ATOM 1147 O ASP A 70 -0.214 12.724 -16.409 1.00 0.00 O ATOM 1148 CB ASP A 70 -0.939 10.012 -15.792 1.00 0.00 C ATOM 1149 CG ASP A 70 -2.307 10.660 -15.879 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -2.727 11.294 -14.889 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -2.958 10.532 -16.938 1.00 0.00 O ATOM 0 H ASP A 70 -1.005 10.042 -13.317 1.00 0.00 H new ATOM 0 HA ASP A 70 1.061 10.545 -15.216 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.536 9.885 -16.797 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.039 9.016 -15.360 1.00 0.00 H new TER 1156 ASP A 70