USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.43) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.552 K(o=-3.2,f=-4.5) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 162:sc= 0.138 (180deg=-0.00487) USER MOD Set 2.3: A 47 HIS : no HD1:sc= -3.87! K(o=-3.2!,f=-4.4) USER MOD Single : A 14 HIS : no HE2:sc= 0.00662 X(o=0.0066,f=-0.23) USER MOD Single : A 18 LYS NZ :NH3+ 134:sc= -0.0496 (180deg=-0.473) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0.228 (180deg=0.228) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.311 (180deg=0.281) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -139:sc= 0.606 USER MOD Single : A 38 SER OG : rot 132:sc= -2.23! USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.662 USER MOD Single : A 44 MET CE :methyl -167:sc= -18.8! (180deg=-20.9!) USER MOD Single : A 48 THR OG1 : rot -62:sc= 0.615 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.843 F(o=-1.9,f=-0.84) USER MOD Single : A 57 HIS : no HE2:sc= -4.15 K(o=-4.1,f=-4.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.48 F(o=-7.4!,f=-4.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.843 4.135 -9.911 1.00 0.00 N ATOM 25 CA PHE A 10 10.995 3.726 -9.056 1.00 0.00 C ATOM 26 C PHE A 10 10.487 2.973 -7.818 1.00 0.00 C ATOM 27 O PHE A 10 9.359 3.140 -7.401 1.00 0.00 O ATOM 28 CB PHE A 10 11.675 5.061 -8.686 1.00 0.00 C ATOM 29 CG PHE A 10 11.899 5.174 -7.187 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.841 5.543 -6.346 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.165 4.919 -6.644 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.044 5.653 -4.967 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.371 5.029 -5.263 1.00 0.00 C ATOM 34 CZ PHE A 10 12.312 5.397 -4.423 1.00 0.00 C ATOM 0 HA PHE A 10 11.689 3.047 -9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.630 5.140 -9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.057 5.892 -9.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.866 5.743 -6.764 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.983 4.637 -7.291 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.226 5.935 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.347 4.830 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.471 5.484 -3.358 1.00 0.00 H new ATOM 44 N VAL A 11 11.321 2.166 -7.219 1.00 0.00 N ATOM 45 CA VAL A 11 10.897 1.425 -5.995 1.00 0.00 C ATOM 46 C VAL A 11 11.719 1.921 -4.806 1.00 0.00 C ATOM 47 O VAL A 11 12.936 1.885 -4.828 1.00 0.00 O ATOM 48 CB VAL A 11 11.159 -0.065 -6.278 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.658 -0.324 -6.481 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.658 -0.897 -5.093 1.00 0.00 C ATOM 0 H VAL A 11 12.278 1.988 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 11 9.845 1.581 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 11 10.630 -0.348 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.821 -1.383 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.017 0.263 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.202 -0.036 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.841 -1.954 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.187 -0.598 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.589 -0.732 -4.959 1.00 0.00 H new ATOM 60 N ASP A 12 11.065 2.414 -3.785 1.00 0.00 N ATOM 61 CA ASP A 12 11.804 2.943 -2.602 1.00 0.00 C ATOM 62 C ASP A 12 12.874 1.960 -2.121 1.00 0.00 C ATOM 63 O ASP A 12 12.576 0.942 -1.523 1.00 0.00 O ATOM 64 CB ASP A 12 10.748 3.158 -1.515 1.00 0.00 C ATOM 65 CG ASP A 12 11.395 3.836 -0.302 1.00 0.00 C ATOM 66 OD1 ASP A 12 11.975 4.897 -0.473 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.295 3.287 0.781 1.00 0.00 O ATOM 0 H ASP A 12 10.049 2.472 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 12 12.328 3.866 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.935 3.774 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.312 2.203 -1.222 1.00 0.00 H new ATOM 72 N ASP A 13 14.123 2.284 -2.351 1.00 0.00 N ATOM 73 CA ASP A 13 15.224 1.408 -1.882 1.00 0.00 C ATOM 74 C ASP A 13 15.270 1.463 -0.354 1.00 0.00 C ATOM 75 O ASP A 13 15.766 0.565 0.300 1.00 0.00 O ATOM 76 CB ASP A 13 16.501 2.002 -2.485 1.00 0.00 C ATOM 77 CG ASP A 13 17.622 0.961 -2.439 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.734 0.196 -3.383 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.349 0.945 -1.459 1.00 0.00 O ATOM 0 H ASP A 13 14.422 3.124 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 13 15.100 0.367 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.320 2.311 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.796 2.894 -1.932 1.00 0.00 H new ATOM 84 N HIS A 14 14.733 2.521 0.211 1.00 0.00 N ATOM 85 CA HIS A 14 14.707 2.669 1.689 1.00 0.00 C ATOM 86 C HIS A 14 13.786 1.611 2.316 1.00 0.00 C ATOM 87 O HIS A 14 13.922 1.269 3.473 1.00 0.00 O ATOM 88 CB HIS A 14 14.168 4.083 1.929 1.00 0.00 C ATOM 89 CG HIS A 14 14.837 4.678 3.137 1.00 0.00 C ATOM 90 ND1 HIS A 14 14.702 4.127 4.403 1.00 0.00 N ATOM 91 CD2 HIS A 14 15.650 5.773 3.289 1.00 0.00 C ATOM 92 CE1 HIS A 14 15.418 4.886 5.253 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.016 5.902 4.626 1.00 0.00 N ATOM 0 H HIS A 14 14.308 3.293 -0.302 1.00 0.00 H new ATOM 0 HA HIS A 14 15.689 2.527 2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.352 4.707 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.089 4.052 2.077 1.00 0.00 H new ATOM 0 HD1 HIS A 14 14.159 3.298 4.645 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.959 6.434 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.499 4.696 6.313 1.00 0.00 H new ATOM 101 N LEU A 15 12.868 1.075 1.552 1.00 0.00 N ATOM 102 CA LEU A 15 11.966 0.016 2.087 1.00 0.00 C ATOM 103 C LEU A 15 12.696 -1.326 1.978 1.00 0.00 C ATOM 104 O LEU A 15 12.597 -2.177 2.838 1.00 0.00 O ATOM 105 CB LEU A 15 10.708 0.080 1.198 1.00 0.00 C ATOM 106 CG LEU A 15 10.703 -1.026 0.130 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.243 -2.345 0.752 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.739 -0.636 -0.994 1.00 0.00 C ATOM 0 H LEU A 15 12.706 1.328 0.577 1.00 0.00 H new ATOM 0 HA LEU A 15 11.690 0.145 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.818 -0.013 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.656 1.054 0.712 1.00 0.00 H new ATOM 0 HG LEU A 15 11.710 -1.147 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.241 -3.125 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.923 -2.625 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.236 -2.227 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.732 -1.417 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.735 -0.516 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.063 0.303 -1.442 1.00 0.00 H new ATOM 120 N LEU A 16 13.443 -1.493 0.916 1.00 0.00 N ATOM 121 CA LEU A 16 14.216 -2.753 0.706 1.00 0.00 C ATOM 122 C LEU A 16 15.316 -2.883 1.753 1.00 0.00 C ATOM 123 O LEU A 16 15.486 -3.930 2.347 1.00 0.00 O ATOM 124 CB LEU A 16 14.825 -2.620 -0.680 1.00 0.00 C ATOM 125 CG LEU A 16 13.788 -3.049 -1.703 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.637 -1.952 -2.753 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.240 -4.352 -2.357 1.00 0.00 C ATOM 0 H LEU A 16 13.551 -0.799 0.176 1.00 0.00 H new ATOM 0 HA LEU A 16 13.584 -3.637 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.133 -1.590 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.718 -3.239 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 16 12.825 -3.211 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.894 -2.254 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.316 -1.029 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.594 -1.788 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.500 -4.666 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.199 -4.198 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.344 -5.124 -1.595 1.00 0.00 H new ATOM 139 N GLU A 17 16.061 -1.826 1.987 1.00 0.00 N ATOM 140 CA GLU A 17 17.157 -1.893 3.011 1.00 0.00 C ATOM 141 C GLU A 17 16.615 -2.413 4.357 1.00 0.00 C ATOM 142 O GLU A 17 17.359 -2.922 5.172 1.00 0.00 O ATOM 143 CB GLU A 17 17.695 -0.465 3.146 1.00 0.00 C ATOM 144 CG GLU A 17 16.601 0.446 3.683 1.00 0.00 C ATOM 145 CD GLU A 17 17.224 1.696 4.312 1.00 0.00 C ATOM 146 OE1 GLU A 17 17.520 2.622 3.576 1.00 0.00 O ATOM 147 OE2 GLU A 17 17.391 1.705 5.521 1.00 0.00 O ATOM 0 H GLU A 17 15.959 -0.926 1.518 1.00 0.00 H new ATOM 0 HA GLU A 17 17.945 -2.583 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.554 -0.452 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.040 -0.103 2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.926 0.732 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.004 -0.086 4.424 1.00 0.00 H new ATOM 154 N LYS A 18 15.323 -2.300 4.585 1.00 0.00 N ATOM 155 CA LYS A 18 14.731 -2.798 5.864 1.00 0.00 C ATOM 156 C LYS A 18 13.946 -4.100 5.629 1.00 0.00 C ATOM 157 O LYS A 18 13.835 -4.928 6.514 1.00 0.00 O ATOM 158 CB LYS A 18 13.792 -1.680 6.325 1.00 0.00 C ATOM 159 CG LYS A 18 14.596 -0.602 7.058 1.00 0.00 C ATOM 160 CD LYS A 18 14.216 0.780 6.518 1.00 0.00 C ATOM 161 CE LYS A 18 13.309 1.498 7.523 1.00 0.00 C ATOM 162 NZ LYS A 18 11.922 1.298 7.012 1.00 0.00 N ATOM 0 H LYS A 18 14.656 -1.883 3.936 1.00 0.00 H new ATOM 0 HA LYS A 18 15.495 -3.026 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.280 -1.245 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.024 -2.085 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.398 -0.652 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.664 -0.775 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.115 1.370 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.705 0.679 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.424 1.082 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.555 2.558 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.301 1.013 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.573 2.186 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.924 0.555 6.284 1.00 0.00 H new ATOM 176 N VAL A 19 13.393 -4.288 4.448 1.00 0.00 N ATOM 177 CA VAL A 19 12.612 -5.538 4.172 1.00 0.00 C ATOM 178 C VAL A 19 13.542 -6.719 3.889 1.00 0.00 C ATOM 179 O VAL A 19 13.287 -7.827 4.319 1.00 0.00 O ATOM 180 CB VAL A 19 11.751 -5.225 2.945 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.544 -5.462 1.656 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.520 -6.132 2.962 1.00 0.00 C ATOM 0 H VAL A 19 13.450 -3.632 3.669 1.00 0.00 H new ATOM 0 HA VAL A 19 12.005 -5.823 5.031 1.00 0.00 H new ATOM 0 HB VAL A 19 11.449 -4.178 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.915 -5.234 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.422 -4.816 1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.859 -6.504 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.899 -5.918 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.836 -7.175 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.947 -5.950 3.871 1.00 0.00 H new ATOM 192 N LEU A 20 14.623 -6.491 3.183 1.00 0.00 N ATOM 193 CA LEU A 20 15.571 -7.607 2.897 1.00 0.00 C ATOM 194 C LEU A 20 16.142 -8.105 4.221 1.00 0.00 C ATOM 195 O LEU A 20 16.533 -9.249 4.350 1.00 0.00 O ATOM 196 CB LEU A 20 16.665 -7.028 1.984 1.00 0.00 C ATOM 197 CG LEU A 20 17.556 -6.045 2.756 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.732 -6.798 3.387 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.092 -4.990 1.787 1.00 0.00 C ATOM 0 H LEU A 20 14.887 -5.585 2.796 1.00 0.00 H new ATOM 0 HA LEU A 20 15.094 -8.453 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.274 -7.837 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.206 -6.520 1.136 1.00 0.00 H new ATOM 0 HG LEU A 20 16.973 -5.565 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.362 -6.096 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.353 -7.556 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.319 -7.278 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.726 -4.288 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.675 -5.477 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.258 -4.453 1.336 1.00 0.00 H new ATOM 211 N GLU A 21 16.152 -7.251 5.217 1.00 0.00 N ATOM 212 CA GLU A 21 16.649 -7.662 6.549 1.00 0.00 C ATOM 213 C GLU A 21 15.632 -8.610 7.192 1.00 0.00 C ATOM 214 O GLU A 21 15.989 -9.515 7.922 1.00 0.00 O ATOM 215 CB GLU A 21 16.758 -6.372 7.359 1.00 0.00 C ATOM 216 CG GLU A 21 18.092 -5.686 7.058 1.00 0.00 C ATOM 217 CD GLU A 21 18.346 -4.583 8.089 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.723 -3.539 7.979 1.00 0.00 O ATOM 219 OE2 GLU A 21 19.158 -4.801 8.972 1.00 0.00 O ATOM 0 H GLU A 21 15.834 -6.284 5.155 1.00 0.00 H new ATOM 0 HA GLU A 21 17.606 -8.181 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.931 -5.705 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.683 -6.592 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.902 -6.415 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.076 -5.263 6.054 1.00 0.00 H new ATOM 226 N LEU A 22 14.361 -8.415 6.903 1.00 0.00 N ATOM 227 CA LEU A 22 13.314 -9.313 7.473 1.00 0.00 C ATOM 228 C LEU A 22 13.311 -10.638 6.709 1.00 0.00 C ATOM 229 O LEU A 22 12.970 -11.674 7.245 1.00 0.00 O ATOM 230 CB LEU A 22 11.993 -8.558 7.281 1.00 0.00 C ATOM 231 CG LEU A 22 11.589 -7.861 8.588 1.00 0.00 C ATOM 232 CD1 LEU A 22 12.823 -7.260 9.272 1.00 0.00 C ATOM 233 CD2 LEU A 22 10.589 -6.745 8.279 1.00 0.00 C ATOM 0 H LEU A 22 14.011 -7.672 6.298 1.00 0.00 H new ATOM 0 HA LEU A 22 13.483 -9.551 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.099 -7.821 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.210 -9.251 6.972 1.00 0.00 H new ATOM 0 HG LEU A 22 11.134 -8.594 9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.523 -6.769 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.537 -8.053 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.288 -6.531 8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.300 -6.248 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.049 -6.020 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.705 -7.170 7.804 1.00 0.00 H new ATOM 245 N ASN A 23 13.725 -10.613 5.467 1.00 0.00 N ATOM 246 CA ASN A 23 13.791 -11.874 4.670 1.00 0.00 C ATOM 247 C ASN A 23 15.142 -12.564 4.922 1.00 0.00 C ATOM 248 O ASN A 23 15.325 -13.722 4.598 1.00 0.00 O ATOM 249 CB ASN A 23 13.672 -11.434 3.208 1.00 0.00 C ATOM 250 CG ASN A 23 12.234 -10.995 2.914 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.324 -11.802 2.930 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.986 -9.742 2.643 1.00 0.00 N ATOM 0 H ASN A 23 14.020 -9.772 4.971 1.00 0.00 H new ATOM 0 HA ASN A 23 13.007 -12.582 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.361 -10.613 3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.954 -12.254 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.031 -9.442 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.747 -9.063 2.629 1.00 0.00 H new ATOM 259 N ALA A 24 16.083 -11.853 5.506 1.00 0.00 N ATOM 260 CA ALA A 24 17.417 -12.432 5.796 1.00 0.00 C ATOM 261 C ALA A 24 17.424 -13.073 7.185 1.00 0.00 C ATOM 262 O ALA A 24 17.987 -14.134 7.381 1.00 0.00 O ATOM 263 CB ALA A 24 18.376 -11.244 5.761 1.00 0.00 C ATOM 0 H ALA A 24 15.970 -10.881 5.794 1.00 0.00 H new ATOM 0 HA ALA A 24 17.694 -13.208 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.389 -11.588 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.344 -10.779 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 24 18.080 -10.515 6.516 1.00 0.00 H new ATOM 269 N LYS A 25 16.797 -12.441 8.151 1.00 0.00 N ATOM 270 CA LYS A 25 16.765 -13.021 9.524 1.00 0.00 C ATOM 271 C LYS A 25 15.485 -13.848 9.692 1.00 0.00 C ATOM 272 O LYS A 25 15.450 -14.811 10.436 1.00 0.00 O ATOM 273 CB LYS A 25 16.815 -11.805 10.475 1.00 0.00 C ATOM 274 CG LYS A 25 15.550 -11.712 11.342 1.00 0.00 C ATOM 275 CD LYS A 25 15.693 -12.623 12.565 1.00 0.00 C ATOM 276 CE LYS A 25 14.316 -13.165 12.967 1.00 0.00 C ATOM 277 NZ LYS A 25 14.546 -14.596 13.318 1.00 0.00 N ATOM 0 H LYS A 25 16.309 -11.552 8.044 1.00 0.00 H new ATOM 0 HA LYS A 25 17.594 -13.697 9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.692 -11.881 11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.925 -10.891 9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.391 -10.682 11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.676 -12.004 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.368 -13.448 12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.133 -12.069 13.394 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.907 -12.613 13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.601 -13.070 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.649 -15.028 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.912 -15.103 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.237 -14.657 14.093 1.00 0.00 H new ATOM 291 N GLY A 26 14.439 -13.476 8.998 1.00 0.00 N ATOM 292 CA GLY A 26 13.155 -14.229 9.102 1.00 0.00 C ATOM 293 C GLY A 26 12.136 -13.409 9.899 1.00 0.00 C ATOM 294 O GLY A 26 11.192 -13.949 10.446 1.00 0.00 O ATOM 0 H GLY A 26 14.421 -12.679 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.766 -14.441 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.324 -15.189 9.590 1.00 0.00 H new ATOM 298 N GLU A 27 12.312 -12.110 9.966 1.00 0.00 N ATOM 299 CA GLU A 27 11.343 -11.263 10.725 1.00 0.00 C ATOM 300 C GLU A 27 10.122 -10.958 9.851 1.00 0.00 C ATOM 301 O GLU A 27 10.249 -10.642 8.682 1.00 0.00 O ATOM 302 CB GLU A 27 12.101 -9.975 11.061 1.00 0.00 C ATOM 303 CG GLU A 27 12.680 -10.070 12.475 1.00 0.00 C ATOM 304 CD GLU A 27 11.551 -9.943 13.503 1.00 0.00 C ATOM 305 OE1 GLU A 27 11.096 -8.832 13.721 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.162 -10.959 14.055 1.00 0.00 O ATOM 0 H GLU A 27 13.082 -11.604 9.529 1.00 0.00 H new ATOM 0 HA GLU A 27 10.980 -11.759 11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.902 -9.815 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.431 -9.118 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.197 -11.021 12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.417 -9.282 12.631 1.00 0.00 H new ATOM 313 N LYS A 28 8.942 -11.058 10.407 1.00 0.00 N ATOM 314 CA LYS A 28 7.712 -10.780 9.612 1.00 0.00 C ATOM 315 C LYS A 28 7.020 -9.524 10.143 1.00 0.00 C ATOM 316 O LYS A 28 6.069 -9.591 10.899 1.00 0.00 O ATOM 317 CB LYS A 28 6.840 -12.018 9.802 1.00 0.00 C ATOM 318 CG LYS A 28 7.415 -13.162 8.969 1.00 0.00 C ATOM 319 CD LYS A 28 6.906 -13.061 7.529 1.00 0.00 C ATOM 320 CE LYS A 28 8.092 -12.840 6.582 1.00 0.00 C ATOM 321 NZ LYS A 28 7.523 -12.139 5.397 1.00 0.00 N ATOM 0 H LYS A 28 8.779 -11.321 11.379 1.00 0.00 H new ATOM 0 HA LYS A 28 7.920 -10.595 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.808 -12.298 10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.815 -11.807 9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.504 -13.123 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.125 -14.120 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.373 -13.972 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.197 -12.238 7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.869 -12.241 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.549 -13.787 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.290 -11.689 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.031 -12.826 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.850 -11.412 5.714 1.00 0.00 H new ATOM 335 N ARG A 29 7.506 -8.378 9.749 1.00 0.00 N ATOM 336 CA ARG A 29 6.899 -7.095 10.218 1.00 0.00 C ATOM 337 C ARG A 29 6.539 -6.203 9.025 1.00 0.00 C ATOM 338 O ARG A 29 6.415 -6.663 7.905 1.00 0.00 O ATOM 339 CB ARG A 29 7.983 -6.433 11.075 1.00 0.00 C ATOM 340 CG ARG A 29 7.353 -5.828 12.331 1.00 0.00 C ATOM 341 CD ARG A 29 7.264 -6.896 13.426 1.00 0.00 C ATOM 342 NE ARG A 29 6.364 -6.314 14.460 1.00 0.00 N ATOM 343 CZ ARG A 29 5.082 -6.571 14.434 1.00 0.00 C ATOM 344 NH1 ARG A 29 4.265 -5.755 13.819 1.00 0.00 N ATOM 345 NH2 ARG A 29 4.619 -7.644 15.023 1.00 0.00 N ATOM 0 H ARG A 29 8.301 -8.273 9.119 1.00 0.00 H new ATOM 0 HA ARG A 29 5.978 -7.258 10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.738 -7.168 11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.490 -5.657 10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.949 -4.985 12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.359 -5.443 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.862 -7.831 13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.247 -7.120 13.840 1.00 0.00 H new ATOM 0 HE ARG A 29 6.748 -5.714 15.190 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.628 -4.919 13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.265 -5.954 13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.258 -8.279 15.502 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.619 -7.845 15.003 1.00 0.00 H new ATOM 359 N LEU A 30 6.370 -4.928 9.266 1.00 0.00 N ATOM 360 CA LEU A 30 6.017 -3.987 8.163 1.00 0.00 C ATOM 361 C LEU A 30 7.222 -3.108 7.802 1.00 0.00 C ATOM 362 O LEU A 30 8.150 -2.958 8.576 1.00 0.00 O ATOM 363 CB LEU A 30 4.847 -3.153 8.722 1.00 0.00 C ATOM 364 CG LEU A 30 5.349 -1.859 9.390 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.579 -0.661 8.828 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.120 -1.946 10.901 1.00 0.00 C ATOM 0 H LEU A 30 6.462 -4.497 10.186 1.00 0.00 H new ATOM 0 HA LEU A 30 5.738 -4.500 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.157 -2.904 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.289 -3.746 9.447 1.00 0.00 H new ATOM 0 HG LEU A 30 6.413 -1.735 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.935 0.254 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.738 -0.599 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.515 -0.785 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.475 -1.031 11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.056 -2.070 11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.666 -2.799 11.303 1.00 0.00 H new ATOM 378 N ILE A 31 7.199 -2.513 6.638 1.00 0.00 N ATOM 379 CA ILE A 31 8.325 -1.622 6.218 1.00 0.00 C ATOM 380 C ILE A 31 7.795 -0.195 6.061 1.00 0.00 C ATOM 381 O ILE A 31 6.603 0.026 6.005 1.00 0.00 O ATOM 382 CB ILE A 31 8.816 -2.172 4.867 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.087 -3.679 4.974 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.103 -1.453 4.444 1.00 0.00 C ATOM 385 CD1 ILE A 31 10.131 -3.959 6.059 1.00 0.00 C ATOM 0 H ILE A 31 6.446 -2.605 5.956 1.00 0.00 H new ATOM 0 HA ILE A 31 9.136 -1.601 6.946 1.00 0.00 H new ATOM 0 HB ILE A 31 8.041 -1.999 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.161 -4.206 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.438 -4.061 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.443 -1.849 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.908 -0.385 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.874 -1.614 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.312 -5.032 6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.061 -3.449 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.764 -3.596 7.019 1.00 0.00 H new ATOM 397 N LYS A 32 8.666 0.774 6.005 1.00 0.00 N ATOM 398 CA LYS A 32 8.211 2.191 5.860 1.00 0.00 C ATOM 399 C LYS A 32 8.929 2.861 4.680 1.00 0.00 C ATOM 400 O LYS A 32 10.047 2.511 4.345 1.00 0.00 O ATOM 401 CB LYS A 32 8.584 2.855 7.187 1.00 0.00 C ATOM 402 CG LYS A 32 7.872 2.128 8.330 1.00 0.00 C ATOM 403 CD LYS A 32 8.850 1.183 9.034 1.00 0.00 C ATOM 404 CE LYS A 32 8.256 0.737 10.375 1.00 0.00 C ATOM 405 NZ LYS A 32 8.718 -0.669 10.558 1.00 0.00 N ATOM 0 H LYS A 32 9.677 0.648 6.053 1.00 0.00 H new ATOM 0 HA LYS A 32 7.144 2.272 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.663 2.820 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.298 3.907 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.475 2.852 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.023 1.565 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.049 0.315 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.804 1.685 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.600 1.374 11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.168 0.796 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.268 -1.075 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.457 -1.232 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.751 -0.682 10.675 1.00 0.00 H new ATOM 419 N THR A 33 8.288 3.809 4.036 1.00 0.00 N ATOM 420 CA THR A 33 8.924 4.487 2.861 1.00 0.00 C ATOM 421 C THR A 33 8.736 6.011 2.929 1.00 0.00 C ATOM 422 O THR A 33 7.805 6.505 3.537 1.00 0.00 O ATOM 423 CB THR A 33 8.193 3.910 1.643 1.00 0.00 C ATOM 424 OG1 THR A 33 8.547 2.542 1.480 1.00 0.00 O ATOM 425 CG2 THR A 33 8.576 4.692 0.385 1.00 0.00 C ATOM 0 H THR A 33 7.353 4.142 4.273 1.00 0.00 H new ATOM 0 HA THR A 33 10.000 4.316 2.825 1.00 0.00 H new ATOM 0 HB THR A 33 7.117 3.992 1.800 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.078 2.173 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.052 4.276 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.297 5.738 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.652 4.620 0.225 1.00 0.00 H new ATOM 433 N TRP A 34 9.619 6.752 2.294 1.00 0.00 N ATOM 434 CA TRP A 34 9.513 8.250 2.292 1.00 0.00 C ATOM 435 C TRP A 34 9.991 8.819 0.943 1.00 0.00 C ATOM 436 O TRP A 34 10.484 9.931 0.877 1.00 0.00 O ATOM 437 CB TRP A 34 10.449 8.733 3.405 1.00 0.00 C ATOM 438 CG TRP A 34 10.041 8.159 4.722 1.00 0.00 C ATOM 439 CD1 TRP A 34 9.147 8.713 5.569 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.506 6.937 5.357 1.00 0.00 C ATOM 441 NE1 TRP A 34 9.034 7.907 6.688 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.856 6.799 6.604 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.422 5.946 4.971 1.00 0.00 C ATOM 444 CZ2 TRP A 34 10.108 5.714 7.442 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.680 4.851 5.810 1.00 0.00 C ATOM 446 CH2 TRP A 34 11.026 4.736 7.045 1.00 0.00 C ATOM 0 H TRP A 34 10.414 6.380 1.774 1.00 0.00 H new ATOM 0 HA TRP A 34 8.484 8.575 2.446 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.474 8.441 3.177 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.431 9.822 3.456 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.609 9.634 5.401 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.420 8.106 7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.932 6.027 4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.598 5.629 8.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.386 4.093 5.503 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.231 3.893 7.689 1.00 0.00 H new ATOM 457 N SER A 35 9.864 8.070 -0.127 1.00 0.00 N ATOM 458 CA SER A 35 10.331 8.575 -1.457 1.00 0.00 C ATOM 459 C SER A 35 9.186 9.262 -2.216 1.00 0.00 C ATOM 460 O SER A 35 8.217 9.688 -1.629 1.00 0.00 O ATOM 461 CB SER A 35 10.819 7.330 -2.197 1.00 0.00 C ATOM 462 OG SER A 35 12.238 7.289 -2.148 1.00 0.00 O ATOM 0 H SER A 35 9.459 7.134 -0.137 1.00 0.00 H new ATOM 0 HA SER A 35 11.116 9.325 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.401 6.433 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.479 7.350 -3.232 1.00 0.00 H new ATOM 0 HG SER A 35 12.587 6.997 -3.016 1.00 0.00 H new ATOM 468 N ARG A 36 9.298 9.385 -3.516 1.00 0.00 N ATOM 469 CA ARG A 36 8.217 10.058 -4.304 1.00 0.00 C ATOM 470 C ARG A 36 7.440 9.032 -5.137 1.00 0.00 C ATOM 471 O ARG A 36 6.235 8.915 -5.017 1.00 0.00 O ATOM 472 CB ARG A 36 8.948 11.052 -5.212 1.00 0.00 C ATOM 473 CG ARG A 36 7.976 12.148 -5.661 1.00 0.00 C ATOM 474 CD ARG A 36 8.076 12.336 -7.178 1.00 0.00 C ATOM 475 NE ARG A 36 9.306 13.153 -7.390 1.00 0.00 N ATOM 476 CZ ARG A 36 10.189 12.788 -8.281 1.00 0.00 C ATOM 477 NH1 ARG A 36 10.164 13.314 -9.479 1.00 0.00 N ATOM 478 NH2 ARG A 36 11.095 11.895 -7.976 1.00 0.00 N ATOM 0 H ARG A 36 10.089 9.049 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 36 7.488 10.553 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.790 11.494 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.355 10.535 -6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.957 11.879 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.208 13.084 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.147 11.376 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.194 12.842 -7.571 1.00 0.00 H new ATOM 0 HE ARG A 36 9.458 13.998 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.456 14.008 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.853 13.030 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.112 11.484 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.784 11.610 -8.672 1.00 0.00 H new ATOM 492 N ARG A 37 8.120 8.284 -5.976 1.00 0.00 N ATOM 493 CA ARG A 37 7.418 7.258 -6.814 1.00 0.00 C ATOM 494 C ARG A 37 7.464 5.888 -6.123 1.00 0.00 C ATOM 495 O ARG A 37 7.534 4.862 -6.771 1.00 0.00 O ATOM 496 CB ARG A 37 8.190 7.222 -8.137 1.00 0.00 C ATOM 497 CG ARG A 37 8.010 8.552 -8.871 1.00 0.00 C ATOM 498 CD ARG A 37 9.374 9.223 -9.054 1.00 0.00 C ATOM 499 NE ARG A 37 9.147 10.283 -10.076 1.00 0.00 N ATOM 500 CZ ARG A 37 9.624 10.142 -11.284 1.00 0.00 C ATOM 501 NH1 ARG A 37 8.874 9.630 -12.226 1.00 0.00 N ATOM 502 NH2 ARG A 37 10.850 10.511 -11.551 1.00 0.00 N ATOM 0 H ARG A 37 9.129 8.340 -6.116 1.00 0.00 H new ATOM 0 HA ARG A 37 6.366 7.501 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.248 7.039 -7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.831 6.401 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.543 8.384 -9.841 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.345 9.205 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.734 9.648 -8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.125 8.507 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 37 8.618 11.120 -9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.918 9.342 -12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.245 9.519 -13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.434 10.909 -10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.222 10.401 -12.494 1.00 0.00 H new ATOM 516 N SER A 38 7.429 5.879 -4.808 1.00 0.00 N ATOM 517 CA SER A 38 7.474 4.605 -4.023 1.00 0.00 C ATOM 518 C SER A 38 6.649 3.492 -4.693 1.00 0.00 C ATOM 519 O SER A 38 5.482 3.661 -4.993 1.00 0.00 O ATOM 520 CB SER A 38 6.882 4.991 -2.666 1.00 0.00 C ATOM 521 OG SER A 38 7.812 5.816 -1.976 1.00 0.00 O ATOM 0 H SER A 38 7.370 6.722 -4.236 1.00 0.00 H new ATOM 0 HA SER A 38 8.484 4.202 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.938 5.519 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.665 4.097 -2.081 1.00 0.00 H new ATOM 0 HG SER A 38 7.349 6.603 -1.620 1.00 0.00 H new ATOM 527 N THR A 39 7.265 2.355 -4.931 1.00 0.00 N ATOM 528 CA THR A 39 6.549 1.212 -5.584 1.00 0.00 C ATOM 529 C THR A 39 6.837 -0.096 -4.832 1.00 0.00 C ATOM 530 O THR A 39 7.769 -0.185 -4.054 1.00 0.00 O ATOM 531 CB THR A 39 7.112 1.147 -7.012 1.00 0.00 C ATOM 532 OG1 THR A 39 6.630 2.256 -7.760 1.00 0.00 O ATOM 533 CG2 THR A 39 6.672 -0.155 -7.696 1.00 0.00 C ATOM 0 H THR A 39 8.241 2.170 -4.698 1.00 0.00 H new ATOM 0 HA THR A 39 5.468 1.349 -5.580 1.00 0.00 H new ATOM 0 HB THR A 39 8.201 1.175 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.094 3.070 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.077 -0.190 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.042 -1.008 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.584 -0.193 -7.740 1.00 0.00 H new ATOM 541 N ILE A 40 6.031 -1.103 -5.055 1.00 0.00 N ATOM 542 CA ILE A 40 6.235 -2.414 -4.351 1.00 0.00 C ATOM 543 C ILE A 40 7.357 -3.246 -5.001 1.00 0.00 C ATOM 544 O ILE A 40 7.763 -2.995 -6.121 1.00 0.00 O ATOM 545 CB ILE A 40 4.910 -3.162 -4.499 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.727 -2.223 -4.252 1.00 0.00 C ATOM 547 CG2 ILE A 40 4.863 -4.293 -3.487 1.00 0.00 C ATOM 548 CD1 ILE A 40 2.895 -2.137 -5.528 1.00 0.00 C ATOM 0 H ILE A 40 5.237 -1.077 -5.695 1.00 0.00 H new ATOM 0 HA ILE A 40 6.523 -2.249 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 40 4.841 -3.555 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.117 -2.593 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.083 -1.233 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.920 -4.831 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.692 -4.977 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.942 -3.884 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.048 -1.470 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.512 -1.749 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.530 -3.130 -5.792 1.00 0.00 H new ATOM 560 N VAL A 41 7.835 -4.259 -4.304 1.00 0.00 N ATOM 561 CA VAL A 41 8.906 -5.149 -4.867 1.00 0.00 C ATOM 562 C VAL A 41 8.615 -6.604 -4.487 1.00 0.00 C ATOM 563 O VAL A 41 7.676 -6.884 -3.765 1.00 0.00 O ATOM 564 CB VAL A 41 10.254 -4.705 -4.261 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.198 -4.272 -5.387 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.073 -3.523 -3.296 1.00 0.00 C ATOM 0 H VAL A 41 7.525 -4.506 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 41 8.938 -5.074 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 41 10.668 -5.549 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.151 -3.958 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.362 -5.109 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.754 -3.441 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.042 -3.236 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.640 -2.678 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.408 -3.815 -2.483 1.00 0.00 H new ATOM 576 N PRO A 42 9.428 -7.487 -5.005 1.00 0.00 N ATOM 577 CA PRO A 42 9.253 -8.938 -4.740 1.00 0.00 C ATOM 578 C PRO A 42 9.579 -9.296 -3.286 1.00 0.00 C ATOM 579 O PRO A 42 8.989 -10.193 -2.718 1.00 0.00 O ATOM 580 CB PRO A 42 10.244 -9.583 -5.696 1.00 0.00 C ATOM 581 CG PRO A 42 11.281 -8.547 -5.951 1.00 0.00 C ATOM 582 CD PRO A 42 10.583 -7.225 -5.878 1.00 0.00 C ATOM 0 HA PRO A 42 8.226 -9.272 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.684 -10.480 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.756 -9.886 -6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.079 -8.606 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.741 -8.690 -6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.231 -6.453 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.270 -6.883 -6.864 1.00 0.00 H new ATOM 590 N GLU A 43 10.506 -8.604 -2.682 1.00 0.00 N ATOM 591 CA GLU A 43 10.861 -8.906 -1.259 1.00 0.00 C ATOM 592 C GLU A 43 9.762 -8.406 -0.300 1.00 0.00 C ATOM 593 O GLU A 43 9.874 -8.548 0.902 1.00 0.00 O ATOM 594 CB GLU A 43 12.170 -8.155 -1.000 1.00 0.00 C ATOM 595 CG GLU A 43 13.365 -9.050 -1.336 1.00 0.00 C ATOM 596 CD GLU A 43 13.594 -10.059 -0.207 1.00 0.00 C ATOM 597 OE1 GLU A 43 12.934 -11.085 -0.209 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.430 -9.788 0.639 1.00 0.00 O ATOM 0 H GLU A 43 11.034 -7.843 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 43 10.961 -9.978 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.204 -7.248 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.220 -7.845 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.185 -9.575 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.258 -8.441 -1.478 1.00 0.00 H new ATOM 605 N MET A 44 8.712 -7.810 -0.821 1.00 0.00 N ATOM 606 CA MET A 44 7.614 -7.281 0.053 1.00 0.00 C ATOM 607 C MET A 44 6.456 -8.289 0.193 1.00 0.00 C ATOM 608 O MET A 44 5.537 -8.066 0.952 1.00 0.00 O ATOM 609 CB MET A 44 7.123 -6.017 -0.657 1.00 0.00 C ATOM 610 CG MET A 44 8.310 -5.174 -1.139 1.00 0.00 C ATOM 611 SD MET A 44 9.665 -5.256 0.060 1.00 0.00 S ATOM 612 CE MET A 44 11.022 -5.302 -1.133 1.00 0.00 C ATOM 0 H MET A 44 8.569 -7.667 -1.821 1.00 0.00 H new ATOM 0 HA MET A 44 7.973 -7.090 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.496 -6.290 -1.505 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.504 -5.429 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.651 -5.535 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.998 -4.139 -1.276 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.944 -5.585 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.798 -6.032 -1.911 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.144 -4.317 -1.584 1.00 0.00 H new ATOM 622 N VAL A 45 6.492 -9.376 -0.546 1.00 0.00 N ATOM 623 CA VAL A 45 5.398 -10.419 -0.510 1.00 0.00 C ATOM 624 C VAL A 45 4.936 -10.819 0.918 1.00 0.00 C ATOM 625 O VAL A 45 3.954 -11.522 1.066 1.00 0.00 O ATOM 626 CB VAL A 45 6.034 -11.622 -1.219 1.00 0.00 C ATOM 627 CG1 VAL A 45 5.128 -12.848 -1.101 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.248 -11.282 -2.697 1.00 0.00 C ATOM 0 H VAL A 45 7.252 -9.594 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 45 4.490 -10.039 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 45 6.991 -11.847 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.592 -13.694 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.982 -13.092 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.164 -12.633 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.700 -12.134 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.289 -11.051 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.908 -10.419 -2.780 1.00 0.00 H new ATOM 638 N GLY A 46 5.602 -10.393 1.959 1.00 0.00 N ATOM 639 CA GLY A 46 5.158 -10.770 3.334 1.00 0.00 C ATOM 640 C GLY A 46 5.377 -9.594 4.288 1.00 0.00 C ATOM 641 O GLY A 46 5.708 -9.782 5.444 1.00 0.00 O ATOM 0 H GLY A 46 6.432 -9.802 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.105 -11.050 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.715 -11.640 3.681 1.00 0.00 H new ATOM 645 N HIS A 47 5.207 -8.382 3.814 1.00 0.00 N ATOM 646 CA HIS A 47 5.418 -7.193 4.695 1.00 0.00 C ATOM 647 C HIS A 47 4.380 -6.108 4.392 1.00 0.00 C ATOM 648 O HIS A 47 3.918 -5.967 3.276 1.00 0.00 O ATOM 649 CB HIS A 47 6.829 -6.673 4.370 1.00 0.00 C ATOM 650 CG HIS A 47 7.816 -7.813 4.333 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.583 -8.166 5.432 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.166 -8.688 3.334 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.348 -9.213 5.070 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.134 -9.570 3.802 1.00 0.00 N ATOM 0 H HIS A 47 4.931 -8.167 2.856 1.00 0.00 H new ATOM 0 HA HIS A 47 5.314 -7.457 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.821 -6.159 3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.135 -5.943 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.752 -8.691 2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.050 -9.705 5.727 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.584 -10.327 3.287 1.00 0.00 H new ATOM 662 N THR A 48 4.040 -5.325 5.382 1.00 0.00 N ATOM 663 CA THR A 48 3.059 -4.219 5.191 1.00 0.00 C ATOM 664 C THR A 48 3.860 -2.926 5.033 1.00 0.00 C ATOM 665 O THR A 48 4.075 -2.185 5.973 1.00 0.00 O ATOM 666 CB THR A 48 2.200 -4.198 6.472 1.00 0.00 C ATOM 667 OG1 THR A 48 2.258 -5.461 7.123 1.00 0.00 O ATOM 668 CG2 THR A 48 0.748 -3.888 6.110 1.00 0.00 C ATOM 0 H THR A 48 4.408 -5.408 6.330 1.00 0.00 H new ATOM 0 HA THR A 48 2.420 -4.339 4.316 1.00 0.00 H new ATOM 0 HB THR A 48 2.587 -3.430 7.142 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.881 -6.149 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.142 -3.874 7.016 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.694 -2.915 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.370 -4.654 5.433 1.00 0.00 H new ATOM 676 N ILE A 49 4.343 -2.681 3.848 1.00 0.00 N ATOM 677 CA ILE A 49 5.186 -1.468 3.614 1.00 0.00 C ATOM 678 C ILE A 49 4.336 -0.209 3.517 1.00 0.00 C ATOM 679 O ILE A 49 3.453 -0.112 2.685 1.00 0.00 O ATOM 680 CB ILE A 49 5.901 -1.713 2.282 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.609 -3.070 2.313 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.933 -0.601 2.050 1.00 0.00 C ATOM 683 CD1 ILE A 49 7.310 -3.308 0.980 1.00 0.00 C ATOM 0 H ILE A 49 4.192 -3.268 3.027 1.00 0.00 H new ATOM 0 HA ILE A 49 5.882 -1.315 4.439 1.00 0.00 H new ATOM 0 HB ILE A 49 5.170 -1.711 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.334 -3.096 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.887 -3.864 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.445 -0.771 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.427 0.364 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.661 -0.605 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.814 -4.274 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.574 -3.300 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.043 -2.520 0.809 1.00 0.00 H new ATOM 695 N ALA A 50 4.618 0.773 4.338 1.00 0.00 N ATOM 696 CA ALA A 50 3.851 2.041 4.260 1.00 0.00 C ATOM 697 C ALA A 50 4.431 2.873 3.126 1.00 0.00 C ATOM 698 O ALA A 50 5.184 3.808 3.334 1.00 0.00 O ATOM 699 CB ALA A 50 4.015 2.733 5.612 1.00 0.00 C ATOM 0 H ALA A 50 5.344 0.746 5.054 1.00 0.00 H new ATOM 0 HA ALA A 50 2.791 1.888 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.467 3.675 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.623 2.090 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.072 2.928 5.795 1.00 0.00 H new ATOM 705 N VAL A 51 4.095 2.504 1.920 1.00 0.00 N ATOM 706 CA VAL A 51 4.629 3.230 0.729 1.00 0.00 C ATOM 707 C VAL A 51 4.236 4.706 0.787 1.00 0.00 C ATOM 708 O VAL A 51 3.070 5.048 0.890 1.00 0.00 O ATOM 709 CB VAL A 51 4.013 2.544 -0.504 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.367 1.053 -0.501 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.487 2.707 -0.496 1.00 0.00 C ATOM 0 H VAL A 51 3.470 1.727 1.706 1.00 0.00 H new ATOM 0 HA VAL A 51 5.718 3.194 0.692 1.00 0.00 H new ATOM 0 HB VAL A 51 4.417 3.012 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.928 0.573 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.450 0.936 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.974 0.588 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.064 2.217 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.077 2.253 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.234 3.767 -0.515 1.00 0.00 H new ATOM 721 N TYR A 52 5.200 5.585 0.722 1.00 0.00 N ATOM 722 CA TYR A 52 4.880 7.034 0.767 1.00 0.00 C ATOM 723 C TYR A 52 4.292 7.459 -0.581 1.00 0.00 C ATOM 724 O TYR A 52 4.995 7.583 -1.566 1.00 0.00 O ATOM 725 CB TYR A 52 6.207 7.752 1.046 1.00 0.00 C ATOM 726 CG TYR A 52 5.929 9.181 1.453 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.285 9.455 2.664 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.319 10.231 0.619 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.033 10.780 3.040 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.068 11.554 0.990 1.00 0.00 C ATOM 731 CZ TYR A 52 5.426 11.831 2.202 1.00 0.00 C ATOM 732 OH TYR A 52 5.177 13.138 2.570 1.00 0.00 O ATOM 0 H TYR A 52 6.191 5.360 0.640 1.00 0.00 H new ATOM 0 HA TYR A 52 4.146 7.277 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.753 7.237 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.838 7.732 0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.982 8.644 3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.816 10.019 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.536 10.991 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.369 12.363 0.341 1.00 0.00 H new ATOM 0 HH TYR A 52 5.515 13.743 1.877 1.00 0.00 H new ATOM 742 N ASN A 53 2.999 7.680 -0.625 1.00 0.00 N ATOM 743 CA ASN A 53 2.340 8.100 -1.904 1.00 0.00 C ATOM 744 C ASN A 53 2.765 9.528 -2.300 1.00 0.00 C ATOM 745 O ASN A 53 2.328 10.060 -3.302 1.00 0.00 O ATOM 746 CB ASN A 53 0.837 8.041 -1.590 1.00 0.00 C ATOM 747 CG ASN A 53 0.025 8.623 -2.752 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.251 7.940 -3.718 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.372 9.867 -2.695 1.00 0.00 N ATOM 0 H ASN A 53 2.370 7.587 0.172 1.00 0.00 H new ATOM 0 HA ASN A 53 2.616 7.463 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.537 7.009 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.628 8.598 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.914 10.265 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.140 10.440 -1.884 1.00 0.00 H new ATOM 756 N GLY A 54 3.597 10.155 -1.508 1.00 0.00 N ATOM 757 CA GLY A 54 4.032 11.550 -1.804 1.00 0.00 C ATOM 758 C GLY A 54 3.605 12.435 -0.630 1.00 0.00 C ATOM 759 O GLY A 54 4.110 13.525 -0.440 1.00 0.00 O ATOM 0 H GLY A 54 3.997 9.754 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.113 11.592 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.580 11.902 -2.731 1.00 0.00 H new ATOM 763 N LYS A 55 2.673 11.956 0.163 1.00 0.00 N ATOM 764 CA LYS A 55 2.189 12.733 1.341 1.00 0.00 C ATOM 765 C LYS A 55 1.963 11.813 2.552 1.00 0.00 C ATOM 766 O LYS A 55 2.050 12.246 3.686 1.00 0.00 O ATOM 767 CB LYS A 55 0.857 13.363 0.910 1.00 0.00 C ATOM 768 CG LYS A 55 0.046 12.383 0.049 1.00 0.00 C ATOM 769 CD LYS A 55 -1.447 12.695 0.193 1.00 0.00 C ATOM 770 CE LYS A 55 -2.271 11.566 -0.438 1.00 0.00 C ATOM 771 NZ LYS A 55 -2.558 12.022 -1.828 1.00 0.00 N ATOM 0 H LYS A 55 2.225 11.048 0.038 1.00 0.00 H new ATOM 0 HA LYS A 55 2.920 13.484 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.280 13.644 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.047 14.278 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.347 12.464 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.246 11.357 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.706 12.803 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.679 13.643 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.717 10.627 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.192 11.393 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.119 11.299 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.092 12.914 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.663 12.172 -2.336 1.00 0.00 H new ATOM 785 N GLN A 56 1.640 10.559 2.324 1.00 0.00 N ATOM 786 CA GLN A 56 1.370 9.632 3.465 1.00 0.00 C ATOM 787 C GLN A 56 2.032 8.261 3.266 1.00 0.00 C ATOM 788 O GLN A 56 2.255 7.817 2.156 1.00 0.00 O ATOM 789 CB GLN A 56 -0.163 9.534 3.478 1.00 0.00 C ATOM 790 CG GLN A 56 -0.650 8.136 3.078 1.00 0.00 C ATOM 791 CD GLN A 56 -1.353 7.475 4.268 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.655 7.128 5.316 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.550 7.272 4.244 1.00 0.00 N flip ATOM 0 H GLN A 56 1.553 10.141 1.398 1.00 0.00 H new ATOM 0 HA GLN A 56 1.782 9.991 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.534 9.776 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.580 10.273 2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.334 8.207 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.193 7.525 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.097 7.542 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.009 6.831 5.041 1.00 0.00 H new ATOM 802 N HIS A 57 2.304 7.581 4.354 1.00 0.00 N ATOM 803 CA HIS A 57 2.906 6.219 4.284 1.00 0.00 C ATOM 804 C HIS A 57 1.781 5.193 4.459 1.00 0.00 C ATOM 805 O HIS A 57 1.274 5.011 5.550 1.00 0.00 O ATOM 806 CB HIS A 57 3.889 6.115 5.468 1.00 0.00 C ATOM 807 CG HIS A 57 4.527 7.447 5.778 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.730 7.844 5.219 1.00 0.00 N ATOM 809 CD2 HIS A 57 4.138 8.479 6.597 1.00 0.00 C ATOM 810 CE1 HIS A 57 6.017 9.066 5.703 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.080 9.499 6.548 1.00 0.00 N ATOM 0 H HIS A 57 2.130 7.920 5.300 1.00 0.00 H new ATOM 0 HA HIS A 57 3.416 6.039 3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.361 5.750 6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.664 5.385 5.235 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.295 7.308 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.235 8.495 7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.900 9.629 5.439 1.00 0.00 H new ATOM 819 N VAL A 58 1.371 4.535 3.405 1.00 0.00 N ATOM 820 CA VAL A 58 0.263 3.534 3.537 1.00 0.00 C ATOM 821 C VAL A 58 0.847 2.131 3.745 1.00 0.00 C ATOM 822 O VAL A 58 1.298 1.515 2.796 1.00 0.00 O ATOM 823 CB VAL A 58 -0.514 3.606 2.213 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.756 2.715 2.296 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.952 5.051 1.945 1.00 0.00 C ATOM 0 H VAL A 58 1.750 4.644 2.464 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.381 3.744 4.391 1.00 0.00 H new ATOM 0 HB VAL A 58 0.132 3.264 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.305 2.768 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.453 1.685 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.396 3.057 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.502 5.096 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.593 5.394 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.073 5.692 1.882 1.00 0.00 H new ATOM 835 N PRO A 59 0.836 1.673 4.987 1.00 0.00 N ATOM 836 CA PRO A 59 1.388 0.328 5.321 1.00 0.00 C ATOM 837 C PRO A 59 0.527 -0.734 4.665 1.00 0.00 C ATOM 838 O PRO A 59 -0.501 -1.142 5.174 1.00 0.00 O ATOM 839 CB PRO A 59 1.310 0.267 6.846 1.00 0.00 C ATOM 840 CG PRO A 59 0.235 1.238 7.203 1.00 0.00 C ATOM 841 CD PRO A 59 0.303 2.339 6.178 1.00 0.00 C ATOM 0 HA PRO A 59 2.406 0.162 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.068 -0.738 7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.261 0.541 7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.743 0.757 7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.385 1.632 8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.680 2.771 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.951 3.152 6.506 1.00 0.00 H new ATOM 849 N VAL A 60 0.935 -1.142 3.507 1.00 0.00 N ATOM 850 CA VAL A 60 0.153 -2.144 2.737 1.00 0.00 C ATOM 851 C VAL A 60 0.857 -3.497 2.676 1.00 0.00 C ATOM 852 O VAL A 60 1.980 -3.599 2.222 1.00 0.00 O ATOM 853 CB VAL A 60 0.067 -1.551 1.331 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.550 -2.579 0.384 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.789 -0.283 1.361 1.00 0.00 C ATOM 0 H VAL A 60 1.789 -0.822 3.051 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.818 -2.327 3.198 1.00 0.00 H new ATOM 0 HB VAL A 60 1.066 -1.295 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.612 -2.158 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.071 -3.474 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.550 -2.839 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.850 0.139 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.791 -0.529 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.337 0.445 2.034 1.00 0.00 H new ATOM 865 N TYR A 61 0.183 -4.543 3.083 1.00 0.00 N ATOM 866 CA TYR A 61 0.792 -5.898 2.987 1.00 0.00 C ATOM 867 C TYR A 61 0.851 -6.278 1.504 1.00 0.00 C ATOM 868 O TYR A 61 -0.164 -6.469 0.858 1.00 0.00 O ATOM 869 CB TYR A 61 -0.139 -6.834 3.759 1.00 0.00 C ATOM 870 CG TYR A 61 0.662 -7.991 4.308 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.171 -8.966 3.442 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.895 -8.087 5.684 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.910 -10.037 3.952 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.636 -9.158 6.195 1.00 0.00 C ATOM 875 CZ TYR A 61 2.144 -10.134 5.328 1.00 0.00 C ATOM 876 OH TYR A 61 2.874 -11.191 5.832 1.00 0.00 O ATOM 0 H TYR A 61 -0.758 -4.515 3.475 1.00 0.00 H new ATOM 0 HA TYR A 61 1.800 -5.950 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.624 -6.294 4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.929 -7.202 3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.993 -8.891 2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.503 -7.334 6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.301 -10.790 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.816 -9.232 7.257 1.00 0.00 H new ATOM 0 HH TYR A 61 2.944 -11.106 6.806 1.00 0.00 H new ATOM 886 N ILE A 62 2.032 -6.335 0.955 1.00 0.00 N ATOM 887 CA ILE A 62 2.187 -6.643 -0.502 1.00 0.00 C ATOM 888 C ILE A 62 1.630 -8.023 -0.870 1.00 0.00 C ATOM 889 O ILE A 62 0.774 -8.136 -1.726 1.00 0.00 O ATOM 890 CB ILE A 62 3.694 -6.580 -0.747 1.00 0.00 C ATOM 891 CG1 ILE A 62 4.106 -5.136 -1.010 1.00 0.00 C ATOM 892 CG2 ILE A 62 4.076 -7.431 -1.965 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.169 -4.347 0.292 1.00 0.00 C ATOM 0 H ILE A 62 2.907 -6.180 1.455 1.00 0.00 H new ATOM 0 HA ILE A 62 1.628 -5.940 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 62 4.205 -6.965 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.079 -5.114 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.395 -4.668 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.153 -7.375 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.789 -8.468 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.558 -7.056 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.465 -3.319 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.188 -4.352 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.899 -4.805 0.960 1.00 0.00 H new ATOM 905 N THR A 63 2.148 -9.066 -0.269 1.00 0.00 N ATOM 906 CA THR A 63 1.704 -10.457 -0.606 1.00 0.00 C ATOM 907 C THR A 63 2.199 -10.791 -2.018 1.00 0.00 C ATOM 908 O THR A 63 2.541 -9.908 -2.784 1.00 0.00 O ATOM 909 CB THR A 63 0.167 -10.468 -0.534 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.271 -9.712 0.589 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.327 -11.909 -0.395 1.00 0.00 C ATOM 0 H THR A 63 2.869 -9.013 0.450 1.00 0.00 H new ATOM 0 HA THR A 63 2.106 -11.201 0.081 1.00 0.00 H new ATOM 0 HB THR A 63 -0.236 -10.027 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.250 -9.722 0.628 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.416 -11.917 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.000 -12.491 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.082 -12.348 0.515 1.00 0.00 H new ATOM 919 N GLU A 64 2.257 -12.044 -2.374 1.00 0.00 N ATOM 920 CA GLU A 64 2.747 -12.398 -3.741 1.00 0.00 C ATOM 921 C GLU A 64 1.633 -12.161 -4.774 1.00 0.00 C ATOM 922 O GLU A 64 1.172 -13.082 -5.425 1.00 0.00 O ATOM 923 CB GLU A 64 3.116 -13.885 -3.661 1.00 0.00 C ATOM 924 CG GLU A 64 3.901 -14.296 -4.913 1.00 0.00 C ATOM 925 CD GLU A 64 5.310 -13.699 -4.862 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.156 -14.282 -4.202 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.520 -12.670 -5.483 1.00 0.00 O ATOM 0 H GLU A 64 1.990 -12.833 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 64 3.598 -11.792 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.713 -14.073 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.213 -14.489 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.959 -15.383 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.382 -13.951 -5.808 1.00 0.00 H new ATOM 934 N ASN A 65 1.186 -10.931 -4.923 1.00 0.00 N ATOM 935 CA ASN A 65 0.092 -10.644 -5.907 1.00 0.00 C ATOM 936 C ASN A 65 -0.181 -9.136 -6.066 1.00 0.00 C ATOM 937 O ASN A 65 -0.644 -8.706 -7.105 1.00 0.00 O ATOM 938 CB ASN A 65 -1.150 -11.337 -5.336 1.00 0.00 C ATOM 939 CG ASN A 65 -2.019 -11.859 -6.484 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.883 -12.995 -6.895 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.910 -11.073 -7.024 1.00 0.00 N ATOM 0 H ASN A 65 1.530 -10.120 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 65 0.368 -11.003 -6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.853 -12.161 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.720 -10.638 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.492 -11.412 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.025 -10.120 -6.680 1.00 0.00 H new ATOM 948 N MET A 66 0.073 -8.331 -5.058 1.00 0.00 N ATOM 949 CA MET A 66 -0.212 -6.866 -5.189 1.00 0.00 C ATOM 950 C MET A 66 1.056 -6.072 -5.559 1.00 0.00 C ATOM 951 O MET A 66 1.041 -4.859 -5.587 1.00 0.00 O ATOM 952 CB MET A 66 -0.727 -6.451 -3.813 1.00 0.00 C ATOM 953 CG MET A 66 -1.841 -7.399 -3.350 1.00 0.00 C ATOM 954 SD MET A 66 -3.245 -7.295 -4.489 1.00 0.00 S ATOM 955 CE MET A 66 -4.476 -6.734 -3.286 1.00 0.00 C ATOM 0 H MET A 66 0.461 -8.622 -4.161 1.00 0.00 H new ATOM 0 HA MET A 66 -0.930 -6.663 -5.984 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.091 -6.462 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.103 -5.429 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.468 -8.422 -3.311 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.159 -7.137 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.437 -6.603 -3.783 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.576 -7.476 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.158 -5.785 -2.855 1.00 0.00 H new ATOM 965 N VAL A 67 2.151 -6.738 -5.839 1.00 0.00 N ATOM 966 CA VAL A 67 3.414 -6.006 -6.192 1.00 0.00 C ATOM 967 C VAL A 67 3.520 -5.732 -7.701 1.00 0.00 C ATOM 968 O VAL A 67 2.842 -6.342 -8.508 1.00 0.00 O ATOM 969 CB VAL A 67 4.554 -6.933 -5.750 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.444 -8.281 -6.474 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.895 -6.287 -6.101 1.00 0.00 C ATOM 0 H VAL A 67 2.227 -7.755 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 67 3.445 -5.032 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 67 4.486 -7.094 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.257 -8.933 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.489 -8.747 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.508 -8.122 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.708 -6.943 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.951 -6.127 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.983 -5.330 -5.587 1.00 0.00 H new ATOM 981 N GLY A 68 4.400 -4.828 -8.077 1.00 0.00 N ATOM 982 CA GLY A 68 4.605 -4.513 -9.522 1.00 0.00 C ATOM 983 C GLY A 68 4.068 -3.120 -9.861 1.00 0.00 C ATOM 984 O GLY A 68 4.364 -2.586 -10.915 1.00 0.00 O ATOM 0 H GLY A 68 4.987 -4.294 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.667 -4.566 -9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.102 -5.260 -10.136 1.00 0.00 H new ATOM 988 N HIS A 69 3.273 -2.527 -9.004 1.00 0.00 N ATOM 989 CA HIS A 69 2.722 -1.181 -9.320 1.00 0.00 C ATOM 990 C HIS A 69 3.194 -0.137 -8.300 1.00 0.00 C ATOM 991 O HIS A 69 4.205 0.504 -8.489 1.00 0.00 O ATOM 992 CB HIS A 69 1.199 -1.354 -9.274 1.00 0.00 C ATOM 993 CG HIS A 69 0.758 -2.240 -10.413 1.00 0.00 C ATOM 994 ND1 HIS A 69 1.140 -3.504 -10.798 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.203 -1.841 -11.329 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.429 -3.884 -11.932 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.366 -2.846 -12.210 1.00 0.00 N flip ATOM 0 H HIS A 69 2.986 -2.917 -8.106 1.00 0.00 H new ATOM 0 HA HIS A 69 3.060 -0.821 -10.292 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.901 -1.793 -8.322 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.710 -0.383 -9.345 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.726 -0.896 -11.335 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.503 -4.817 -12.471 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.017 -2.819 -12.995 1.00 0.00 H new ATOM 1005 N LYS A 70 2.452 0.044 -7.235 1.00 0.00 N ATOM 1006 CA LYS A 70 2.812 1.049 -6.180 1.00 0.00 C ATOM 1007 C LYS A 70 1.719 1.062 -5.099 1.00 0.00 C ATOM 1008 O LYS A 70 1.963 1.319 -3.935 1.00 0.00 O ATOM 1009 CB LYS A 70 2.885 2.403 -6.903 1.00 0.00 C ATOM 1010 CG LYS A 70 1.477 2.875 -7.244 1.00 0.00 C ATOM 1011 CD LYS A 70 0.965 2.158 -8.499 1.00 0.00 C ATOM 1012 CE LYS A 70 0.170 3.140 -9.367 1.00 0.00 C ATOM 1013 NZ LYS A 70 1.164 3.714 -10.319 1.00 0.00 N ATOM 0 H LYS A 70 1.593 -0.473 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 70 3.757 0.819 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.383 3.138 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.479 2.310 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.808 2.679 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.477 3.953 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.803 1.753 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.335 1.315 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.636 2.633 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.289 3.920 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.691 4.396 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.916 4.197 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.580 2.950 -10.889 1.00 0.00 H new ATOM 1027 N LEU A 71 0.512 0.789 -5.527 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.691 0.771 -4.631 1.00 0.00 C ATOM 1029 C LEU A 71 -1.977 0.473 -5.447 1.00 0.00 C ATOM 1030 O LEU A 71 -2.992 0.102 -4.887 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.772 2.176 -4.006 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.275 3.192 -5.040 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.783 3.400 -4.869 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.551 4.526 -4.837 1.00 0.00 C ATOM 0 H LEU A 71 0.301 0.569 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.607 -0.005 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.442 2.161 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.210 2.476 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.074 2.815 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.136 4.122 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.300 2.451 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.987 3.775 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.907 5.249 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.751 4.900 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.522 4.380 -4.962 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.945 0.636 -6.762 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.157 0.369 -7.602 1.00 0.00 C ATOM 1048 C GLY A 72 -3.441 -1.138 -7.669 1.00 0.00 C ATOM 1049 O GLY A 72 -4.527 -1.551 -8.022 1.00 0.00 O ATOM 0 H GLY A 72 -1.124 0.944 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.019 0.890 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.004 0.762 -8.607 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.487 -1.957 -7.301 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.711 -3.436 -7.305 1.00 0.00 C ATOM 1055 C GLU A 73 -3.509 -3.805 -6.061 1.00 0.00 C ATOM 1056 O GLU A 73 -4.163 -4.828 -5.999 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.318 -4.061 -7.230 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.724 -4.163 -8.630 1.00 0.00 C ATOM 1059 CD GLU A 73 -0.910 -5.584 -9.167 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.072 -6.421 -8.874 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -1.887 -5.810 -9.862 1.00 0.00 O ATOM 0 H GLU A 73 -1.559 -1.664 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.255 -3.778 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.672 -3.457 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.377 -5.050 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.208 -3.447 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.336 -3.909 -8.605 1.00 0.00 H new