USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 894 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 -107:sc=-0.00415 (180deg=-0.0892) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0194 (180deg=-0.371) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00433 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.677 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.714 USER MOD Single : A 22 GLN : amide:sc= -3.52 K(o=-3.5,f=-4.2!) USER MOD Single : A 23 ASN : amide:sc= -1.59! K(o=-1.6!,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.131 (180deg=-0.702) USER MOD Single : A 30 ASN : amide:sc= -0.255 K(o=-0.25,f=-2.5!) USER MOD Single : A 32 SER OG : rot -170:sc= -0.474 USER MOD Single : A 33 MET CE :methyl 150:sc= -0.546 (180deg=-1.35) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0993 USER MOD Single : A 43 MET CE :methyl -146:sc= -0.235 (180deg=-1.78!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 50 SER OG : rot -48:sc= 0.936 USER MOD Single : A 53 ASN : amide:sc= -1.39 K(o=-1.4,f=0.48) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0833) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.052 K(o=-0.052,f=-2.4!) USER MOD Single : A 66 MET CE :methyl -164:sc= -0.575 (180deg=-1.32) USER MOD Single : A 68 SER OG : rot 70:sc= 0.987 USER MOD Single : A 73 HIS : no HE2:sc= -7.04! C(o=-7!,f=-11!) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.598 (180deg=-1.24) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 79 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -30:sc= 0.814 USER MOD Single : A 84 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.41 X(o=-4.4,f=-4.4!) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc=-0.00631 (180deg=-0.105) USER MOD Single : A 105 LYS NZ :NH3+ 157:sc= -0.0787 (180deg=-0.499) USER MOD Single : A 113 ASN : amide:sc= -0.653 K(o=-0.65,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.747 9.196 13.147 1.00 0.00 N ATOM 2 CA MET A 1 23.109 8.263 12.179 1.00 0.00 C ATOM 3 C MET A 1 21.694 8.743 11.864 1.00 0.00 C ATOM 4 O MET A 1 20.798 8.647 12.679 1.00 0.00 O ATOM 5 CB MET A 1 23.044 6.866 12.793 1.00 0.00 C ATOM 6 CG MET A 1 24.456 6.289 12.891 1.00 0.00 C ATOM 7 SD MET A 1 24.401 4.664 13.692 1.00 0.00 S ATOM 8 CE MET A 1 24.340 5.243 15.409 1.00 0.00 C ATOM 0 H1 MET A 1 24.779 9.073 13.119 1.00 0.00 H new ATOM 0 H2 MET A 1 23.509 10.176 12.893 1.00 0.00 H new ATOM 0 H3 MET A 1 23.400 8.992 14.106 1.00 0.00 H new ATOM 0 HA MET A 1 23.696 8.234 11.261 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.589 6.912 13.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.416 6.217 12.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.892 6.200 11.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.096 6.964 13.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.302 5.061 15.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.123 6.311 15.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.559 4.706 15.947 1.00 0.00 H new ATOM 20 N GLY A 2 21.485 9.257 10.685 1.00 0.00 N ATOM 21 CA GLY A 2 20.127 9.738 10.314 1.00 0.00 C ATOM 22 C GLY A 2 19.223 8.532 10.028 1.00 0.00 C ATOM 23 O GLY A 2 19.684 7.409 9.970 1.00 0.00 O ATOM 0 H GLY A 2 22.197 9.365 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 2 19.708 10.338 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 2 20.184 10.381 9.436 1.00 0.00 H new ATOM 27 N PRO A 3 17.941 8.759 9.853 1.00 0.00 N ATOM 28 CA PRO A 3 16.990 7.645 9.574 1.00 0.00 C ATOM 29 C PRO A 3 17.467 6.751 8.418 1.00 0.00 C ATOM 30 O PRO A 3 18.573 6.884 7.934 1.00 0.00 O ATOM 31 CB PRO A 3 15.689 8.396 9.216 1.00 0.00 C ATOM 32 CG PRO A 3 15.906 9.906 9.462 1.00 0.00 C ATOM 33 CD PRO A 3 17.361 10.128 9.917 1.00 0.00 C ATOM 0 HA PRO A 3 16.879 6.958 10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.424 8.217 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.861 8.029 9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.705 10.470 8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.213 10.269 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.888 10.821 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.411 10.541 10.924 1.00 0.00 H new ATOM 41 N VAL A 4 16.638 5.842 7.978 1.00 0.00 N ATOM 42 CA VAL A 4 17.039 4.942 6.862 1.00 0.00 C ATOM 43 C VAL A 4 16.854 5.690 5.521 1.00 0.00 C ATOM 44 O VAL A 4 15.889 6.410 5.358 1.00 0.00 O ATOM 45 CB VAL A 4 16.151 3.692 6.892 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.495 2.862 8.131 1.00 0.00 C ATOM 47 CG2 VAL A 4 14.673 4.095 6.954 1.00 0.00 C ATOM 0 H VAL A 4 15.699 5.685 8.345 1.00 0.00 H new ATOM 0 HA VAL A 4 18.083 4.647 6.968 1.00 0.00 H new ATOM 0 HB VAL A 4 16.325 3.109 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.867 1.972 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.543 2.566 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.320 3.457 9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.052 3.199 6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.493 4.682 7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.421 4.691 6.077 1.00 0.00 H new ATOM 57 N PRO A 5 17.751 5.547 4.556 1.00 0.00 N ATOM 58 CA PRO A 5 17.575 6.266 3.261 1.00 0.00 C ATOM 59 C PRO A 5 16.252 5.887 2.562 1.00 0.00 C ATOM 60 O PRO A 5 15.610 4.924 2.932 1.00 0.00 O ATOM 61 CB PRO A 5 18.801 5.812 2.439 1.00 0.00 C ATOM 62 CG PRO A 5 19.630 4.828 3.290 1.00 0.00 C ATOM 63 CD PRO A 5 18.970 4.694 4.677 1.00 0.00 C ATOM 0 HA PRO A 5 17.517 7.347 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.480 5.334 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.408 6.673 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.681 3.855 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.654 5.187 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.716 3.659 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.629 5.043 5.472 1.00 0.00 H new ATOM 71 N PRO A 6 15.846 6.640 1.563 1.00 0.00 N ATOM 72 CA PRO A 6 14.576 6.345 0.836 1.00 0.00 C ATOM 73 C PRO A 6 14.646 5.035 0.038 1.00 0.00 C ATOM 74 O PRO A 6 13.778 4.191 0.133 1.00 0.00 O ATOM 75 CB PRO A 6 14.448 7.559 -0.104 1.00 0.00 C ATOM 76 CG PRO A 6 15.813 8.264 -0.152 1.00 0.00 C ATOM 77 CD PRO A 6 16.611 7.830 1.087 1.00 0.00 C ATOM 0 HA PRO A 6 13.728 6.207 1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.148 7.239 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.678 8.241 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.348 7.998 -1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.684 9.346 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.642 7.577 0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.649 8.616 1.841 1.00 0.00 H new ATOM 85 N SER A 7 15.664 4.876 -0.760 1.00 0.00 N ATOM 86 CA SER A 7 15.785 3.639 -1.583 1.00 0.00 C ATOM 87 C SER A 7 15.881 2.413 -0.675 1.00 0.00 C ATOM 88 O SER A 7 15.364 1.359 -0.990 1.00 0.00 O ATOM 89 CB SER A 7 17.035 3.727 -2.461 1.00 0.00 C ATOM 90 OG SER A 7 18.195 3.625 -1.646 1.00 0.00 O ATOM 0 H SER A 7 16.420 5.551 -0.879 1.00 0.00 H new ATOM 0 HA SER A 7 14.902 3.545 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.028 2.929 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.043 4.670 -3.007 1.00 0.00 H new ATOM 0 HG SER A 7 18.996 3.680 -2.208 1.00 0.00 H new ATOM 96 N THR A 8 16.538 2.530 0.446 1.00 0.00 N ATOM 97 CA THR A 8 16.655 1.351 1.353 1.00 0.00 C ATOM 98 C THR A 8 15.294 1.037 1.979 1.00 0.00 C ATOM 99 O THR A 8 14.906 -0.109 2.090 1.00 0.00 O ATOM 100 CB THR A 8 17.675 1.644 2.455 1.00 0.00 C ATOM 101 OG1 THR A 8 18.941 1.895 1.862 1.00 0.00 O ATOM 102 CG2 THR A 8 17.775 0.443 3.394 1.00 0.00 C ATOM 0 H THR A 8 16.995 3.382 0.772 1.00 0.00 H new ATOM 0 HA THR A 8 16.989 0.490 0.775 1.00 0.00 H new ATOM 0 HB THR A 8 17.359 2.517 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.651 1.618 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.502 0.654 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.801 0.251 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.093 -0.434 2.830 1.00 0.00 H new ATOM 110 N ALA A 9 14.560 2.038 2.380 1.00 0.00 N ATOM 111 CA ALA A 9 13.225 1.778 2.986 1.00 0.00 C ATOM 112 C ALA A 9 12.344 1.082 1.954 1.00 0.00 C ATOM 113 O ALA A 9 11.620 0.157 2.261 1.00 0.00 O ATOM 114 CB ALA A 9 12.580 3.103 3.398 1.00 0.00 C ATOM 0 H ALA A 9 14.826 3.021 2.315 1.00 0.00 H new ATOM 0 HA ALA A 9 13.336 1.146 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.603 2.910 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.216 3.606 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.461 3.738 2.520 1.00 0.00 H new ATOM 120 N LEU A 10 12.406 1.515 0.727 1.00 0.00 N ATOM 121 CA LEU A 10 11.579 0.868 -0.321 1.00 0.00 C ATOM 122 C LEU A 10 11.992 -0.603 -0.411 1.00 0.00 C ATOM 123 O LEU A 10 11.161 -1.488 -0.465 1.00 0.00 O ATOM 124 CB LEU A 10 11.818 1.558 -1.667 1.00 0.00 C ATOM 125 CG LEU A 10 10.920 0.930 -2.747 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.446 1.298 -2.500 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.361 1.442 -4.120 1.00 0.00 C ATOM 0 H LEU A 10 12.992 2.286 0.408 1.00 0.00 H new ATOM 0 HA LEU A 10 10.521 0.948 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.607 2.624 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.866 1.463 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 10 11.015 -0.155 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.824 0.846 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.137 0.927 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.332 2.382 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.730 1.002 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.268 2.528 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.399 1.161 -4.297 1.00 0.00 H new ATOM 139 N ARG A 11 13.274 -0.874 -0.417 1.00 0.00 N ATOM 140 CA ARG A 11 13.726 -2.292 -0.493 1.00 0.00 C ATOM 141 C ARG A 11 13.173 -3.040 0.713 1.00 0.00 C ATOM 142 O ARG A 11 12.663 -4.137 0.602 1.00 0.00 O ATOM 143 CB ARG A 11 15.257 -2.359 -0.445 1.00 0.00 C ATOM 144 CG ARG A 11 15.868 -1.821 -1.742 1.00 0.00 C ATOM 145 CD ARG A 11 17.392 -1.774 -1.586 1.00 0.00 C ATOM 146 NE ARG A 11 18.032 -1.583 -2.918 1.00 0.00 N ATOM 147 CZ ARG A 11 19.284 -1.220 -2.992 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.957 -0.978 -1.901 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.862 -1.095 -4.155 1.00 0.00 N ATOM 0 H ARG A 11 14.019 -0.179 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 11 13.372 -2.736 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.624 -1.780 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.575 -3.390 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.594 -2.459 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.480 -0.826 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.673 -0.960 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.748 -2.698 -1.131 1.00 0.00 H new ATOM 0 HE ARG A 11 17.493 -1.736 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.505 -1.072 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.935 -0.694 -1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.336 -1.281 -5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.840 -0.811 -4.210 1.00 0.00 H new ATOM 163 N GLU A 12 13.260 -2.443 1.866 1.00 0.00 N ATOM 164 CA GLU A 12 12.732 -3.103 3.086 1.00 0.00 C ATOM 165 C GLU A 12 11.233 -3.328 2.919 1.00 0.00 C ATOM 166 O GLU A 12 10.697 -4.345 3.312 1.00 0.00 O ATOM 167 CB GLU A 12 12.988 -2.213 4.303 1.00 0.00 C ATOM 168 CG GLU A 12 14.487 -2.190 4.606 1.00 0.00 C ATOM 169 CD GLU A 12 14.750 -1.303 5.824 1.00 0.00 C ATOM 170 OE1 GLU A 12 13.797 -0.749 6.345 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.900 -1.195 6.216 1.00 0.00 O ATOM 0 H GLU A 12 13.676 -1.524 2.015 1.00 0.00 H new ATOM 0 HA GLU A 12 13.233 -4.060 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.629 -1.202 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.437 -2.589 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.846 -3.202 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.037 -1.813 3.744 1.00 0.00 H new ATOM 178 N LEU A 13 10.552 -2.373 2.351 1.00 0.00 N ATOM 179 CA LEU A 13 9.082 -2.506 2.163 1.00 0.00 C ATOM 180 C LEU A 13 8.771 -3.578 1.108 1.00 0.00 C ATOM 181 O LEU A 13 7.913 -4.411 1.301 1.00 0.00 O ATOM 182 CB LEU A 13 8.529 -1.146 1.711 1.00 0.00 C ATOM 183 CG LEU A 13 7.014 -1.228 1.464 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.287 -1.643 2.752 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.512 0.149 1.013 1.00 0.00 C ATOM 0 H LEU A 13 10.954 -1.501 2.007 1.00 0.00 H new ATOM 0 HA LEU A 13 8.616 -2.809 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.738 -0.393 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.034 -0.828 0.799 1.00 0.00 H new ATOM 0 HG LEU A 13 6.812 -1.972 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.215 -1.697 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.648 -2.619 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.481 -0.907 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.438 0.104 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.720 0.885 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.021 0.439 0.094 1.00 0.00 H new ATOM 197 N ILE A 14 9.446 -3.560 -0.011 1.00 0.00 N ATOM 198 CA ILE A 14 9.160 -4.580 -1.068 1.00 0.00 C ATOM 199 C ILE A 14 9.460 -5.996 -0.558 1.00 0.00 C ATOM 200 O ILE A 14 8.662 -6.900 -0.707 1.00 0.00 O ATOM 201 CB ILE A 14 10.025 -4.289 -2.304 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.554 -2.984 -2.950 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.896 -5.429 -3.325 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.555 -2.555 -4.023 1.00 0.00 C ATOM 0 H ILE A 14 10.179 -2.889 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 14 8.103 -4.522 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 14 11.067 -4.203 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.567 -3.120 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.460 -2.205 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.514 -5.209 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.227 -6.363 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.855 -5.525 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.219 -1.626 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.533 -2.402 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.627 -3.331 -4.785 1.00 0.00 H new ATOM 216 N GLU A 15 10.617 -6.206 0.005 1.00 0.00 N ATOM 217 CA GLU A 15 10.985 -7.572 0.478 1.00 0.00 C ATOM 218 C GLU A 15 10.003 -8.070 1.543 1.00 0.00 C ATOM 219 O GLU A 15 9.629 -9.228 1.555 1.00 0.00 O ATOM 220 CB GLU A 15 12.403 -7.526 1.051 1.00 0.00 C ATOM 221 CG GLU A 15 13.392 -7.315 -0.099 1.00 0.00 C ATOM 222 CD GLU A 15 14.801 -7.104 0.455 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.964 -7.195 1.660 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.696 -6.858 -0.337 1.00 0.00 O ATOM 0 H GLU A 15 11.326 -5.489 0.159 1.00 0.00 H new ATOM 0 HA GLU A 15 10.941 -8.265 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.491 -6.718 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.628 -8.454 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.379 -8.179 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.093 -6.451 -0.693 1.00 0.00 H new ATOM 231 N GLU A 16 9.586 -7.224 2.441 1.00 0.00 N ATOM 232 CA GLU A 16 8.638 -7.683 3.495 1.00 0.00 C ATOM 233 C GLU A 16 7.265 -7.963 2.878 1.00 0.00 C ATOM 234 O GLU A 16 6.615 -8.930 3.218 1.00 0.00 O ATOM 235 CB GLU A 16 8.512 -6.608 4.574 1.00 0.00 C ATOM 236 CG GLU A 16 7.670 -7.138 5.741 1.00 0.00 C ATOM 237 CD GLU A 16 7.582 -6.069 6.833 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.229 -5.045 6.685 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.869 -6.292 7.797 1.00 0.00 O ATOM 0 H GLU A 16 9.857 -6.242 2.492 1.00 0.00 H new ATOM 0 HA GLU A 16 9.018 -8.601 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.501 -6.319 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.049 -5.714 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.671 -7.401 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.117 -8.047 6.143 1.00 0.00 H new ATOM 246 N LEU A 17 6.817 -7.135 1.969 1.00 0.00 N ATOM 247 CA LEU A 17 5.487 -7.386 1.342 1.00 0.00 C ATOM 248 C LEU A 17 5.502 -8.735 0.616 1.00 0.00 C ATOM 249 O LEU A 17 4.590 -9.522 0.734 1.00 0.00 O ATOM 250 CB LEU A 17 5.155 -6.273 0.336 1.00 0.00 C ATOM 251 CG LEU A 17 4.861 -4.956 1.074 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.772 -3.816 0.053 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.531 -5.061 1.852 1.00 0.00 C ATOM 0 H LEU A 17 7.309 -6.305 1.638 1.00 0.00 H new ATOM 0 HA LEU A 17 4.729 -7.399 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.990 -6.134 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.292 -6.562 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 17 5.665 -4.757 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.564 -2.880 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.718 -3.732 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.971 -4.025 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.337 -4.121 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.718 -5.267 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.599 -5.869 2.581 1.00 0.00 H new ATOM 265 N VAL A 18 6.526 -9.002 -0.143 1.00 0.00 N ATOM 266 CA VAL A 18 6.586 -10.293 -0.893 1.00 0.00 C ATOM 267 C VAL A 18 6.592 -11.488 0.076 1.00 0.00 C ATOM 268 O VAL A 18 5.916 -12.472 -0.141 1.00 0.00 O ATOM 269 CB VAL A 18 7.865 -10.316 -1.737 1.00 0.00 C ATOM 270 CG1 VAL A 18 8.052 -11.701 -2.365 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.766 -9.265 -2.844 1.00 0.00 C ATOM 0 H VAL A 18 7.326 -8.384 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 18 5.707 -10.373 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 18 8.719 -10.094 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.963 -11.709 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.128 -12.450 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.198 -11.930 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.676 -9.282 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.908 -9.485 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.643 -8.278 -2.399 1.00 0.00 H new ATOM 281 N ASN A 19 7.373 -11.427 1.119 1.00 0.00 N ATOM 282 CA ASN A 19 7.446 -12.577 2.073 1.00 0.00 C ATOM 283 C ASN A 19 6.080 -12.888 2.697 1.00 0.00 C ATOM 284 O ASN A 19 5.707 -14.034 2.837 1.00 0.00 O ATOM 285 CB ASN A 19 8.429 -12.244 3.199 1.00 0.00 C ATOM 286 CG ASN A 19 8.502 -13.426 4.173 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.664 -14.557 3.759 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.382 -13.213 5.455 1.00 0.00 N ATOM 0 H ASN A 19 7.966 -10.631 1.355 1.00 0.00 H new ATOM 0 HA ASN A 19 7.778 -13.450 1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.416 -12.036 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.108 -11.344 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.424 -13.995 6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.246 -12.264 5.804 1.00 0.00 H new ATOM 295 N ILE A 20 5.351 -11.891 3.116 1.00 0.00 N ATOM 296 CA ILE A 20 4.038 -12.161 3.779 1.00 0.00 C ATOM 297 C ILE A 20 2.944 -12.540 2.770 1.00 0.00 C ATOM 298 O ILE A 20 1.934 -13.102 3.146 1.00 0.00 O ATOM 299 CB ILE A 20 3.593 -10.927 4.578 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.386 -9.730 3.643 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.660 -10.574 5.615 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.799 -8.565 4.439 1.00 0.00 C ATOM 0 H ILE A 20 5.603 -10.906 3.030 1.00 0.00 H new ATOM 0 HA ILE A 20 4.181 -13.010 4.447 1.00 0.00 H new ATOM 0 HB ILE A 20 2.652 -11.157 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.334 -9.437 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.716 -10.002 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.342 -9.698 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.799 -11.414 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.601 -10.357 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.650 -7.711 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.842 -8.863 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.485 -8.289 5.239 1.00 0.00 H new ATOM 314 N THR A 21 3.105 -12.223 1.505 1.00 0.00 N ATOM 315 CA THR A 21 2.028 -12.558 0.508 1.00 0.00 C ATOM 316 C THR A 21 2.360 -13.836 -0.271 1.00 0.00 C ATOM 317 O THR A 21 1.498 -14.421 -0.894 1.00 0.00 O ATOM 318 CB THR A 21 1.859 -11.396 -0.479 1.00 0.00 C ATOM 319 OG1 THR A 21 3.093 -11.156 -1.143 1.00 0.00 O ATOM 320 CG2 THR A 21 1.417 -10.127 0.266 1.00 0.00 C ATOM 0 H THR A 21 3.924 -11.752 1.121 1.00 0.00 H new ATOM 0 HA THR A 21 1.102 -12.723 1.059 1.00 0.00 H new ATOM 0 HB THR A 21 1.095 -11.658 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.668 -10.603 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.301 -9.309 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.466 -10.311 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.170 -9.859 1.007 1.00 0.00 H new ATOM 328 N GLN A 22 3.580 -14.288 -0.253 1.00 0.00 N ATOM 329 CA GLN A 22 3.904 -15.539 -1.004 1.00 0.00 C ATOM 330 C GLN A 22 3.448 -16.763 -0.201 1.00 0.00 C ATOM 331 O GLN A 22 3.116 -17.791 -0.757 1.00 0.00 O ATOM 332 CB GLN A 22 5.410 -15.622 -1.272 1.00 0.00 C ATOM 333 CG GLN A 22 5.781 -14.648 -2.394 1.00 0.00 C ATOM 334 CD GLN A 22 7.298 -14.638 -2.588 1.00 0.00 C ATOM 335 OE1 GLN A 22 8.037 -15.026 -1.707 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.794 -14.210 -3.717 1.00 0.00 N ATOM 0 H GLN A 22 4.361 -13.856 0.241 1.00 0.00 H new ATOM 0 HA GLN A 22 3.378 -15.522 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.966 -15.379 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.685 -16.639 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.288 -14.941 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.429 -13.646 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.172 -13.884 -4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.804 -14.201 -3.860 1.00 0.00 H new ATOM 345 N ASN A 23 3.443 -16.669 1.105 1.00 0.00 N ATOM 346 CA ASN A 23 3.023 -17.837 1.943 1.00 0.00 C ATOM 347 C ASN A 23 1.537 -17.729 2.323 1.00 0.00 C ATOM 348 O ASN A 23 1.001 -18.604 2.972 1.00 0.00 O ATOM 349 CB ASN A 23 3.871 -17.871 3.218 1.00 0.00 C ATOM 350 CG ASN A 23 5.333 -18.162 2.857 1.00 0.00 C ATOM 351 OD1 ASN A 23 6.216 -18.015 3.679 1.00 0.00 O ATOM 352 ND2 ASN A 23 5.628 -18.571 1.651 1.00 0.00 N ATOM 0 H ASN A 23 3.711 -15.835 1.628 1.00 0.00 H new ATOM 0 HA ASN A 23 3.169 -18.752 1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.798 -16.917 3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.494 -18.636 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.598 -18.766 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.889 -18.695 0.959 1.00 0.00 H new ATOM 359 N GLN A 24 0.858 -16.675 1.936 1.00 0.00 N ATOM 360 CA GLN A 24 -0.591 -16.561 2.303 1.00 0.00 C ATOM 361 C GLN A 24 -1.440 -17.325 1.284 1.00 0.00 C ATOM 362 O GLN A 24 -1.293 -17.155 0.090 1.00 0.00 O ATOM 363 CB GLN A 24 -1.024 -15.076 2.342 1.00 0.00 C ATOM 364 CG GLN A 24 -1.302 -14.541 0.927 1.00 0.00 C ATOM 365 CD GLN A 24 -1.534 -13.030 0.985 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.059 -12.364 1.882 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.249 -12.457 0.055 1.00 0.00 N ATOM 0 H GLN A 24 1.236 -15.900 1.391 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.739 -16.991 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.919 -14.971 2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.243 -14.479 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.461 -14.765 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.176 -15.037 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.648 -13.016 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.408 -11.450 0.082 1.00 0.00 H new ATOM 376 N LYS A 25 -2.346 -18.141 1.744 1.00 0.00 N ATOM 377 CA LYS A 25 -3.226 -18.888 0.802 1.00 0.00 C ATOM 378 C LYS A 25 -4.442 -18.015 0.492 1.00 0.00 C ATOM 379 O LYS A 25 -4.514 -17.366 -0.534 1.00 0.00 O ATOM 380 CB LYS A 25 -3.678 -20.197 1.462 1.00 0.00 C ATOM 381 CG LYS A 25 -4.642 -20.970 0.544 1.00 0.00 C ATOM 382 CD LYS A 25 -3.963 -21.317 -0.787 1.00 0.00 C ATOM 383 CE LYS A 25 -4.758 -22.417 -1.495 1.00 0.00 C ATOM 384 NZ LYS A 25 -4.636 -23.688 -0.729 1.00 0.00 N ATOM 0 H LYS A 25 -2.516 -18.324 2.733 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.691 -19.123 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.809 -20.815 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.168 -19.980 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.970 -21.884 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.533 -20.371 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.905 -20.431 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.940 -21.650 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.806 -22.128 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.385 -22.554 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.736 -24.495 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.705 -23.728 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.382 -23.730 -0.006 1.00 0.00 H new ATOM 398 N ALA A 26 -5.393 -17.983 1.386 1.00 0.00 N ATOM 399 CA ALA A 26 -6.603 -17.144 1.169 1.00 0.00 C ATOM 400 C ALA A 26 -6.256 -15.681 1.515 1.00 0.00 C ATOM 401 O ALA A 26 -5.329 -15.427 2.257 1.00 0.00 O ATOM 402 CB ALA A 26 -7.733 -17.657 2.086 1.00 0.00 C ATOM 0 H ALA A 26 -5.382 -18.506 2.262 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.932 -17.200 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.626 -17.050 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.955 -18.696 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.417 -17.587 3.127 1.00 0.00 H new ATOM 408 N PRO A 27 -6.992 -14.723 0.999 1.00 0.00 N ATOM 409 CA PRO A 27 -6.712 -13.295 1.309 1.00 0.00 C ATOM 410 C PRO A 27 -6.426 -13.085 2.807 1.00 0.00 C ATOM 411 O PRO A 27 -6.939 -13.794 3.649 1.00 0.00 O ATOM 412 CB PRO A 27 -8.015 -12.605 0.862 1.00 0.00 C ATOM 413 CG PRO A 27 -8.826 -13.608 0.009 1.00 0.00 C ATOM 414 CD PRO A 27 -8.136 -14.985 0.084 1.00 0.00 C ATOM 0 HA PRO A 27 -5.825 -12.902 0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.594 -12.289 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.791 -11.708 0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.850 -13.677 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.881 -13.268 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.803 -15.752 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.802 -15.325 -0.896 1.00 0.00 H new ATOM 422 N LEU A 28 -5.598 -12.131 3.142 1.00 0.00 N ATOM 423 CA LEU A 28 -5.267 -11.903 4.581 1.00 0.00 C ATOM 424 C LEU A 28 -6.532 -11.545 5.364 1.00 0.00 C ATOM 425 O LEU A 28 -6.821 -12.124 6.392 1.00 0.00 O ATOM 426 CB LEU A 28 -4.267 -10.748 4.688 1.00 0.00 C ATOM 427 CG LEU A 28 -2.957 -11.120 3.975 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.063 -9.879 3.883 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.220 -12.228 4.749 1.00 0.00 C ATOM 0 H LEU A 28 -5.138 -11.501 2.485 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.836 -12.814 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.690 -9.847 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.069 -10.523 5.736 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.189 -11.486 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.132 -10.138 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.578 -9.101 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.842 -9.514 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.295 -12.480 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.989 -11.877 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.854 -13.113 4.810 1.00 0.00 H new ATOM 441 N CYS A 29 -7.291 -10.599 4.888 1.00 0.00 N ATOM 442 CA CYS A 29 -8.538 -10.210 5.609 1.00 0.00 C ATOM 443 C CYS A 29 -9.673 -11.150 5.202 1.00 0.00 C ATOM 444 O CYS A 29 -9.529 -11.961 4.309 1.00 0.00 O ATOM 445 CB CYS A 29 -8.909 -8.773 5.250 1.00 0.00 C ATOM 446 SG CYS A 29 -7.610 -7.650 5.826 1.00 0.00 S ATOM 0 H CYS A 29 -7.104 -10.078 4.032 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.375 -10.282 6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.035 -8.678 4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.862 -8.508 5.707 1.00 0.00 H new ATOM 451 N ASN A 30 -10.803 -11.049 5.848 1.00 0.00 N ATOM 452 CA ASN A 30 -11.943 -11.938 5.490 1.00 0.00 C ATOM 453 C ASN A 30 -12.493 -11.549 4.116 1.00 0.00 C ATOM 454 O ASN A 30 -13.665 -11.267 3.964 1.00 0.00 O ATOM 455 CB ASN A 30 -13.049 -11.802 6.536 1.00 0.00 C ATOM 456 CG ASN A 30 -14.101 -12.885 6.300 1.00 0.00 C ATOM 457 OD1 ASN A 30 -13.864 -13.827 5.570 1.00 0.00 O ATOM 458 ND2 ASN A 30 -15.259 -12.792 6.889 1.00 0.00 N ATOM 0 H ASN A 30 -10.985 -10.391 6.606 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.594 -12.970 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.631 -11.896 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.506 -10.814 6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.967 -13.510 6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.457 -12.001 7.502 1.00 0.00 H new ATOM 465 N GLY A 31 -11.661 -11.540 3.111 1.00 0.00 N ATOM 466 CA GLY A 31 -12.146 -11.176 1.749 1.00 0.00 C ATOM 467 C GLY A 31 -12.435 -9.674 1.686 1.00 0.00 C ATOM 468 O GLY A 31 -13.174 -9.213 0.838 1.00 0.00 O ATOM 0 H GLY A 31 -10.669 -11.768 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.398 -11.443 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.048 -11.740 1.512 1.00 0.00 H new ATOM 472 N SER A 32 -11.861 -8.903 2.570 1.00 0.00 N ATOM 473 CA SER A 32 -12.116 -7.435 2.544 1.00 0.00 C ATOM 474 C SER A 32 -11.661 -6.872 1.199 1.00 0.00 C ATOM 475 O SER A 32 -10.678 -7.309 0.631 1.00 0.00 O ATOM 476 CB SER A 32 -11.342 -6.748 3.667 1.00 0.00 C ATOM 477 OG SER A 32 -11.717 -7.319 4.913 1.00 0.00 O ATOM 0 H SER A 32 -11.230 -9.224 3.305 1.00 0.00 H new ATOM 0 HA SER A 32 -13.182 -7.253 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.270 -6.864 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.551 -5.678 3.667 1.00 0.00 H new ATOM 0 HG SER A 32 -11.347 -6.781 5.644 1.00 0.00 H new ATOM 483 N MET A 33 -12.383 -5.910 0.684 1.00 0.00 N ATOM 484 CA MET A 33 -12.025 -5.302 -0.635 1.00 0.00 C ATOM 485 C MET A 33 -11.628 -3.838 -0.424 1.00 0.00 C ATOM 486 O MET A 33 -11.964 -3.240 0.578 1.00 0.00 O ATOM 487 CB MET A 33 -13.246 -5.379 -1.552 1.00 0.00 C ATOM 488 CG MET A 33 -13.646 -6.845 -1.722 1.00 0.00 C ATOM 489 SD MET A 33 -15.085 -6.960 -2.812 1.00 0.00 S ATOM 490 CE MET A 33 -14.259 -6.479 -4.351 1.00 0.00 C ATOM 0 H MET A 33 -13.214 -5.515 1.125 1.00 0.00 H new ATOM 0 HA MET A 33 -11.189 -5.838 -1.085 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.073 -4.809 -1.127 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.018 -4.936 -2.521 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.815 -7.413 -2.140 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.876 -7.284 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.751 -6.964 -5.195 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.315 -5.397 -4.471 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.214 -6.786 -4.314 1.00 0.00 H new ATOM 500 N VAL A 34 -10.907 -3.255 -1.355 1.00 0.00 N ATOM 501 CA VAL A 34 -10.480 -1.822 -1.208 1.00 0.00 C ATOM 502 C VAL A 34 -10.797 -1.049 -2.490 1.00 0.00 C ATOM 503 O VAL A 34 -11.042 -1.626 -3.530 1.00 0.00 O ATOM 504 CB VAL A 34 -8.978 -1.765 -0.927 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.723 -2.183 0.522 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.240 -2.723 -1.867 1.00 0.00 C ATOM 0 H VAL A 34 -10.595 -3.710 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.022 -1.368 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.616 -0.750 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.654 -2.145 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.247 -1.504 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.086 -3.199 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.170 -2.680 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.599 -3.739 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.425 -2.433 -2.901 1.00 0.00 H new ATOM 516 N TRP A 35 -10.810 0.257 -2.419 1.00 0.00 N ATOM 517 CA TRP A 35 -11.130 1.071 -3.628 1.00 0.00 C ATOM 518 C TRP A 35 -9.968 1.039 -4.613 1.00 0.00 C ATOM 519 O TRP A 35 -8.830 1.271 -4.254 1.00 0.00 O ATOM 520 CB TRP A 35 -11.356 2.529 -3.229 1.00 0.00 C ATOM 521 CG TRP A 35 -12.597 2.653 -2.413 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.639 2.633 -1.062 1.00 0.00 C ATOM 523 CD2 TRP A 35 -13.972 2.824 -2.865 1.00 0.00 C ATOM 524 NE1 TRP A 35 -13.951 2.776 -0.654 1.00 0.00 N ATOM 525 CE2 TRP A 35 -14.811 2.898 -1.729 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.569 2.920 -4.138 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.192 3.060 -1.848 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -15.961 3.084 -4.260 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.769 3.152 -3.117 1.00 0.00 C ATOM 0 H TRP A 35 -10.613 0.795 -1.575 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.026 0.652 -4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.501 2.895 -2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.435 3.150 -4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -11.786 2.523 -0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.249 2.790 0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.955 2.867 -5.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -16.811 3.114 -0.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.409 3.158 -5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.837 3.275 -3.217 1.00 0.00 H new ATOM 540 N SER A 36 -10.246 0.798 -5.861 1.00 0.00 N ATOM 541 CA SER A 36 -9.154 0.807 -6.864 1.00 0.00 C ATOM 542 C SER A 36 -8.711 2.255 -7.054 1.00 0.00 C ATOM 543 O SER A 36 -9.516 3.163 -7.007 1.00 0.00 O ATOM 544 CB SER A 36 -9.654 0.236 -8.189 1.00 0.00 C ATOM 545 OG SER A 36 -8.597 0.271 -9.138 1.00 0.00 O ATOM 0 H SER A 36 -11.177 0.597 -6.227 1.00 0.00 H new ATOM 0 HA SER A 36 -8.320 0.194 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.001 -0.788 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.504 0.814 -8.551 1.00 0.00 H new ATOM 0 HG SER A 36 -8.911 -0.096 -9.991 1.00 0.00 H new ATOM 551 N ILE A 37 -7.442 2.483 -7.254 1.00 0.00 N ATOM 552 CA ILE A 37 -6.941 3.881 -7.436 1.00 0.00 C ATOM 553 C ILE A 37 -6.003 3.932 -8.634 1.00 0.00 C ATOM 554 O ILE A 37 -5.578 2.914 -9.146 1.00 0.00 O ATOM 555 CB ILE A 37 -6.162 4.310 -6.189 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.099 3.245 -5.850 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.134 4.466 -5.014 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.008 3.865 -4.972 1.00 0.00 C ATOM 0 H ILE A 37 -6.725 1.759 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.789 4.547 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.665 5.262 -6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.563 2.406 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.661 2.850 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.583 4.771 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.880 5.223 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.631 3.515 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.259 3.110 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.536 4.689 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.452 4.238 -4.049 1.00 0.00 H new ATOM 570 N ASN A 38 -5.651 5.110 -9.065 1.00 0.00 N ATOM 571 CA ASN A 38 -4.708 5.233 -10.208 1.00 0.00 C ATOM 572 C ASN A 38 -3.290 5.225 -9.648 1.00 0.00 C ATOM 573 O ASN A 38 -2.934 6.052 -8.832 1.00 0.00 O ATOM 574 CB ASN A 38 -4.955 6.549 -10.943 1.00 0.00 C ATOM 575 CG ASN A 38 -4.076 6.601 -12.194 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.570 5.589 -12.638 1.00 0.00 O ATOM 577 ND2 ASN A 38 -3.869 7.745 -12.786 1.00 0.00 N ATOM 0 H ASN A 38 -5.977 5.994 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.851 4.408 -10.906 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.006 6.633 -11.219 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.729 7.392 -10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.283 7.789 -13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.293 8.595 -12.415 1.00 0.00 H new ATOM 584 N LEU A 39 -2.479 4.295 -10.061 1.00 0.00 N ATOM 585 CA LEU A 39 -1.093 4.241 -9.527 1.00 0.00 C ATOM 586 C LEU A 39 -0.233 5.267 -10.268 1.00 0.00 C ATOM 587 O LEU A 39 -0.080 5.214 -11.472 1.00 0.00 O ATOM 588 CB LEU A 39 -0.520 2.834 -9.732 1.00 0.00 C ATOM 589 CG LEU A 39 -1.235 1.811 -8.824 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.048 2.174 -7.338 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.734 1.756 -9.167 1.00 0.00 C ATOM 0 H LEU A 39 -2.714 3.573 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.097 4.471 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.631 2.540 -10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.548 2.836 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.792 0.830 -8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.560 1.439 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.015 2.177 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.466 3.163 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.229 1.031 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.178 2.740 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.858 1.458 -10.208 1.00 0.00 H new ATOM 603 N THR A 40 0.326 6.210 -9.553 1.00 0.00 N ATOM 604 CA THR A 40 1.171 7.251 -10.208 1.00 0.00 C ATOM 605 C THR A 40 2.329 7.632 -9.277 1.00 0.00 C ATOM 606 O THR A 40 3.292 6.903 -9.148 1.00 0.00 O ATOM 607 CB THR A 40 0.307 8.484 -10.493 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.410 8.837 -9.318 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.681 8.172 -11.619 1.00 0.00 C ATOM 0 H THR A 40 0.233 6.303 -8.542 1.00 0.00 H new ATOM 0 HA THR A 40 1.579 6.865 -11.142 1.00 0.00 H new ATOM 0 HB THR A 40 0.947 9.313 -10.795 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.962 9.627 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.294 9.051 -11.819 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.132 7.900 -12.520 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.322 7.343 -11.321 1.00 0.00 H new ATOM 617 N ALA A 41 2.240 8.771 -8.627 1.00 0.00 N ATOM 618 CA ALA A 41 3.332 9.215 -7.695 1.00 0.00 C ATOM 619 C ALA A 41 2.811 9.208 -6.256 1.00 0.00 C ATOM 620 O ALA A 41 3.330 8.520 -5.399 1.00 0.00 O ATOM 621 CB ALA A 41 3.767 10.637 -8.061 1.00 0.00 C ATOM 0 H ALA A 41 1.454 9.416 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 41 4.179 8.535 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.559 10.960 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.136 10.652 -9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.916 11.312 -7.972 1.00 0.00 H new ATOM 627 N GLY A 42 1.788 9.974 -5.988 1.00 0.00 N ATOM 628 CA GLY A 42 1.220 10.025 -4.606 1.00 0.00 C ATOM 629 C GLY A 42 0.568 8.682 -4.265 1.00 0.00 C ATOM 630 O GLY A 42 -0.447 8.622 -3.601 1.00 0.00 O ATOM 0 H GLY A 42 1.318 10.570 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.008 10.251 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.484 10.826 -4.534 1.00 0.00 H new ATOM 634 N MET A 43 1.140 7.609 -4.729 1.00 0.00 N ATOM 635 CA MET A 43 0.569 6.262 -4.461 1.00 0.00 C ATOM 636 C MET A 43 0.580 5.958 -2.962 1.00 0.00 C ATOM 637 O MET A 43 -0.334 5.355 -2.440 1.00 0.00 O ATOM 638 CB MET A 43 1.415 5.223 -5.186 1.00 0.00 C ATOM 639 CG MET A 43 1.301 5.456 -6.688 1.00 0.00 C ATOM 640 SD MET A 43 2.143 4.124 -7.578 1.00 0.00 S ATOM 641 CE MET A 43 3.792 4.397 -6.887 1.00 0.00 C ATOM 0 H MET A 43 1.991 7.608 -5.291 1.00 0.00 H new ATOM 0 HA MET A 43 -0.462 6.235 -4.814 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.456 5.297 -4.871 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.077 4.218 -4.933 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.252 5.496 -6.981 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.742 6.418 -6.951 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.545 4.166 -7.641 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.891 5.439 -6.582 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.935 3.750 -6.021 1.00 0.00 H new ATOM 651 N TYR A 44 1.618 6.337 -2.271 1.00 0.00 N ATOM 652 CA TYR A 44 1.690 6.026 -0.816 1.00 0.00 C ATOM 653 C TYR A 44 0.500 6.644 -0.071 1.00 0.00 C ATOM 654 O TYR A 44 -0.177 5.980 0.689 1.00 0.00 O ATOM 655 CB TYR A 44 2.988 6.592 -0.243 1.00 0.00 C ATOM 656 CG TYR A 44 4.171 5.872 -0.854 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.649 4.690 -0.276 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.791 6.391 -1.999 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.745 4.026 -0.842 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.886 5.727 -2.564 1.00 0.00 C ATOM 661 CZ TYR A 44 6.363 4.545 -1.986 1.00 0.00 C ATOM 662 OH TYR A 44 7.444 3.890 -2.544 1.00 0.00 O ATOM 0 H TYR A 44 2.417 6.847 -2.648 1.00 0.00 H new ATOM 0 HA TYR A 44 1.662 4.944 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.053 7.660 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.000 6.476 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.173 4.290 0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.424 7.303 -2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.113 3.114 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.363 6.127 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 44 7.753 4.382 -3.333 1.00 0.00 H new ATOM 672 N CYS A 45 0.237 7.906 -0.277 1.00 0.00 N ATOM 673 CA CYS A 45 -0.914 8.549 0.427 1.00 0.00 C ATOM 674 C CYS A 45 -2.234 8.004 -0.124 1.00 0.00 C ATOM 675 O CYS A 45 -3.138 7.675 0.618 1.00 0.00 O ATOM 676 CB CYS A 45 -0.869 10.062 0.218 1.00 0.00 C ATOM 677 SG CYS A 45 0.551 10.752 1.100 1.00 0.00 S ATOM 0 H CYS A 45 0.765 8.519 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.845 8.325 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.796 10.291 -0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.791 10.517 0.579 1.00 0.00 H new ATOM 682 N ALA A 46 -2.357 7.917 -1.421 1.00 0.00 N ATOM 683 CA ALA A 46 -3.625 7.402 -2.015 1.00 0.00 C ATOM 684 C ALA A 46 -3.880 5.978 -1.521 1.00 0.00 C ATOM 685 O ALA A 46 -4.962 5.642 -1.078 1.00 0.00 O ATOM 686 CB ALA A 46 -3.508 7.395 -3.541 1.00 0.00 C ATOM 0 H ALA A 46 -1.637 8.179 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.452 8.045 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.434 7.019 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.326 8.409 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.680 6.752 -3.839 1.00 0.00 H new ATOM 692 N ALA A 47 -2.894 5.135 -1.594 1.00 0.00 N ATOM 693 CA ALA A 47 -3.083 3.738 -1.127 1.00 0.00 C ATOM 694 C ALA A 47 -3.428 3.739 0.367 1.00 0.00 C ATOM 695 O ALA A 47 -4.233 2.957 0.828 1.00 0.00 O ATOM 696 CB ALA A 47 -1.794 2.944 -1.361 1.00 0.00 C ATOM 0 H ALA A 47 -1.966 5.352 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.898 3.274 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.931 1.918 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.555 2.943 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.977 3.405 -0.806 1.00 0.00 H new ATOM 702 N LEU A 48 -2.814 4.600 1.129 1.00 0.00 N ATOM 703 CA LEU A 48 -3.087 4.634 2.596 1.00 0.00 C ATOM 704 C LEU A 48 -4.566 4.928 2.875 1.00 0.00 C ATOM 705 O LEU A 48 -5.198 4.239 3.649 1.00 0.00 O ATOM 706 CB LEU A 48 -2.202 5.699 3.253 1.00 0.00 C ATOM 707 CG LEU A 48 -2.510 5.805 4.756 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.291 4.447 5.442 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.575 6.846 5.381 1.00 0.00 C ATOM 0 H LEU A 48 -2.133 5.284 0.800 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.856 3.656 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.152 5.447 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.367 6.664 2.773 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.550 6.103 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.513 4.537 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.951 3.703 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.254 4.137 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.785 6.930 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.539 6.537 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.735 7.812 4.903 1.00 0.00 H new ATOM 721 N GLU A 49 -5.133 5.941 2.277 1.00 0.00 N ATOM 722 CA GLU A 49 -6.566 6.233 2.566 1.00 0.00 C ATOM 723 C GLU A 49 -7.419 5.019 2.195 1.00 0.00 C ATOM 724 O GLU A 49 -8.370 4.691 2.877 1.00 0.00 O ATOM 725 CB GLU A 49 -7.033 7.470 1.793 1.00 0.00 C ATOM 726 CG GLU A 49 -6.580 7.397 0.339 1.00 0.00 C ATOM 727 CD GLU A 49 -7.136 8.605 -0.416 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.307 8.898 -0.245 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.381 9.221 -1.150 1.00 0.00 O ATOM 0 H GLU A 49 -4.677 6.568 1.614 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.678 6.439 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.120 7.545 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.632 8.370 2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.491 7.387 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.931 6.472 -0.119 1.00 0.00 H new ATOM 736 N SER A 50 -7.091 4.341 1.131 1.00 0.00 N ATOM 737 CA SER A 50 -7.896 3.146 0.750 1.00 0.00 C ATOM 738 C SER A 50 -7.726 2.053 1.815 1.00 0.00 C ATOM 739 O SER A 50 -8.673 1.394 2.194 1.00 0.00 O ATOM 740 CB SER A 50 -7.419 2.615 -0.605 1.00 0.00 C ATOM 741 OG SER A 50 -6.140 2.014 -0.450 1.00 0.00 O ATOM 0 H SER A 50 -6.309 4.559 0.514 1.00 0.00 H new ATOM 0 HA SER A 50 -8.947 3.426 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.131 1.887 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.366 3.428 -1.329 1.00 0.00 H new ATOM 0 HG SER A 50 -5.556 2.614 0.059 1.00 0.00 H new ATOM 747 N LEU A 51 -6.529 1.858 2.306 1.00 0.00 N ATOM 748 CA LEU A 51 -6.309 0.812 3.349 1.00 0.00 C ATOM 749 C LEU A 51 -6.942 1.261 4.669 1.00 0.00 C ATOM 750 O LEU A 51 -7.374 0.453 5.468 1.00 0.00 O ATOM 751 CB LEU A 51 -4.808 0.588 3.560 1.00 0.00 C ATOM 752 CG LEU A 51 -4.161 0.067 2.267 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.638 0.080 2.430 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.637 -1.367 1.965 1.00 0.00 C ATOM 0 H LEU A 51 -5.696 2.377 2.030 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.769 -0.119 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.333 1.521 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.650 -0.127 4.368 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.453 0.711 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.171 -0.288 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.302 1.098 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.356 -0.561 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.169 -1.720 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.359 -2.024 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.720 -1.373 1.846 1.00 0.00 H new ATOM 766 N ILE A 52 -6.986 2.543 4.913 1.00 0.00 N ATOM 767 CA ILE A 52 -7.575 3.038 6.191 1.00 0.00 C ATOM 768 C ILE A 52 -9.010 2.516 6.321 1.00 0.00 C ATOM 769 O ILE A 52 -9.557 2.450 7.404 1.00 0.00 O ATOM 770 CB ILE A 52 -7.557 4.584 6.206 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.133 5.088 6.534 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.549 5.131 7.247 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.844 5.029 8.048 1.00 0.00 C ATOM 0 H ILE A 52 -6.640 3.268 4.284 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.988 2.675 7.035 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.854 4.941 5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.400 4.483 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.019 6.113 6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.520 6.221 7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.556 4.794 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.275 4.767 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.834 5.391 8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.561 5.655 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.933 4.000 8.395 1.00 0.00 H new ATOM 785 N ASN A 53 -9.628 2.145 5.233 1.00 0.00 N ATOM 786 CA ASN A 53 -11.025 1.634 5.320 1.00 0.00 C ATOM 787 C ASN A 53 -10.993 0.158 5.727 1.00 0.00 C ATOM 788 O ASN A 53 -11.998 -0.415 6.102 1.00 0.00 O ATOM 789 CB ASN A 53 -11.712 1.777 3.960 1.00 0.00 C ATOM 790 CG ASN A 53 -11.956 3.258 3.661 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.341 4.011 4.534 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.745 3.714 2.455 1.00 0.00 N ATOM 0 H ASN A 53 -9.230 2.173 4.294 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.580 2.208 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.092 1.336 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.658 1.235 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.903 4.700 2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.422 3.084 1.721 1.00 0.00 H new ATOM 799 N VAL A 54 -9.838 -0.460 5.670 1.00 0.00 N ATOM 800 CA VAL A 54 -9.730 -1.898 6.067 1.00 0.00 C ATOM 801 C VAL A 54 -9.406 -1.976 7.563 1.00 0.00 C ATOM 802 O VAL A 54 -8.398 -1.470 8.012 1.00 0.00 O ATOM 803 CB VAL A 54 -8.605 -2.574 5.272 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.550 -4.064 5.632 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.858 -2.415 3.763 1.00 0.00 C ATOM 0 H VAL A 54 -8.965 -0.030 5.365 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.672 -2.406 5.859 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.655 -2.103 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.751 -4.545 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.357 -4.174 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.502 -4.533 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.055 -2.898 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.809 -2.879 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.889 -1.355 3.509 1.00 0.00 H new ATOM 815 N SER A 55 -10.256 -2.603 8.337 1.00 0.00 N ATOM 816 CA SER A 55 -10.014 -2.716 9.813 1.00 0.00 C ATOM 817 C SER A 55 -10.150 -4.180 10.240 1.00 0.00 C ATOM 818 O SER A 55 -10.872 -4.948 9.635 1.00 0.00 O ATOM 819 CB SER A 55 -11.044 -1.866 10.558 1.00 0.00 C ATOM 820 OG SER A 55 -10.777 -0.490 10.318 1.00 0.00 O ATOM 0 H SER A 55 -11.115 -3.046 8.009 1.00 0.00 H new ATOM 0 HA SER A 55 -9.010 -2.363 10.050 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.051 -2.117 10.224 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.002 -2.076 11.627 1.00 0.00 H new ATOM 0 HG SER A 55 -11.436 0.059 10.792 1.00 0.00 H new ATOM 826 N GLY A 56 -9.458 -4.574 11.278 1.00 0.00 N ATOM 827 CA GLY A 56 -9.541 -5.990 11.748 1.00 0.00 C ATOM 828 C GLY A 56 -8.468 -6.836 11.053 1.00 0.00 C ATOM 829 O GLY A 56 -8.620 -8.031 10.892 1.00 0.00 O ATOM 0 H GLY A 56 -8.837 -3.975 11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.405 -6.032 12.829 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.530 -6.395 11.535 1.00 0.00 H new ATOM 833 N CYS A 57 -7.380 -6.228 10.645 1.00 0.00 N ATOM 834 CA CYS A 57 -6.288 -6.997 9.964 1.00 0.00 C ATOM 835 C CYS A 57 -4.926 -6.501 10.465 1.00 0.00 C ATOM 836 O CYS A 57 -4.348 -5.578 9.925 1.00 0.00 O ATOM 837 CB CYS A 57 -6.375 -6.791 8.448 1.00 0.00 C ATOM 838 SG CYS A 57 -7.933 -7.465 7.815 1.00 0.00 S ATOM 0 H CYS A 57 -7.200 -5.230 10.754 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.400 -8.057 10.192 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.308 -5.729 8.213 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.533 -7.280 7.958 1.00 0.00 H new ATOM 843 N SER A 58 -4.414 -7.113 11.499 1.00 0.00 N ATOM 844 CA SER A 58 -3.092 -6.697 12.052 1.00 0.00 C ATOM 845 C SER A 58 -1.988 -6.968 11.031 1.00 0.00 C ATOM 846 O SER A 58 -1.016 -6.243 10.940 1.00 0.00 O ATOM 847 CB SER A 58 -2.795 -7.498 13.320 1.00 0.00 C ATOM 848 OG SER A 58 -1.597 -7.007 13.909 1.00 0.00 O ATOM 0 H SER A 58 -4.859 -7.890 11.988 1.00 0.00 H new ATOM 0 HA SER A 58 -3.126 -5.632 12.280 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.623 -7.410 14.023 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.690 -8.556 13.081 1.00 0.00 H new ATOM 0 HG SER A 58 -1.401 -7.515 14.724 1.00 0.00 H new ATOM 854 N ALA A 59 -2.116 -8.028 10.290 1.00 0.00 N ATOM 855 CA ALA A 59 -1.067 -8.390 9.294 1.00 0.00 C ATOM 856 C ALA A 59 -0.719 -7.205 8.379 1.00 0.00 C ATOM 857 O ALA A 59 0.367 -7.149 7.839 1.00 0.00 O ATOM 858 CB ALA A 59 -1.573 -9.557 8.440 1.00 0.00 C ATOM 0 H ALA A 59 -2.909 -8.668 10.330 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.164 -8.672 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.812 -9.829 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.782 -10.413 9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.485 -9.260 7.922 1.00 0.00 H new ATOM 864 N ILE A 60 -1.619 -6.267 8.183 1.00 0.00 N ATOM 865 CA ILE A 60 -1.317 -5.102 7.280 1.00 0.00 C ATOM 866 C ILE A 60 -1.133 -3.814 8.087 1.00 0.00 C ATOM 867 O ILE A 60 -0.790 -2.785 7.540 1.00 0.00 O ATOM 868 CB ILE A 60 -2.462 -4.925 6.279 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.780 -4.676 7.022 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.586 -6.184 5.419 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.873 -4.325 6.011 1.00 0.00 C ATOM 0 H ILE A 60 -2.547 -6.256 8.607 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.388 -5.307 6.749 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.249 -4.067 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.064 -5.563 7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.658 -3.865 7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.401 -6.059 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.654 -6.349 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.792 -7.042 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.811 -4.147 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.588 -3.426 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.000 -5.151 5.311 1.00 0.00 H new ATOM 883 N GLU A 61 -1.351 -3.844 9.374 1.00 0.00 N ATOM 884 CA GLU A 61 -1.170 -2.594 10.165 1.00 0.00 C ATOM 885 C GLU A 61 0.275 -2.125 10.015 1.00 0.00 C ATOM 886 O GLU A 61 0.544 -0.952 9.849 1.00 0.00 O ATOM 887 CB GLU A 61 -1.478 -2.862 11.640 1.00 0.00 C ATOM 888 CG GLU A 61 -2.989 -3.001 11.829 1.00 0.00 C ATOM 889 CD GLU A 61 -3.656 -1.636 11.660 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.964 -0.640 11.789 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.849 -1.610 11.407 1.00 0.00 O ATOM 0 H GLU A 61 -1.642 -4.665 9.904 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.850 -1.824 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.975 -3.771 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.097 -2.047 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.393 -3.706 11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.206 -3.403 12.819 1.00 0.00 H new ATOM 898 N LYS A 62 1.211 -3.034 10.038 1.00 0.00 N ATOM 899 CA LYS A 62 2.632 -2.633 9.860 1.00 0.00 C ATOM 900 C LYS A 62 2.800 -2.001 8.484 1.00 0.00 C ATOM 901 O LYS A 62 3.497 -1.020 8.319 1.00 0.00 O ATOM 902 CB LYS A 62 3.526 -3.864 9.961 1.00 0.00 C ATOM 903 CG LYS A 62 3.557 -4.346 11.406 1.00 0.00 C ATOM 904 CD LYS A 62 4.452 -5.580 11.511 1.00 0.00 C ATOM 905 CE LYS A 62 4.618 -5.966 12.981 1.00 0.00 C ATOM 906 NZ LYS A 62 5.610 -5.050 13.611 1.00 0.00 N ATOM 0 H LYS A 62 1.053 -4.033 10.172 1.00 0.00 H new ATOM 0 HA LYS A 62 2.911 -1.918 10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.152 -4.654 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.534 -3.624 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.931 -3.556 12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.548 -4.585 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.014 -6.408 10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.426 -5.375 11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.661 -5.899 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.954 -7.000 13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.177 -5.577 14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.236 -4.660 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.110 -4.273 14.089 1.00 0.00 H new ATOM 920 N THR A 63 2.156 -2.552 7.491 1.00 0.00 N ATOM 921 CA THR A 63 2.271 -1.975 6.129 1.00 0.00 C ATOM 922 C THR A 63 1.767 -0.534 6.157 1.00 0.00 C ATOM 923 O THR A 63 2.344 0.346 5.556 1.00 0.00 O ATOM 924 CB THR A 63 1.443 -2.805 5.146 1.00 0.00 C ATOM 925 OG1 THR A 63 1.932 -4.139 5.128 1.00 0.00 O ATOM 926 CG2 THR A 63 1.547 -2.202 3.747 1.00 0.00 C ATOM 0 H THR A 63 1.558 -3.375 7.567 1.00 0.00 H new ATOM 0 HA THR A 63 3.312 -1.989 5.807 1.00 0.00 H new ATOM 0 HB THR A 63 0.399 -2.803 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.402 -4.673 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.956 -2.796 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.170 -1.179 3.763 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.589 -2.200 3.428 1.00 0.00 H new ATOM 934 N GLN A 64 0.706 -0.278 6.868 1.00 0.00 N ATOM 935 CA GLN A 64 0.191 1.115 6.935 1.00 0.00 C ATOM 936 C GLN A 64 1.268 2.011 7.555 1.00 0.00 C ATOM 937 O GLN A 64 1.502 3.118 7.109 1.00 0.00 O ATOM 938 CB GLN A 64 -1.068 1.153 7.798 1.00 0.00 C ATOM 939 CG GLN A 64 -2.213 0.453 7.061 1.00 0.00 C ATOM 940 CD GLN A 64 -3.413 0.318 7.997 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.256 0.226 9.198 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.616 0.302 7.492 1.00 0.00 N ATOM 0 H GLN A 64 0.177 -0.968 7.402 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.052 1.469 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.882 0.662 8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.340 2.185 8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.492 1.023 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.892 -0.531 6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.747 0.379 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.426 0.212 8.106 1.00 0.00 H new ATOM 951 N ARG A 65 1.932 1.538 8.578 1.00 0.00 N ATOM 952 CA ARG A 65 2.999 2.359 9.217 1.00 0.00 C ATOM 953 C ARG A 65 4.097 2.652 8.197 1.00 0.00 C ATOM 954 O ARG A 65 4.513 3.781 8.032 1.00 0.00 O ATOM 955 CB ARG A 65 3.585 1.600 10.409 1.00 0.00 C ATOM 956 CG ARG A 65 4.685 2.438 11.069 1.00 0.00 C ATOM 957 CD ARG A 65 5.080 1.802 12.405 1.00 0.00 C ATOM 958 NE ARG A 65 6.273 2.495 12.965 1.00 0.00 N ATOM 959 CZ ARG A 65 6.550 2.388 14.237 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.766 1.701 15.022 1.00 0.00 N ATOM 961 NH2 ARG A 65 7.602 2.981 14.729 1.00 0.00 N ATOM 0 H ARG A 65 1.781 0.620 8.997 1.00 0.00 H new ATOM 0 HA ARG A 65 2.574 3.300 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.800 1.379 11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.992 0.644 10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.553 2.500 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.334 3.457 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.249 1.866 13.107 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.297 0.743 12.263 1.00 0.00 H new ATOM 0 HE ARG A 65 6.873 3.052 12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.935 1.247 14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.984 1.618 16.015 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.210 3.529 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.817 2.897 15.722 1.00 0.00 H new ATOM 975 N MET A 66 4.569 1.652 7.500 1.00 0.00 N ATOM 976 CA MET A 66 5.630 1.907 6.489 1.00 0.00 C ATOM 977 C MET A 66 5.080 2.843 5.410 1.00 0.00 C ATOM 978 O MET A 66 5.752 3.749 4.966 1.00 0.00 O ATOM 979 CB MET A 66 6.096 0.583 5.865 1.00 0.00 C ATOM 980 CG MET A 66 6.882 -0.215 6.913 1.00 0.00 C ATOM 981 SD MET A 66 7.529 -1.744 6.179 1.00 0.00 S ATOM 982 CE MET A 66 5.975 -2.665 6.062 1.00 0.00 C ATOM 0 H MET A 66 4.268 0.681 7.587 1.00 0.00 H new ATOM 0 HA MET A 66 6.488 2.377 6.970 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.237 0.007 5.520 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.721 0.777 4.993 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.704 0.388 7.299 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.237 -0.453 7.759 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.189 -3.722 5.903 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.410 -2.544 6.986 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.389 -2.284 5.226 1.00 0.00 H new ATOM 992 N LEU A 67 3.853 2.650 5.001 1.00 0.00 N ATOM 993 CA LEU A 67 3.262 3.550 3.968 1.00 0.00 C ATOM 994 C LEU A 67 3.180 4.964 4.539 1.00 0.00 C ATOM 995 O LEU A 67 3.428 5.939 3.857 1.00 0.00 O ATOM 996 CB LEU A 67 1.861 3.066 3.583 1.00 0.00 C ATOM 997 CG LEU A 67 1.952 1.752 2.791 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.542 1.177 2.622 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.584 1.994 1.403 1.00 0.00 C ATOM 0 H LEU A 67 3.237 1.910 5.337 1.00 0.00 H new ATOM 0 HA LEU A 67 3.889 3.543 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.260 2.917 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.358 3.825 2.985 1.00 0.00 H new ATOM 0 HG LEU A 67 2.582 1.049 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.594 0.244 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.107 0.987 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.080 1.891 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.639 1.051 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.972 2.701 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.588 2.401 1.526 1.00 0.00 H new ATOM 1011 N SER A 68 2.835 5.078 5.793 1.00 0.00 N ATOM 1012 CA SER A 68 2.740 6.423 6.420 1.00 0.00 C ATOM 1013 C SER A 68 4.095 7.118 6.300 1.00 0.00 C ATOM 1014 O SER A 68 4.178 8.306 6.064 1.00 0.00 O ATOM 1015 CB SER A 68 2.372 6.274 7.898 1.00 0.00 C ATOM 1016 OG SER A 68 1.056 5.748 8.003 1.00 0.00 O ATOM 0 H SER A 68 2.615 4.296 6.409 1.00 0.00 H new ATOM 0 HA SER A 68 1.973 7.013 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.081 5.613 8.396 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.431 7.240 8.399 1.00 0.00 H new ATOM 0 HG SER A 68 1.054 4.811 7.715 1.00 0.00 H new ATOM 1022 N GLY A 69 5.160 6.381 6.466 1.00 0.00 N ATOM 1023 CA GLY A 69 6.517 6.992 6.363 1.00 0.00 C ATOM 1024 C GLY A 69 6.652 7.743 5.035 1.00 0.00 C ATOM 1025 O GLY A 69 7.371 8.716 4.932 1.00 0.00 O ATOM 0 H GLY A 69 5.149 5.381 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.681 7.676 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.280 6.217 6.432 1.00 0.00 H new ATOM 1029 N PHE A 70 5.966 7.299 4.014 1.00 0.00 N ATOM 1030 CA PHE A 70 6.051 7.987 2.689 1.00 0.00 C ATOM 1031 C PHE A 70 4.880 8.966 2.558 1.00 0.00 C ATOM 1032 O PHE A 70 4.714 9.617 1.546 1.00 0.00 O ATOM 1033 CB PHE A 70 5.976 6.949 1.566 1.00 0.00 C ATOM 1034 CG PHE A 70 7.219 6.089 1.575 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.351 6.474 0.844 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.236 4.898 2.308 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.497 5.667 0.848 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.382 4.092 2.314 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.512 4.477 1.584 1.00 0.00 C ATOM 0 H PHE A 70 5.349 6.487 4.040 1.00 0.00 H new ATOM 0 HA PHE A 70 6.994 8.528 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.091 6.325 1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.877 7.449 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.340 7.393 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.364 4.599 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.368 5.964 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.393 3.174 2.882 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.395 3.856 1.589 1.00 0.00 H new ATOM 1049 N CYS A 71 4.064 9.069 3.579 1.00 0.00 N ATOM 1050 CA CYS A 71 2.889 9.997 3.539 1.00 0.00 C ATOM 1051 C CYS A 71 2.853 10.826 4.836 1.00 0.00 C ATOM 1052 O CYS A 71 2.098 10.525 5.739 1.00 0.00 O ATOM 1053 CB CYS A 71 1.608 9.168 3.440 1.00 0.00 C ATOM 1054 SG CYS A 71 0.221 10.251 3.028 1.00 0.00 S ATOM 0 H CYS A 71 4.163 8.544 4.448 1.00 0.00 H new ATOM 0 HA CYS A 71 2.971 10.663 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.719 8.396 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.418 8.659 4.385 1.00 0.00 H new ATOM 1059 N PRO A 72 3.665 11.858 4.939 1.00 0.00 N ATOM 1060 CA PRO A 72 3.700 12.709 6.171 1.00 0.00 C ATOM 1061 C PRO A 72 2.322 13.257 6.597 1.00 0.00 C ATOM 1062 O PRO A 72 2.233 14.096 7.473 1.00 0.00 O ATOM 1063 CB PRO A 72 4.657 13.842 5.757 1.00 0.00 C ATOM 1064 CG PRO A 72 5.426 13.372 4.512 1.00 0.00 C ATOM 1065 CD PRO A 72 4.607 12.253 3.850 1.00 0.00 C ATOM 0 HA PRO A 72 4.018 12.146 7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.100 14.754 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.347 14.075 6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.573 14.200 3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.416 13.009 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.079 12.606 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.236 11.421 3.535 1.00 0.00 H new ATOM 1073 N HIS A 73 1.251 12.781 6.005 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.116 13.261 6.399 1.00 0.00 C ATOM 1075 C HIS A 73 -1.029 12.037 6.563 1.00 0.00 C ATOM 1076 O HIS A 73 -1.345 11.346 5.613 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.659 14.237 5.331 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.286 13.496 4.177 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.632 13.166 4.158 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.768 13.024 2.998 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.874 12.527 2.999 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.772 12.414 2.255 1.00 0.00 N ATOM 0 H HIS A 73 1.264 12.080 5.265 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.076 13.802 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.396 14.900 5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.152 14.866 4.964 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.314 13.370 4.889 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.264 13.113 2.693 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.843 12.151 2.706 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.432 11.748 7.769 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.298 10.558 8.001 1.00 0.00 C ATOM 1092 C LYS A 74 -3.738 10.877 7.611 1.00 0.00 C ATOM 1093 O LYS A 74 -4.199 11.991 7.761 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.236 10.169 9.476 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.824 9.668 9.800 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.741 9.214 11.263 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.042 10.382 12.210 1.00 0.00 C ATOM 1098 NZ LYS A 74 -0.437 11.639 11.681 1.00 0.00 N ATOM 0 H LYS A 74 -1.199 12.285 8.605 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.943 9.728 7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.485 11.026 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.970 9.393 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.565 8.840 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.099 10.461 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.450 8.405 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.253 8.818 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.120 10.505 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.645 10.168 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.265 12.299 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.464 11.419 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.088 12.077 10.998 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.449 9.900 7.107 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.869 10.120 6.693 1.00 0.00 C ATOM 1114 C VAL A 75 -6.806 9.380 7.651 1.00 0.00 C ATOM 1115 O VAL A 75 -6.628 8.211 7.928 1.00 0.00 O ATOM 1116 CB VAL A 75 -6.070 9.585 5.275 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.516 9.844 4.841 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -5.111 10.305 4.321 1.00 0.00 C ATOM 0 H VAL A 75 -4.104 8.951 6.963 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.093 11.186 6.720 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.868 8.514 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.666 9.465 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.197 9.336 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.715 10.915 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.252 9.926 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.315 11.376 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.083 10.127 4.636 1.00 0.00 H new ATOM 1128 N SER A 76 -7.806 10.052 8.163 1.00 0.00 N ATOM 1129 CA SER A 76 -8.752 9.384 9.105 1.00 0.00 C ATOM 1130 C SER A 76 -9.901 8.758 8.316 1.00 0.00 C ATOM 1131 O SER A 76 -10.133 9.083 7.169 1.00 0.00 O ATOM 1132 CB SER A 76 -9.313 10.416 10.082 1.00 0.00 C ATOM 1133 OG SER A 76 -9.927 11.472 9.352 1.00 0.00 O ATOM 0 H SER A 76 -8.007 11.033 7.969 1.00 0.00 H new ATOM 0 HA SER A 76 -8.223 8.607 9.658 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.040 9.947 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.514 10.810 10.711 1.00 0.00 H new ATOM 0 HG SER A 76 -10.289 12.134 9.977 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.618 7.854 8.925 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.748 7.194 8.217 1.00 0.00 C ATOM 1141 C ALA A 77 -12.804 8.232 7.834 1.00 0.00 C ATOM 1142 O ALA A 77 -13.723 7.943 7.098 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.376 6.144 9.137 1.00 0.00 C ATOM 0 H ALA A 77 -10.469 7.544 9.885 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.374 6.716 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.205 5.658 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.627 5.398 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.745 6.627 10.042 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.687 9.439 8.326 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.697 10.487 7.983 1.00 0.00 C ATOM 1151 C GLY A 78 -13.183 11.328 6.815 1.00 0.00 C ATOM 1152 O GLY A 78 -13.925 11.682 5.921 1.00 0.00 O ATOM 0 H GLY A 78 -11.939 9.744 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.646 10.020 7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.885 11.123 8.848 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.917 11.652 6.814 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.354 12.475 5.702 1.00 0.00 C ATOM 1158 C GLN A 79 -10.872 11.559 4.572 1.00 0.00 C ATOM 1159 O GLN A 79 -10.134 10.620 4.793 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.174 13.298 6.229 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.659 14.282 7.301 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.634 15.289 6.685 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -11.293 15.995 5.756 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -12.844 15.384 7.166 1.00 0.00 N ATOM 0 H GLN A 79 -11.248 11.383 7.535 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.126 13.142 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.416 12.636 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.705 13.842 5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.147 13.739 8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.808 14.806 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.131 14.792 7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.502 16.050 6.762 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.285 11.836 3.359 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.863 11.003 2.184 1.00 0.00 C ATOM 1175 C PHE A 80 -10.329 11.932 1.088 1.00 0.00 C ATOM 1176 O PHE A 80 -10.778 13.053 0.955 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.068 10.216 1.663 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.442 9.156 2.674 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.676 7.987 2.776 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.551 9.339 3.509 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.020 7.004 3.711 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.895 8.356 4.443 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.129 7.188 4.545 1.00 0.00 C ATOM 0 H PHE A 80 -11.904 12.613 3.128 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.083 10.302 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.910 10.887 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.830 9.754 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.820 7.845 2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.141 10.240 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.430 6.103 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.751 8.498 5.086 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.394 6.430 5.267 1.00 0.00 H new ATOM 1193 N SER A 81 -9.356 11.489 0.320 1.00 0.00 N ATOM 1194 CA SER A 81 -8.771 12.365 -0.753 1.00 0.00 C ATOM 1195 C SER A 81 -8.900 11.717 -2.139 1.00 0.00 C ATOM 1196 O SER A 81 -9.268 12.365 -3.100 1.00 0.00 O ATOM 1197 CB SER A 81 -7.287 12.581 -0.455 1.00 0.00 C ATOM 1198 OG SER A 81 -7.153 13.435 0.674 1.00 0.00 O ATOM 0 H SER A 81 -8.942 10.559 0.390 1.00 0.00 H new ATOM 0 HA SER A 81 -9.315 13.309 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.800 11.625 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.791 13.022 -1.320 1.00 0.00 H new ATOM 0 HG SER A 81 -6.203 13.574 0.868 1.00 0.00 H new ATOM 1204 N SER A 82 -8.556 10.460 -2.265 1.00 0.00 N ATOM 1205 CA SER A 82 -8.611 9.790 -3.607 1.00 0.00 C ATOM 1206 C SER A 82 -9.919 9.019 -3.814 1.00 0.00 C ATOM 1207 O SER A 82 -10.148 8.463 -4.870 1.00 0.00 O ATOM 1208 CB SER A 82 -7.438 8.818 -3.725 1.00 0.00 C ATOM 1209 OG SER A 82 -7.481 8.183 -4.995 1.00 0.00 O ATOM 0 H SER A 82 -8.239 9.866 -1.499 1.00 0.00 H new ATOM 0 HA SER A 82 -8.556 10.566 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.495 9.351 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.487 8.073 -2.931 1.00 0.00 H new ATOM 0 HG SER A 82 -8.412 8.108 -5.292 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.781 8.970 -2.841 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.060 8.221 -3.034 1.00 0.00 C ATOM 1217 C LEU A 83 -13.084 9.145 -3.698 1.00 0.00 C ATOM 1218 O LEU A 83 -14.277 8.969 -3.556 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.595 7.739 -1.678 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.543 6.883 -0.944 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.197 6.201 0.269 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.972 5.807 -1.883 1.00 0.00 C ATOM 0 H LEU A 83 -10.662 9.409 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.883 7.353 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.864 8.598 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.504 7.156 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.731 7.532 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.455 5.595 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.586 6.960 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.014 5.563 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.231 5.213 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.778 5.159 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.501 6.286 -2.742 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.623 10.127 -4.433 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.564 11.060 -5.118 1.00 0.00 C ATOM 1236 C HIS A 84 -14.189 10.364 -6.327 1.00 0.00 C ATOM 1237 O HIS A 84 -15.363 10.515 -6.605 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.798 12.294 -5.597 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.128 12.943 -4.424 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.328 12.500 -3.128 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.256 13.998 -4.331 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.591 13.276 -2.318 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.917 14.207 -2.999 1.00 0.00 N ATOM 0 H HIS A 84 -11.634 10.321 -4.587 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.347 11.357 -4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.056 12.010 -6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.480 12.997 -6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.889 14.578 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.548 13.162 -1.245 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.289 14.918 -2.623 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.417 9.601 -7.051 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.976 8.899 -8.240 1.00 0.00 C ATOM 1253 C VAL A 85 -14.819 7.715 -7.772 1.00 0.00 C ATOM 1254 O VAL A 85 -14.535 7.097 -6.766 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.843 8.388 -9.132 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -11.994 9.565 -9.614 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.965 7.415 -8.341 1.00 0.00 C ATOM 0 H VAL A 85 -12.427 9.434 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.591 9.596 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.269 7.874 -9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.188 9.197 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.618 10.255 -10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.570 10.084 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.159 7.052 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.542 7.927 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.568 6.572 -8.004 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.862 7.398 -8.489 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.733 6.260 -8.081 1.00 0.00 C ATOM 1269 C ARG A 86 -16.254 4.984 -8.775 1.00 0.00 C ATOM 1270 O ARG A 86 -16.951 4.398 -9.580 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.169 6.575 -8.499 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.695 7.726 -7.637 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.057 8.194 -8.155 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.064 7.113 -7.972 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.339 7.394 -8.024 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.727 8.623 -8.231 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -23.223 6.447 -7.863 1.00 0.00 N ATOM 0 H ARG A 86 -16.149 7.879 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.688 6.114 -7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.203 6.848 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.799 5.694 -8.377 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.784 7.402 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.987 8.555 -7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.371 9.091 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -19.983 8.461 -9.209 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.759 6.154 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.035 9.363 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.722 8.844 -8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.918 5.488 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.218 6.666 -7.904 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.066 4.548 -8.455 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.524 3.308 -9.076 1.00 0.00 C ATOM 1293 C ASP A 87 -15.042 2.101 -8.292 1.00 0.00 C ATOM 1294 O ASP A 87 -15.630 2.244 -7.241 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.993 3.340 -9.030 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.478 4.419 -9.985 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.132 4.660 -10.986 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.435 4.987 -9.699 1.00 0.00 O ATOM 0 H ASP A 87 -14.444 5.001 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.845 3.238 -10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.653 3.545 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.589 2.367 -9.311 1.00 0.00 H new ATOM 1303 N THR A 88 -14.839 0.913 -8.792 1.00 0.00 N ATOM 1304 CA THR A 88 -15.338 -0.294 -8.064 1.00 0.00 C ATOM 1305 C THR A 88 -14.267 -0.776 -7.082 1.00 0.00 C ATOM 1306 O THR A 88 -13.103 -0.456 -7.210 1.00 0.00 O ATOM 1307 CB THR A 88 -15.630 -1.406 -9.074 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.406 -1.980 -9.509 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.374 -0.830 -10.279 1.00 0.00 C ATOM 0 H THR A 88 -14.352 0.724 -9.668 1.00 0.00 H new ATOM 0 HA THR A 88 -16.247 -0.041 -7.519 1.00 0.00 H new ATOM 0 HB THR A 88 -16.248 -2.169 -8.600 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.591 -2.694 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.579 -1.626 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.314 -0.388 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.760 -0.065 -10.754 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.653 -1.544 -6.095 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.657 -2.043 -5.100 1.00 0.00 C ATOM 1319 C LYS A 89 -13.019 -3.332 -5.618 1.00 0.00 C ATOM 1320 O LYS A 89 -13.569 -4.011 -6.461 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.359 -2.333 -3.773 1.00 0.00 C ATOM 1322 CG LYS A 89 -14.943 -1.041 -3.202 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.640 -1.346 -1.874 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.223 -0.058 -1.301 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.173 -0.383 -0.201 1.00 0.00 N ATOM 0 H LYS A 89 -15.614 -1.847 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.888 -1.285 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.152 -3.066 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.653 -2.768 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.152 -0.306 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.652 -0.606 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.431 -2.080 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.931 -1.782 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.422 0.580 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.736 0.501 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.569 0.497 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.944 -0.975 -0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.671 -0.898 0.550 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.856 -3.671 -5.117 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.162 -4.917 -5.569 1.00 0.00 C ATOM 1341 C ILE A 90 -10.636 -5.681 -4.355 1.00 0.00 C ATOM 1342 O ILE A 90 -10.541 -5.151 -3.266 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.002 -4.543 -6.494 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.041 -3.595 -5.768 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.553 -3.852 -7.743 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.838 -3.306 -6.664 1.00 0.00 C ATOM 0 H ILE A 90 -11.355 -3.134 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.864 -5.551 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.464 -5.447 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.551 -2.666 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.711 -4.042 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.729 -3.584 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.231 -4.528 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.092 -2.951 -7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.154 -2.632 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.323 -4.239 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.177 -2.841 -7.590 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.295 -6.925 -4.538 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.777 -7.740 -3.404 1.00 0.00 C ATOM 1360 C GLU A 91 -8.454 -7.159 -2.901 1.00 0.00 C ATOM 1361 O GLU A 91 -7.616 -6.733 -3.671 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.552 -9.177 -3.878 1.00 0.00 C ATOM 1363 CG GLU A 91 -10.903 -9.845 -4.133 1.00 0.00 C ATOM 1364 CD GLU A 91 -10.682 -11.280 -4.608 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.534 -11.655 -4.782 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.664 -11.982 -4.786 1.00 0.00 O ATOM 0 H GLU A 91 -10.353 -7.416 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.504 -7.726 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.954 -9.182 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.993 -9.736 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.500 -9.841 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.462 -9.285 -4.883 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.262 -7.144 -1.608 1.00 0.00 N ATOM 1374 CA VAL A 92 -6.994 -6.597 -1.044 1.00 0.00 C ATOM 1375 C VAL A 92 -5.805 -7.378 -1.612 1.00 0.00 C ATOM 1376 O VAL A 92 -4.788 -6.812 -1.962 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.023 -6.741 0.484 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.641 -6.419 1.068 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.063 -5.775 1.070 1.00 0.00 C ATOM 0 H VAL A 92 -8.930 -7.488 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.893 -5.545 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.289 -7.766 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.671 -6.524 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.903 -7.108 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.366 -5.396 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.084 -5.877 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.797 -4.751 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.047 -6.010 0.665 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.924 -8.673 -1.708 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.800 -9.486 -2.252 1.00 0.00 C ATOM 1391 C ALA A 93 -4.387 -8.936 -3.618 1.00 0.00 C ATOM 1392 O ALA A 93 -3.218 -8.863 -3.944 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.246 -10.940 -2.397 1.00 0.00 C ATOM 0 H ALA A 93 -6.751 -9.204 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.951 -9.435 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.424 -11.535 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.537 -11.330 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.095 -10.994 -3.078 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.339 -8.546 -4.418 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.005 -7.998 -5.762 1.00 0.00 C ATOM 1401 C GLN A 94 -4.403 -6.607 -5.586 1.00 0.00 C ATOM 1402 O GLN A 94 -3.486 -6.215 -6.280 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.281 -7.873 -6.596 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.807 -9.259 -6.957 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.138 -9.116 -7.700 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.835 -8.134 -7.533 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.520 -10.053 -8.522 1.00 0.00 N ATOM 0 H GLN A 94 -6.335 -8.583 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.300 -8.662 -6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.038 -7.322 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.078 -7.304 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.084 -9.784 -7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.943 -9.856 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.936 -10.877 -8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.403 -9.962 -9.024 1.00 0.00 H new ATOM 1416 N PHE A 95 -4.928 -5.860 -4.662 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.422 -4.486 -4.416 1.00 0.00 C ATOM 1418 C PHE A 95 -2.941 -4.532 -4.034 1.00 0.00 C ATOM 1419 O PHE A 95 -2.128 -3.802 -4.569 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.222 -3.881 -3.267 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.711 -2.499 -2.956 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.643 -2.337 -2.065 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.303 -1.382 -3.553 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.166 -1.056 -1.772 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.827 -0.100 -3.258 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.760 0.063 -2.370 1.00 0.00 C ATOM 0 H PHE A 95 -5.698 -6.147 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.532 -3.884 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.278 -3.836 -3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.142 -4.515 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.188 -3.201 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.126 -1.509 -4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.341 -0.929 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.284 0.764 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.393 1.053 -2.144 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.586 -5.374 -3.104 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.160 -5.455 -2.681 1.00 0.00 C ATOM 1438 C VAL A 96 -0.290 -5.848 -3.876 1.00 0.00 C ATOM 1439 O VAL A 96 0.727 -5.241 -4.139 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.008 -6.507 -1.581 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.473 -6.660 -1.223 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.797 -6.072 -0.343 1.00 0.00 C ATOM 0 H VAL A 96 -3.220 -6.009 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.844 -4.483 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.394 -7.463 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.582 -7.409 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.030 -6.974 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.862 -5.705 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.688 -6.822 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.415 -5.116 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.851 -5.968 -0.601 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.674 -6.867 -4.596 1.00 0.00 N ATOM 1453 CA LYS A 97 0.147 -7.302 -5.764 1.00 0.00 C ATOM 1454 C LYS A 97 0.208 -6.201 -6.824 1.00 0.00 C ATOM 1455 O LYS A 97 1.256 -5.912 -7.359 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.458 -8.567 -6.366 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.242 -9.735 -5.399 1.00 0.00 C ATOM 1458 CD LYS A 97 -0.690 -11.048 -6.049 1.00 0.00 C ATOM 1459 CE LYS A 97 -2.219 -11.147 -6.044 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.624 -12.512 -6.480 1.00 0.00 N ATOM 0 H LYS A 97 -1.517 -7.416 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 97 1.162 -7.506 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.523 -8.424 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.006 -8.785 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.810 -9.798 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.804 -9.565 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.318 -11.101 -7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.262 -11.893 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.605 -10.942 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.646 -10.398 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.662 -12.584 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.267 -12.690 -7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.227 -13.217 -5.827 1.00 0.00 H new ATOM 1474 N ASP A 98 -0.886 -5.566 -7.133 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.825 -4.491 -8.161 1.00 0.00 C ATOM 1476 C ASP A 98 0.149 -3.430 -7.661 1.00 0.00 C ATOM 1477 O ASP A 98 0.943 -2.895 -8.408 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.210 -3.873 -8.348 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.135 -4.877 -9.041 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.627 -5.745 -9.731 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.336 -4.759 -8.868 1.00 0.00 O ATOM 0 H ASP A 98 -1.805 -5.740 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.495 -4.895 -9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.625 -3.589 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.135 -2.963 -8.943 1.00 0.00 H new ATOM 1486 N LEU A 99 0.102 -3.140 -6.392 1.00 0.00 N ATOM 1487 CA LEU A 99 1.035 -2.137 -5.816 1.00 0.00 C ATOM 1488 C LEU A 99 2.482 -2.635 -5.960 1.00 0.00 C ATOM 1489 O LEU A 99 3.379 -1.875 -6.253 1.00 0.00 O ATOM 1490 CB LEU A 99 0.699 -1.929 -4.330 1.00 0.00 C ATOM 1491 CG LEU A 99 1.651 -0.897 -3.704 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.520 0.453 -4.435 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.291 -0.719 -2.222 1.00 0.00 C ATOM 0 H LEU A 99 -0.547 -3.558 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 99 0.931 -1.191 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.332 -1.591 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.778 -2.876 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 99 2.679 -1.248 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.198 1.178 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.774 0.323 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.495 0.814 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.962 0.012 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.262 -0.369 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.393 -1.673 -1.706 1.00 0.00 H new ATOM 1505 N LEU A 100 2.712 -3.905 -5.747 1.00 0.00 N ATOM 1506 CA LEU A 100 4.103 -4.450 -5.855 1.00 0.00 C ATOM 1507 C LEU A 100 4.715 -4.091 -7.214 1.00 0.00 C ATOM 1508 O LEU A 100 5.865 -3.712 -7.302 1.00 0.00 O ATOM 1509 CB LEU A 100 4.060 -5.977 -5.681 1.00 0.00 C ATOM 1510 CG LEU A 100 5.421 -6.606 -6.023 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.530 -5.957 -5.188 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.372 -8.104 -5.715 1.00 0.00 C ATOM 0 H LEU A 100 1.997 -4.591 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 100 4.724 -4.010 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.789 -6.223 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.288 -6.399 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 100 5.632 -6.446 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.488 -6.411 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.568 -4.889 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.324 -6.109 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.334 -8.557 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.156 -8.251 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.591 -8.573 -6.313 1.00 0.00 H new ATOM 1524 N LEU A 101 3.976 -4.207 -8.276 1.00 0.00 N ATOM 1525 CA LEU A 101 4.564 -3.871 -9.606 1.00 0.00 C ATOM 1526 C LEU A 101 5.018 -2.405 -9.610 1.00 0.00 C ATOM 1527 O LEU A 101 6.055 -2.071 -10.148 1.00 0.00 O ATOM 1528 CB LEU A 101 3.514 -4.102 -10.704 1.00 0.00 C ATOM 1529 CG LEU A 101 3.433 -5.598 -11.082 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.654 -6.016 -11.923 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.370 -6.459 -9.814 1.00 0.00 C ATOM 0 H LEU A 101 3.004 -4.515 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 101 5.426 -4.510 -9.798 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.539 -3.756 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.768 -3.513 -11.585 1.00 0.00 H new ATOM 0 HG LEU A 101 2.529 -5.750 -11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.576 -7.073 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.686 -5.424 -12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.566 -5.847 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.313 -7.512 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.264 -6.290 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.488 -6.188 -9.234 1.00 0.00 H new ATOM 1543 N HIS A 102 4.259 -1.526 -9.024 1.00 0.00 N ATOM 1544 CA HIS A 102 4.673 -0.093 -9.003 1.00 0.00 C ATOM 1545 C HIS A 102 5.875 0.125 -8.076 1.00 0.00 C ATOM 1546 O HIS A 102 6.754 0.900 -8.377 1.00 0.00 O ATOM 1547 CB HIS A 102 3.503 0.789 -8.555 1.00 0.00 C ATOM 1548 CG HIS A 102 2.532 0.915 -9.692 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.659 1.900 -10.657 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.444 0.169 -10.056 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.672 1.721 -11.551 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.899 0.678 -11.232 1.00 0.00 N ATOM 0 H HIS A 102 3.374 -1.733 -8.560 1.00 0.00 H new ATOM 0 HA HIS A 102 4.968 0.185 -10.015 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.012 0.352 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.864 1.773 -8.256 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.066 -0.685 -9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.522 2.343 -12.421 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.086 0.330 -11.740 1.00 0.00 H new ATOM 1560 N LEU A 103 5.920 -0.516 -6.939 1.00 0.00 N ATOM 1561 CA LEU A 103 7.072 -0.270 -6.016 1.00 0.00 C ATOM 1562 C LEU A 103 8.392 -0.602 -6.719 1.00 0.00 C ATOM 1563 O LEU A 103 9.320 0.182 -6.702 1.00 0.00 O ATOM 1564 CB LEU A 103 6.940 -1.137 -4.758 1.00 0.00 C ATOM 1565 CG LEU A 103 5.641 -0.804 -4.013 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.503 -1.739 -2.809 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.653 0.658 -3.528 1.00 0.00 C ATOM 0 H LEU A 103 5.225 -1.187 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 103 7.066 0.782 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.949 -2.192 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.795 -0.971 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 103 4.799 -0.938 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.582 -1.509 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.475 -2.773 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.354 -1.602 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.723 0.875 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.495 0.811 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.749 1.325 -4.385 1.00 0.00 H new ATOM 1579 N LYS A 104 8.494 -1.744 -7.336 1.00 0.00 N ATOM 1580 CA LYS A 104 9.767 -2.091 -8.031 1.00 0.00 C ATOM 1581 C LYS A 104 9.979 -1.146 -9.222 1.00 0.00 C ATOM 1582 O LYS A 104 11.094 -0.888 -9.629 1.00 0.00 O ATOM 1583 CB LYS A 104 9.717 -3.548 -8.521 1.00 0.00 C ATOM 1584 CG LYS A 104 8.606 -3.711 -9.560 1.00 0.00 C ATOM 1585 CD LYS A 104 8.466 -5.190 -9.956 1.00 0.00 C ATOM 1586 CE LYS A 104 8.011 -6.026 -8.752 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.216 -7.192 -9.233 1.00 0.00 N ATOM 0 H LYS A 104 7.759 -2.449 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 104 10.597 -1.981 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.677 -3.828 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.541 -4.218 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.663 -3.344 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.831 -3.110 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.746 -5.289 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.419 -5.565 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.877 -6.370 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.411 -5.416 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.065 -7.857 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.296 -6.862 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.731 -7.672 -9.998 1.00 0.00 H new ATOM 1601 N LYS A 105 8.915 -0.645 -9.799 1.00 0.00 N ATOM 1602 CA LYS A 105 9.057 0.262 -10.979 1.00 0.00 C ATOM 1603 C LYS A 105 9.712 1.592 -10.572 1.00 0.00 C ATOM 1604 O LYS A 105 10.632 2.054 -11.217 1.00 0.00 O ATOM 1605 CB LYS A 105 7.674 0.536 -11.571 1.00 0.00 C ATOM 1606 CG LYS A 105 7.828 1.276 -12.900 1.00 0.00 C ATOM 1607 CD LYS A 105 6.447 1.598 -13.470 1.00 0.00 C ATOM 1608 CE LYS A 105 6.598 2.185 -14.874 1.00 0.00 C ATOM 1609 NZ LYS A 105 7.092 1.130 -15.804 1.00 0.00 N ATOM 0 H LYS A 105 7.955 -0.825 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 105 9.693 -0.224 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.140 -0.402 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.081 1.132 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.395 2.195 -12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.390 0.664 -13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.837 0.695 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.931 2.306 -12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.641 2.573 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.294 3.024 -14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.834 1.379 -16.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.127 1.056 -15.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.660 0.217 -15.554 1.00 0.00 H new ATOM 1623 N LEU A 106 9.258 2.210 -9.514 1.00 0.00 N ATOM 1624 CA LEU A 106 9.881 3.503 -9.087 1.00 0.00 C ATOM 1625 C LEU A 106 11.356 3.266 -8.767 1.00 0.00 C ATOM 1626 O LEU A 106 12.190 4.129 -8.960 1.00 0.00 O ATOM 1627 CB LEU A 106 9.168 4.068 -7.842 1.00 0.00 C ATOM 1628 CG LEU A 106 7.882 4.842 -8.220 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.234 6.248 -8.727 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.091 4.103 -9.309 1.00 0.00 C ATOM 0 H LEU A 106 8.489 1.881 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 106 9.785 4.225 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.916 3.251 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.846 4.730 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 106 7.267 4.916 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.319 6.780 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.761 6.795 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.872 6.168 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.193 4.670 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.709 3.999 -10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.808 3.115 -8.946 1.00 0.00 H new ATOM 1642 N PHE A 107 11.681 2.110 -8.266 1.00 0.00 N ATOM 1643 CA PHE A 107 13.099 1.825 -7.922 1.00 0.00 C ATOM 1644 C PHE A 107 13.983 1.939 -9.167 1.00 0.00 C ATOM 1645 O PHE A 107 15.088 2.442 -9.103 1.00 0.00 O ATOM 1646 CB PHE A 107 13.218 0.414 -7.349 1.00 0.00 C ATOM 1647 CG PHE A 107 14.667 0.149 -7.045 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.227 0.621 -5.856 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.454 -0.554 -7.963 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.577 0.391 -5.582 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.805 -0.788 -7.689 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.367 -0.315 -6.498 1.00 0.00 C ATOM 0 H PHE A 107 11.027 1.350 -8.080 1.00 0.00 H new ATOM 0 HA PHE A 107 13.429 2.553 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.617 0.319 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.839 -0.319 -8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.617 1.163 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.019 -0.916 -8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.012 0.758 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.414 -1.333 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.410 -0.494 -6.285 1.00 0.00 H new ATOM 1662 N ARG A 108 13.521 1.469 -10.293 1.00 0.00 N ATOM 1663 CA ARG A 108 14.357 1.552 -11.526 1.00 0.00 C ATOM 1664 C ARG A 108 14.663 3.019 -11.838 1.00 0.00 C ATOM 1665 O ARG A 108 15.723 3.348 -12.334 1.00 0.00 O ATOM 1666 CB ARG A 108 13.611 0.942 -12.714 1.00 0.00 C ATOM 1667 CG ARG A 108 13.502 -0.574 -12.544 1.00 0.00 C ATOM 1668 CD ARG A 108 12.782 -1.154 -13.764 1.00 0.00 C ATOM 1669 NE ARG A 108 12.518 -2.608 -13.563 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.681 -3.229 -14.351 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.087 -2.576 -15.315 1.00 0.00 N ATOM 1672 NH2 ARG A 108 11.440 -4.501 -14.181 1.00 0.00 N ATOM 0 H ARG A 108 12.607 1.033 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 108 15.283 1.002 -11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.616 1.379 -12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.135 1.175 -13.641 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.494 -1.015 -12.445 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.954 -0.814 -11.633 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.843 -0.625 -13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.389 -1.007 -14.657 1.00 0.00 H new ATOM 0 HE ARG A 108 12.989 -3.115 -12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.277 -1.583 -15.451 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.433 -3.059 -15.931 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.906 -5.013 -13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.786 -4.983 -14.798 1.00 0.00 H new ATOM 1686 N GLU A 109 13.739 3.906 -11.567 1.00 0.00 N ATOM 1687 CA GLU A 109 13.984 5.347 -11.869 1.00 0.00 C ATOM 1688 C GLU A 109 14.790 5.984 -10.733 1.00 0.00 C ATOM 1689 O GLU A 109 15.350 7.050 -10.885 1.00 0.00 O ATOM 1690 CB GLU A 109 12.640 6.072 -12.010 1.00 0.00 C ATOM 1691 CG GLU A 109 11.933 5.598 -13.280 1.00 0.00 C ATOM 1692 CD GLU A 109 10.591 6.320 -13.419 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.195 6.980 -12.471 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.983 6.206 -14.471 1.00 0.00 O ATOM 0 H GLU A 109 12.831 3.696 -11.152 1.00 0.00 H new ATOM 0 HA GLU A 109 14.546 5.431 -12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.016 5.875 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.799 7.150 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.557 5.797 -14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.775 4.520 -13.240 1.00 0.00 H new ATOM 1701 N GLY A 110 14.866 5.337 -9.601 1.00 0.00 N ATOM 1702 CA GLY A 110 15.650 5.908 -8.472 1.00 0.00 C ATOM 1703 C GLY A 110 14.952 7.163 -7.947 1.00 0.00 C ATOM 1704 O GLY A 110 15.438 7.824 -7.050 1.00 0.00 O ATOM 0 H GLY A 110 14.420 4.440 -9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.746 5.172 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.659 6.152 -8.804 1.00 0.00 H new ATOM 1708 N ARG A 111 13.806 7.495 -8.490 1.00 0.00 N ATOM 1709 CA ARG A 111 13.076 8.707 -8.008 1.00 0.00 C ATOM 1710 C ARG A 111 12.107 8.284 -6.911 1.00 0.00 C ATOM 1711 O ARG A 111 11.014 7.822 -7.174 1.00 0.00 O ATOM 1712 CB ARG A 111 12.278 9.336 -9.151 1.00 0.00 C ATOM 1713 CG ARG A 111 13.228 9.913 -10.199 1.00 0.00 C ATOM 1714 CD ARG A 111 12.410 10.615 -11.289 1.00 0.00 C ATOM 1715 NE ARG A 111 11.484 9.643 -11.933 1.00 0.00 N ATOM 1716 CZ ARG A 111 10.484 10.077 -12.651 1.00 0.00 C ATOM 1717 NH1 ARG A 111 10.315 11.361 -12.827 1.00 0.00 N ATOM 1718 NH2 ARG A 111 9.654 9.232 -13.198 1.00 0.00 N ATOM 0 H ARG A 111 13.347 6.981 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 111 13.795 9.435 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.631 8.587 -9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.631 10.123 -8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.917 10.618 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.832 9.118 -10.636 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.843 11.439 -10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 111 13.077 11.045 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 111 11.631 8.641 -11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.964 12.024 -12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.534 11.700 -13.388 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.786 8.229 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.873 9.574 -13.759 1.00 0.00 H new ATOM 1732 N PHE A 112 12.505 8.430 -5.681 1.00 0.00 N ATOM 1733 CA PHE A 112 11.624 8.032 -4.548 1.00 0.00 C ATOM 1734 C PHE A 112 10.800 9.237 -4.091 1.00 0.00 C ATOM 1735 O PHE A 112 11.292 10.345 -4.019 1.00 0.00 O ATOM 1736 CB PHE A 112 12.506 7.527 -3.411 1.00 0.00 C ATOM 1737 CG PHE A 112 13.416 6.458 -3.964 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.931 5.161 -4.151 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.738 6.769 -4.310 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.766 4.172 -4.680 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.573 5.776 -4.839 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.086 4.479 -5.024 1.00 0.00 C ATOM 0 H PHE A 112 13.411 8.811 -5.408 1.00 0.00 H new ATOM 0 HA PHE A 112 10.937 7.244 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.091 8.345 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.894 7.125 -2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.911 4.922 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.112 7.772 -4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.391 3.169 -4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.593 6.013 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.729 3.714 -5.433 1.00 0.00 H new ATOM 1752 N ASN A 113 9.548 9.029 -3.786 1.00 0.00 N ATOM 1753 CA ASN A 113 8.690 10.162 -3.336 1.00 0.00 C ATOM 1754 C ASN A 113 8.871 11.351 -4.282 1.00 0.00 C ATOM 1755 CB ASN A 113 9.092 10.573 -1.919 1.00 0.00 C ATOM 1756 CG ASN A 113 8.044 11.532 -1.350 1.00 0.00 C ATOM 1757 OD1 ASN A 113 6.973 11.678 -1.903 1.00 0.00 O ATOM 1758 ND2 ASN A 113 8.310 12.193 -0.257 1.00 0.00 N ATOM 1759 OXT ASN A 113 8.888 12.472 -3.799 1.00 0.00 O ATOM 0 H ASN A 113 9.082 8.123 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 113 7.646 9.850 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.177 9.692 -1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.071 11.053 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.618 12.833 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.210 12.070 0.207 1.00 0.00 H new TER 1766 ASN A 113