USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS :FLIP no HE2:sc= -7.59! C(o=-9!,f=-8.4!) USER MOD Set 1.2: A 88 PNS S44 : rot 170:sc= -0.799 USER MOD Set 2.1: A 27 SER OG : rot 100:sc= -0.157 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 170:sc= 0.524 (180deg=0) USER MOD Set 3.1: A 23 THR OG1 : rot -8:sc= 0.894 USER MOD Set 3.2: A 26 THR OG1 : rot -160:sc= 0.934 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.101 (180deg=-0.522) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.669 (180deg=-1.36) USER MOD Single : A 3 THR OG1 : rot -104:sc= 0.475 USER MOD Single : A 8 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 13 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.18) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 38 SER OG : rot 177:sc= 0.654 USER MOD Single : A 40 MET CE :methyl -166:sc= -0.0524 (180deg=-0.331) USER MOD Single : A 41 ASN : amide:sc= -0.0442 K(o=-0.044,f=-2!) USER MOD Single : A 45 SER OG : rot 81:sc= 0.774 USER MOD Single : A 49 HIS : no HD1:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 50 TYR OH : rot 130:sc= -0.0443 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0.657 (180deg=0.337) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc=-0.00617 (180deg=-0.0662) USER MOD Single : A 60 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0947 F(o=-2,f=-0.095) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -106:sc= 0.0579 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= 1.11 (180deg=0.454) USER MOD Single : A 82 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 83 HIS : no HD1:sc=-0.00474 X(o=-0.0047,f=-0.022) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=-0.00026) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 87 HIS :FLIP no HE2:sc=-0.00173 F(o=-0.92,f=-0.0017) USER MOD Single : A 88 PNS O33 : rot -39:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.741 1.398 3.737 1.00 0.00 N ATOM 2 CA MET A 1 -11.886 2.135 4.318 1.00 0.00 C ATOM 3 C MET A 1 -11.434 3.375 5.150 1.00 0.00 C ATOM 4 O MET A 1 -11.974 4.458 4.922 1.00 0.00 O ATOM 5 CB MET A 1 -12.802 1.202 5.163 1.00 0.00 C ATOM 6 CG MET A 1 -13.349 -0.018 4.410 1.00 0.00 C ATOM 7 SD MET A 1 -12.051 -1.203 3.974 1.00 0.00 S ATOM 8 CE MET A 1 -11.497 -1.763 5.589 1.00 0.00 C ATOM 0 H1 MET A 1 -10.769 1.474 2.700 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.851 1.805 4.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.797 0.397 4.012 1.00 0.00 H new ATOM 0 HA MET A 1 -12.470 2.507 3.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.241 0.854 6.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.642 1.785 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.098 -0.515 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.852 0.315 3.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.963 -2.708 5.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.832 -1.017 6.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.359 -1.904 6.241 1.00 0.00 H new ATOM 20 N PRO A 2 -10.470 3.273 6.151 1.00 0.00 N ATOM 21 CA PRO A 2 -10.083 4.438 6.994 1.00 0.00 C ATOM 22 C PRO A 2 -8.860 5.228 6.469 1.00 0.00 C ATOM 23 O PRO A 2 -8.421 6.190 7.115 1.00 0.00 O ATOM 24 CB PRO A 2 -9.772 3.749 8.340 1.00 0.00 C ATOM 25 CG PRO A 2 -9.121 2.450 7.949 1.00 0.00 C ATOM 26 CD PRO A 2 -9.721 2.051 6.600 1.00 0.00 C ATOM 0 HA PRO A 2 -10.861 5.201 7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.109 4.357 8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.679 3.581 8.920 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.040 2.565 7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.308 1.681 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.945 1.775 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.384 1.192 6.698 1.00 0.00 H new ATOM 34 N THR A 3 -8.330 4.828 5.302 1.00 0.00 N ATOM 35 CA THR A 3 -7.072 5.375 4.768 1.00 0.00 C ATOM 36 C THR A 3 -7.210 6.829 4.294 1.00 0.00 C ATOM 37 O THR A 3 -6.650 7.701 4.942 1.00 0.00 O ATOM 38 CB THR A 3 -6.474 4.477 3.636 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.515 4.018 2.759 1.00 0.00 O ATOM 40 CG2 THR A 3 -5.709 3.280 4.215 1.00 0.00 C ATOM 0 H THR A 3 -8.758 4.121 4.705 1.00 0.00 H new ATOM 0 HA THR A 3 -6.371 5.374 5.603 1.00 0.00 H new ATOM 0 HB THR A 3 -5.770 5.085 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.719 3.080 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.307 2.677 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.891 3.639 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.385 2.673 4.817 1.00 0.00 H new ATOM 48 N LEU A 4 -7.970 7.091 3.194 1.00 0.00 N ATOM 49 CA LEU A 4 -8.050 8.444 2.555 1.00 0.00 C ATOM 50 C LEU A 4 -8.451 9.537 3.568 1.00 0.00 C ATOM 51 O LEU A 4 -7.958 10.662 3.505 1.00 0.00 O ATOM 52 CB LEU A 4 -9.046 8.444 1.360 1.00 0.00 C ATOM 53 CG LEU A 4 -8.676 7.517 0.160 1.00 0.00 C ATOM 54 CD1 LEU A 4 -9.708 7.623 -0.987 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.256 7.820 -0.355 1.00 0.00 C ATOM 0 H LEU A 4 -8.538 6.384 2.728 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.051 8.674 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.028 8.150 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.138 9.465 0.990 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.697 6.491 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.414 6.963 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.692 7.331 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.746 8.651 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.024 7.160 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.203 8.857 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.536 7.657 0.447 1.00 0.00 H new ATOM 67 N ASP A 5 -9.338 9.164 4.501 1.00 0.00 N ATOM 68 CA ASP A 5 -9.757 10.010 5.639 1.00 0.00 C ATOM 69 C ASP A 5 -8.544 10.518 6.449 1.00 0.00 C ATOM 70 O ASP A 5 -8.409 11.717 6.705 1.00 0.00 O ATOM 71 CB ASP A 5 -10.712 9.197 6.558 1.00 0.00 C ATOM 72 CG ASP A 5 -11.207 9.991 7.784 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.206 10.735 7.657 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.611 9.872 8.877 1.00 0.00 O ATOM 0 H ASP A 5 -9.795 8.252 4.490 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.275 10.884 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.573 8.869 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.198 8.299 6.900 1.00 0.00 H new ATOM 79 N ALA A 6 -7.669 9.582 6.822 1.00 0.00 N ATOM 80 CA ALA A 6 -6.475 9.854 7.638 1.00 0.00 C ATOM 81 C ALA A 6 -5.301 10.379 6.773 1.00 0.00 C ATOM 82 O ALA A 6 -4.415 11.077 7.283 1.00 0.00 O ATOM 83 CB ALA A 6 -6.075 8.578 8.399 1.00 0.00 C ATOM 0 H ALA A 6 -7.767 8.600 6.565 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.714 10.639 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.191 8.777 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.895 8.268 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.855 7.783 7.686 1.00 0.00 H new ATOM 89 N LEU A 7 -5.314 10.059 5.459 1.00 0.00 N ATOM 90 CA LEU A 7 -4.226 10.418 4.527 1.00 0.00 C ATOM 91 C LEU A 7 -4.341 11.892 4.089 1.00 0.00 C ATOM 92 O LEU A 7 -3.322 12.541 3.878 1.00 0.00 O ATOM 93 CB LEU A 7 -4.213 9.487 3.270 1.00 0.00 C ATOM 94 CG LEU A 7 -3.823 7.984 3.486 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.928 7.175 2.165 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.421 7.847 4.106 1.00 0.00 C ATOM 0 H LEU A 7 -6.078 9.546 5.018 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.286 10.280 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.205 9.516 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.521 9.913 2.543 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.539 7.564 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.651 6.137 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.952 7.216 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.255 7.603 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.185 6.792 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.684 8.302 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.400 8.350 5.073 1.00 0.00 H new ATOM 108 N THR A 8 -5.583 12.411 3.954 1.00 0.00 N ATOM 109 CA THR A 8 -5.831 13.804 3.494 1.00 0.00 C ATOM 110 C THR A 8 -5.077 14.870 4.369 1.00 0.00 C ATOM 111 O THR A 8 -4.413 15.733 3.792 1.00 0.00 O ATOM 112 CB THR A 8 -7.371 14.121 3.376 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.987 13.202 2.456 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.655 15.555 2.896 1.00 0.00 C ATOM 0 H THR A 8 -6.434 11.887 4.157 1.00 0.00 H new ATOM 0 HA THR A 8 -5.412 13.876 2.490 1.00 0.00 H new ATOM 0 HB THR A 8 -7.787 14.016 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.859 12.284 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.732 15.712 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.224 16.267 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.210 15.704 1.912 1.00 0.00 H new ATOM 122 N PRO A 9 -5.131 14.806 5.759 1.00 0.00 N ATOM 123 CA PRO A 9 -4.257 15.632 6.640 1.00 0.00 C ATOM 124 C PRO A 9 -2.753 15.539 6.281 1.00 0.00 C ATOM 125 O PRO A 9 -2.057 16.557 6.244 1.00 0.00 O ATOM 126 CB PRO A 9 -4.509 15.044 8.049 1.00 0.00 C ATOM 127 CG PRO A 9 -5.908 14.533 7.984 1.00 0.00 C ATOM 128 CD PRO A 9 -6.078 13.996 6.582 1.00 0.00 C ATOM 0 HA PRO A 9 -4.493 16.692 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.803 14.246 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.397 15.803 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.075 13.752 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.626 15.327 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.840 12.933 6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.105 14.110 6.234 1.00 0.00 H new ATOM 136 N ILE A 10 -2.290 14.306 5.973 1.00 0.00 N ATOM 137 CA ILE A 10 -0.862 14.024 5.702 1.00 0.00 C ATOM 138 C ILE A 10 -0.415 14.749 4.417 1.00 0.00 C ATOM 139 O ILE A 10 0.558 15.491 4.438 1.00 0.00 O ATOM 140 CB ILE A 10 -0.556 12.477 5.562 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.129 11.662 6.769 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.966 12.227 5.383 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.555 12.030 8.130 1.00 0.00 C ATOM 0 H ILE A 10 -2.891 13.484 5.906 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.302 14.392 6.562 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.063 12.121 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.210 11.799 6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.947 10.602 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.150 11.157 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.315 12.736 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.503 12.613 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.016 11.410 8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.522 11.864 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.760 13.080 8.340 1.00 0.00 H new ATOM 155 N PHE A 11 -1.190 14.560 3.331 1.00 0.00 N ATOM 156 CA PHE A 11 -0.888 15.141 2.010 1.00 0.00 C ATOM 157 C PHE A 11 -0.930 16.683 2.066 1.00 0.00 C ATOM 158 O PHE A 11 -0.094 17.350 1.458 1.00 0.00 O ATOM 159 CB PHE A 11 -1.876 14.611 0.926 1.00 0.00 C ATOM 160 CG PHE A 11 -1.629 13.174 0.441 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.735 12.087 1.307 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.308 12.913 -0.895 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.531 10.792 0.862 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.109 11.619 -1.336 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.224 10.559 -0.460 1.00 0.00 C ATOM 0 H PHE A 11 -2.043 14.000 3.346 1.00 0.00 H new ATOM 0 HA PHE A 11 0.120 14.832 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.889 14.671 1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.832 15.278 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.981 12.258 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.214 13.734 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.613 9.965 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.862 11.436 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.074 9.549 -0.811 1.00 0.00 H new ATOM 175 N ARG A 12 -1.896 17.243 2.818 1.00 0.00 N ATOM 176 CA ARG A 12 -2.004 18.704 2.999 1.00 0.00 C ATOM 177 C ARG A 12 -0.736 19.280 3.651 1.00 0.00 C ATOM 178 O ARG A 12 -0.247 20.322 3.227 1.00 0.00 O ATOM 179 CB ARG A 12 -3.252 19.079 3.836 1.00 0.00 C ATOM 180 CG ARG A 12 -4.595 18.809 3.127 1.00 0.00 C ATOM 181 CD ARG A 12 -5.812 19.181 3.991 1.00 0.00 C ATOM 182 NE ARG A 12 -7.071 18.792 3.344 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.284 19.282 3.626 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.456 20.230 4.532 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.333 18.792 2.991 1.00 0.00 N ATOM 0 H ARG A 12 -2.612 16.708 3.309 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.112 19.143 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.229 18.520 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.197 20.136 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.629 19.375 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.654 17.754 2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.734 18.691 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.814 20.255 4.176 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.016 18.083 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.653 20.606 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.392 20.585 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.211 18.053 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.266 19.153 3.193 1.00 0.00 H new ATOM 199 N GLN A 13 -0.203 18.587 4.671 1.00 0.00 N ATOM 200 CA GLN A 13 0.971 19.071 5.425 1.00 0.00 C ATOM 201 C GLN A 13 2.273 18.907 4.613 1.00 0.00 C ATOM 202 O GLN A 13 3.072 19.851 4.532 1.00 0.00 O ATOM 203 CB GLN A 13 1.072 18.359 6.802 1.00 0.00 C ATOM 204 CG GLN A 13 -0.137 18.608 7.734 1.00 0.00 C ATOM 205 CD GLN A 13 -0.399 20.091 8.048 1.00 0.00 C ATOM 206 OE1 GLN A 13 0.527 20.905 8.132 1.00 0.00 O ATOM 207 NE2 GLN A 13 -1.667 20.451 8.224 1.00 0.00 N ATOM 0 H GLN A 13 -0.565 17.690 4.994 1.00 0.00 H new ATOM 0 HA GLN A 13 0.835 20.137 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.175 17.286 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.979 18.693 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.029 18.183 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.025 18.073 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.410 19.756 8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.897 21.422 8.435 1.00 0.00 H new ATOM 216 N VAL A 14 2.470 17.707 4.018 1.00 0.00 N ATOM 217 CA VAL A 14 3.636 17.385 3.150 1.00 0.00 C ATOM 218 C VAL A 14 3.789 18.412 2.015 1.00 0.00 C ATOM 219 O VAL A 14 4.851 19.027 1.850 1.00 0.00 O ATOM 220 CB VAL A 14 3.503 15.940 2.530 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.583 15.667 1.442 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.554 14.862 3.633 1.00 0.00 C ATOM 0 H VAL A 14 1.822 16.927 4.125 1.00 0.00 H new ATOM 0 HA VAL A 14 4.523 17.422 3.783 1.00 0.00 H new ATOM 0 HB VAL A 14 2.531 15.890 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.452 14.661 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.479 16.393 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.575 15.756 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.460 13.874 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.503 14.930 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.734 15.020 4.334 1.00 0.00 H new ATOM 232 N PHE A 15 2.701 18.595 1.259 1.00 0.00 N ATOM 233 CA PHE A 15 2.669 19.495 0.096 1.00 0.00 C ATOM 234 C PHE A 15 2.422 20.956 0.519 1.00 0.00 C ATOM 235 O PHE A 15 2.409 21.846 -0.336 1.00 0.00 O ATOM 236 CB PHE A 15 1.598 19.006 -0.919 1.00 0.00 C ATOM 237 CG PHE A 15 1.918 17.643 -1.548 1.00 0.00 C ATOM 238 CD1 PHE A 15 1.550 16.449 -0.927 1.00 0.00 C ATOM 239 CD2 PHE A 15 2.603 17.561 -2.756 1.00 0.00 C ATOM 240 CE1 PHE A 15 1.844 15.226 -1.490 1.00 0.00 C ATOM 241 CE2 PHE A 15 2.895 16.338 -3.314 1.00 0.00 C ATOM 242 CZ PHE A 15 2.521 15.171 -2.681 1.00 0.00 C ATOM 0 H PHE A 15 1.814 18.123 1.435 1.00 0.00 H new ATOM 0 HA PHE A 15 3.644 19.469 -0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.634 18.946 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.497 19.747 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.023 16.484 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.908 18.466 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.542 14.315 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.422 16.291 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.761 14.215 -3.123 1.00 0.00 H new ATOM 252 N ASP A 16 2.193 21.179 1.842 1.00 0.00 N ATOM 253 CA ASP A 16 2.011 22.526 2.459 1.00 0.00 C ATOM 254 C ASP A 16 0.679 23.185 1.988 1.00 0.00 C ATOM 255 O ASP A 16 0.367 24.330 2.329 1.00 0.00 O ATOM 256 CB ASP A 16 3.257 23.430 2.175 1.00 0.00 C ATOM 257 CG ASP A 16 3.308 24.718 3.018 1.00 0.00 C ATOM 258 OD1 ASP A 16 3.684 24.638 4.212 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.994 25.819 2.500 1.00 0.00 O ATOM 0 H ASP A 16 2.129 20.420 2.520 1.00 0.00 H new ATOM 0 HA ASP A 16 1.934 22.408 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.162 22.851 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.263 23.700 1.119 1.00 0.00 H new ATOM 264 N ASP A 17 -0.136 22.389 1.279 1.00 0.00 N ATOM 265 CA ASP A 17 -1.311 22.855 0.526 1.00 0.00 C ATOM 266 C ASP A 17 -2.599 22.718 1.367 1.00 0.00 C ATOM 267 O ASP A 17 -2.623 22.013 2.376 1.00 0.00 O ATOM 268 CB ASP A 17 -1.405 22.042 -0.800 1.00 0.00 C ATOM 269 CG ASP A 17 -2.445 22.591 -1.795 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.146 23.574 -2.505 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.573 22.071 -1.848 1.00 0.00 O ATOM 0 H ASP A 17 0.007 21.381 1.212 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.202 23.914 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.426 22.033 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.653 21.007 -0.564 1.00 0.00 H new ATOM 276 N ASP A 18 -3.668 23.373 0.911 1.00 0.00 N ATOM 277 CA ASP A 18 -4.966 23.452 1.616 1.00 0.00 C ATOM 278 C ASP A 18 -6.039 22.677 0.834 1.00 0.00 C ATOM 279 O ASP A 18 -6.837 21.928 1.410 1.00 0.00 O ATOM 280 CB ASP A 18 -5.377 24.945 1.765 1.00 0.00 C ATOM 281 CG ASP A 18 -6.798 25.165 2.333 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.987 25.053 3.565 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.731 25.476 1.547 1.00 0.00 O ATOM 0 H ASP A 18 -3.664 23.876 0.024 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.872 23.005 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.658 25.443 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.311 25.426 0.789 1.00 0.00 H new ATOM 288 N SER A 19 -5.997 22.826 -0.498 1.00 0.00 N ATOM 289 CA SER A 19 -7.082 22.412 -1.408 1.00 0.00 C ATOM 290 C SER A 19 -7.054 20.899 -1.723 1.00 0.00 C ATOM 291 O SER A 19 -7.961 20.393 -2.397 1.00 0.00 O ATOM 292 CB SER A 19 -7.010 23.246 -2.712 1.00 0.00 C ATOM 293 OG SER A 19 -7.081 24.636 -2.440 1.00 0.00 O ATOM 0 H SER A 19 -5.201 23.242 -0.982 1.00 0.00 H new ATOM 0 HA SER A 19 -8.028 22.601 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.081 23.023 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.828 22.961 -3.374 1.00 0.00 H new ATOM 0 HG SER A 19 -7.031 25.137 -3.281 1.00 0.00 H new ATOM 299 N ILE A 20 -6.011 20.183 -1.247 1.00 0.00 N ATOM 300 CA ILE A 20 -5.914 18.719 -1.399 1.00 0.00 C ATOM 301 C ILE A 20 -7.024 18.021 -0.575 1.00 0.00 C ATOM 302 O ILE A 20 -6.991 18.025 0.653 1.00 0.00 O ATOM 303 CB ILE A 20 -4.497 18.158 -0.974 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.371 18.719 -1.901 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.477 16.603 -0.969 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.962 18.221 -1.581 1.00 0.00 C ATOM 0 H ILE A 20 -5.223 20.600 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.047 18.500 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.305 18.497 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.607 18.458 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.378 19.807 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.488 16.253 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.220 16.232 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.708 16.233 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.252 18.666 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.698 18.506 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.930 17.135 -1.674 1.00 0.00 H new ATOM 318 N VAL A 21 -8.012 17.460 -1.281 1.00 0.00 N ATOM 319 CA VAL A 21 -9.065 16.612 -0.707 1.00 0.00 C ATOM 320 C VAL A 21 -9.076 15.320 -1.540 1.00 0.00 C ATOM 321 O VAL A 21 -9.619 15.300 -2.653 1.00 0.00 O ATOM 322 CB VAL A 21 -10.486 17.297 -0.727 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.539 16.410 -0.020 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.447 18.720 -0.108 1.00 0.00 C ATOM 0 H VAL A 21 -8.105 17.585 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.852 16.422 0.345 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.781 17.406 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.510 16.905 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.607 15.449 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.243 16.250 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.444 19.158 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.112 18.657 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.758 19.345 -0.676 1.00 0.00 H new ATOM 334 N LEU A 22 -8.422 14.279 -1.006 1.00 0.00 N ATOM 335 CA LEU A 22 -8.053 13.059 -1.759 1.00 0.00 C ATOM 336 C LEU A 22 -9.241 12.305 -2.370 1.00 0.00 C ATOM 337 O LEU A 22 -10.323 12.236 -1.794 1.00 0.00 O ATOM 338 CB LEU A 22 -7.265 12.102 -0.841 1.00 0.00 C ATOM 339 CG LEU A 22 -5.907 12.648 -0.320 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.247 11.636 0.625 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.966 13.025 -1.491 1.00 0.00 C ATOM 0 H LEU A 22 -8.129 14.254 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.444 13.401 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.890 11.851 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.081 11.175 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.101 13.560 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.297 12.036 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.903 11.451 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.071 10.702 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.024 13.404 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.774 12.143 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.437 13.794 -2.103 1.00 0.00 H new ATOM 353 N THR A 23 -8.987 11.727 -3.551 1.00 0.00 N ATOM 354 CA THR A 23 -9.875 10.769 -4.215 1.00 0.00 C ATOM 355 C THR A 23 -9.007 9.631 -4.778 1.00 0.00 C ATOM 356 O THR A 23 -7.764 9.731 -4.802 1.00 0.00 O ATOM 357 CB THR A 23 -10.727 11.425 -5.361 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.873 12.120 -6.277 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.804 12.386 -4.828 1.00 0.00 C ATOM 0 H THR A 23 -8.138 11.918 -4.082 1.00 0.00 H new ATOM 0 HA THR A 23 -10.590 10.392 -3.484 1.00 0.00 H new ATOM 0 HB THR A 23 -11.242 10.612 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.961 12.143 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.361 12.809 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.487 11.842 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.328 13.190 -4.266 1.00 0.00 H new ATOM 367 N ARG A 24 -9.669 8.557 -5.225 1.00 0.00 N ATOM 368 CA ARG A 24 -9.002 7.368 -5.779 1.00 0.00 C ATOM 369 C ARG A 24 -8.126 7.700 -7.005 1.00 0.00 C ATOM 370 O ARG A 24 -7.049 7.140 -7.161 1.00 0.00 O ATOM 371 CB ARG A 24 -10.054 6.291 -6.158 1.00 0.00 C ATOM 372 CG ARG A 24 -10.845 5.718 -4.957 1.00 0.00 C ATOM 373 CD ARG A 24 -11.970 4.758 -5.383 1.00 0.00 C ATOM 374 NE ARG A 24 -12.700 4.209 -4.220 1.00 0.00 N ATOM 375 CZ ARG A 24 -12.838 2.911 -3.934 1.00 0.00 C ATOM 376 NH1 ARG A 24 -12.275 1.976 -4.697 1.00 0.00 N ATOM 377 NH2 ARG A 24 -13.528 2.544 -2.862 1.00 0.00 N ATOM 0 H ARG A 24 -10.686 8.486 -5.213 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.342 6.982 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.759 6.723 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.549 5.471 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.158 5.193 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.274 6.541 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.668 5.284 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.547 3.939 -5.965 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.134 4.877 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.728 2.246 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.391 0.990 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.950 3.251 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.636 1.555 -2.639 1.00 0.00 H new ATOM 391 N GLU A 25 -8.583 8.629 -7.858 1.00 0.00 N ATOM 392 CA GLU A 25 -7.942 8.897 -9.161 1.00 0.00 C ATOM 393 C GLU A 25 -6.939 10.077 -9.104 1.00 0.00 C ATOM 394 O GLU A 25 -6.360 10.431 -10.138 1.00 0.00 O ATOM 395 CB GLU A 25 -9.049 9.145 -10.220 1.00 0.00 C ATOM 396 CG GLU A 25 -10.055 7.977 -10.354 1.00 0.00 C ATOM 397 CD GLU A 25 -11.234 8.280 -11.289 1.00 0.00 C ATOM 398 OE1 GLU A 25 -12.214 8.918 -10.836 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.198 7.890 -12.483 1.00 0.00 O ATOM 0 H GLU A 25 -9.399 9.212 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.352 8.024 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.593 10.053 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.580 9.322 -11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.528 7.096 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.442 7.727 -9.366 1.00 0.00 H new ATOM 406 N THR A 26 -6.755 10.693 -7.912 1.00 0.00 N ATOM 407 CA THR A 26 -5.739 11.756 -7.701 1.00 0.00 C ATOM 408 C THR A 26 -4.301 11.220 -7.955 1.00 0.00 C ATOM 409 O THR A 26 -3.683 10.625 -7.075 1.00 0.00 O ATOM 410 CB THR A 26 -5.837 12.348 -6.248 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.193 12.709 -5.956 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.933 13.586 -6.049 1.00 0.00 C ATOM 0 H THR A 26 -7.299 10.472 -7.078 1.00 0.00 H new ATOM 0 HA THR A 26 -5.946 12.549 -8.419 1.00 0.00 H new ATOM 0 HB THR A 26 -5.493 11.570 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.209 13.348 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.040 13.954 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.894 13.310 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.227 14.368 -6.749 1.00 0.00 H new ATOM 420 N SER A 27 -3.810 11.395 -9.182 1.00 0.00 N ATOM 421 CA SER A 27 -2.444 10.989 -9.573 1.00 0.00 C ATOM 422 C SER A 27 -1.464 12.170 -9.385 1.00 0.00 C ATOM 423 O SER A 27 -1.884 13.305 -9.113 1.00 0.00 O ATOM 424 CB SER A 27 -2.453 10.510 -11.051 1.00 0.00 C ATOM 425 OG SER A 27 -3.476 9.542 -11.280 1.00 0.00 O ATOM 0 H SER A 27 -4.343 11.822 -9.940 1.00 0.00 H new ATOM 0 HA SER A 27 -2.111 10.168 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.605 11.364 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.483 10.082 -11.302 1.00 0.00 H new ATOM 0 HG SER A 27 -4.249 9.976 -11.697 1.00 0.00 H new ATOM 431 N ALA A 28 -0.152 11.896 -9.511 1.00 0.00 N ATOM 432 CA ALA A 28 0.884 12.954 -9.585 1.00 0.00 C ATOM 433 C ALA A 28 0.773 13.778 -10.888 1.00 0.00 C ATOM 434 O ALA A 28 1.416 14.817 -11.035 1.00 0.00 O ATOM 435 CB ALA A 28 2.279 12.339 -9.425 1.00 0.00 C ATOM 0 H ALA A 28 0.221 10.948 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 28 0.717 13.649 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.032 13.125 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.348 11.839 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.451 11.615 -10.221 1.00 0.00 H new ATOM 441 N ASN A 29 -0.040 13.275 -11.832 1.00 0.00 N ATOM 442 CA ASN A 29 -0.399 13.990 -13.068 1.00 0.00 C ATOM 443 C ASN A 29 -1.521 15.023 -12.795 1.00 0.00 C ATOM 444 O ASN A 29 -1.673 15.995 -13.541 1.00 0.00 O ATOM 445 CB ASN A 29 -0.830 12.958 -14.148 1.00 0.00 C ATOM 446 CG ASN A 29 -1.127 13.558 -15.535 1.00 0.00 C ATOM 447 OD1 ASN A 29 -1.999 13.072 -16.255 1.00 0.00 O ATOM 448 ND2 ASN A 29 -0.383 14.582 -15.940 1.00 0.00 N ATOM 0 H ASN A 29 -0.470 12.353 -11.758 1.00 0.00 H new ATOM 0 HA ASN A 29 0.467 14.542 -13.435 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.042 12.212 -14.252 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.719 12.435 -13.796 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.528 14.983 -16.866 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.333 14.967 -15.324 1.00 0.00 H new ATOM 455 N ASP A 30 -2.308 14.802 -11.718 1.00 0.00 N ATOM 456 CA ASP A 30 -3.392 15.724 -11.287 1.00 0.00 C ATOM 457 C ASP A 30 -2.872 16.852 -10.381 1.00 0.00 C ATOM 458 O ASP A 30 -3.554 17.865 -10.201 1.00 0.00 O ATOM 459 CB ASP A 30 -4.521 14.945 -10.558 1.00 0.00 C ATOM 460 CG ASP A 30 -5.235 13.954 -11.488 1.00 0.00 C ATOM 461 OD1 ASP A 30 -4.750 12.817 -11.653 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.269 14.312 -12.089 1.00 0.00 O ATOM 0 H ASP A 30 -2.212 13.981 -11.121 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.793 16.181 -12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.099 14.406 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.247 15.652 -10.157 1.00 0.00 H new ATOM 467 N ILE A 31 -1.669 16.673 -9.804 1.00 0.00 N ATOM 468 CA ILE A 31 -1.041 17.669 -8.904 1.00 0.00 C ATOM 469 C ILE A 31 0.337 18.047 -9.480 1.00 0.00 C ATOM 470 O ILE A 31 1.219 17.189 -9.581 1.00 0.00 O ATOM 471 CB ILE A 31 -0.886 17.114 -7.425 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.274 16.690 -6.825 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.180 18.152 -6.503 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.223 16.181 -5.385 1.00 0.00 C ATOM 0 H ILE A 31 -1.103 15.837 -9.946 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.684 18.547 -8.848 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.257 16.225 -7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.949 17.545 -6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.704 15.911 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.089 17.742 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.812 18.372 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.769 19.069 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.228 15.913 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.578 15.304 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.827 16.963 -4.737 1.00 0.00 H new ATOM 486 N ASP A 32 0.514 19.330 -9.870 1.00 0.00 N ATOM 487 CA ASP A 32 1.774 19.805 -10.494 1.00 0.00 C ATOM 488 C ASP A 32 2.896 19.929 -9.450 1.00 0.00 C ATOM 489 O ASP A 32 4.077 19.757 -9.780 1.00 0.00 O ATOM 490 CB ASP A 32 1.581 21.148 -11.262 1.00 0.00 C ATOM 491 CG ASP A 32 1.234 22.353 -10.370 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.153 22.976 -9.793 1.00 0.00 O ATOM 493 OD2 ASP A 32 0.037 22.694 -10.249 1.00 0.00 O ATOM 0 H ASP A 32 -0.196 20.054 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 32 2.068 19.054 -11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.495 21.371 -11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.789 21.019 -12.000 1.00 0.00 H new ATOM 498 N ALA A 33 2.511 20.228 -8.194 1.00 0.00 N ATOM 499 CA ALA A 33 3.443 20.308 -7.049 1.00 0.00 C ATOM 500 C ALA A 33 4.060 18.934 -6.737 1.00 0.00 C ATOM 501 O ALA A 33 5.159 18.854 -6.177 1.00 0.00 O ATOM 502 CB ALA A 33 2.717 20.860 -5.811 1.00 0.00 C ATOM 0 H ALA A 33 1.542 20.422 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 33 4.252 20.987 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.414 20.914 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.333 21.857 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.889 20.201 -5.551 1.00 0.00 H new ATOM 508 N TRP A 34 3.330 17.865 -7.097 1.00 0.00 N ATOM 509 CA TRP A 34 3.775 16.485 -6.903 1.00 0.00 C ATOM 510 C TRP A 34 4.835 16.142 -7.967 1.00 0.00 C ATOM 511 O TRP A 34 4.550 16.142 -9.162 1.00 0.00 O ATOM 512 CB TRP A 34 2.551 15.515 -6.989 1.00 0.00 C ATOM 513 CG TRP A 34 2.677 14.222 -6.212 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.819 13.632 -5.746 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.598 13.356 -5.819 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.510 12.485 -5.066 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.160 12.290 -5.105 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.212 13.395 -6.000 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.394 11.258 -4.578 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.552 12.374 -5.478 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.041 11.318 -4.771 1.00 0.00 C ATOM 0 H TRP A 34 2.411 17.940 -7.533 1.00 0.00 H new ATOM 0 HA TRP A 34 4.223 16.372 -5.916 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.667 16.045 -6.635 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.378 15.271 -8.037 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.818 14.015 -5.893 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.182 11.873 -4.603 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.250 14.209 -6.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.848 10.441 -4.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.623 12.387 -5.615 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.585 10.534 -4.370 1.00 0.00 H new ATOM 532 N ASP A 35 6.062 15.898 -7.498 1.00 0.00 N ATOM 533 CA ASP A 35 7.207 15.428 -8.305 1.00 0.00 C ATOM 534 C ASP A 35 7.870 14.266 -7.555 1.00 0.00 C ATOM 535 O ASP A 35 7.448 13.956 -6.436 1.00 0.00 O ATOM 536 CB ASP A 35 8.219 16.579 -8.549 1.00 0.00 C ATOM 537 CG ASP A 35 7.726 17.590 -9.598 1.00 0.00 C ATOM 538 OD1 ASP A 35 6.992 18.535 -9.240 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.069 17.441 -10.790 1.00 0.00 O ATOM 0 H ASP A 35 6.300 16.024 -6.514 1.00 0.00 H new ATOM 0 HA ASP A 35 6.862 15.092 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.406 17.099 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.170 16.158 -8.875 1.00 0.00 H new ATOM 544 N SER A 36 8.895 13.618 -8.165 1.00 0.00 N ATOM 545 CA SER A 36 9.631 12.466 -7.558 1.00 0.00 C ATOM 546 C SER A 36 10.106 12.788 -6.124 1.00 0.00 C ATOM 547 O SER A 36 10.069 11.945 -5.221 1.00 0.00 O ATOM 548 CB SER A 36 10.858 12.105 -8.444 1.00 0.00 C ATOM 549 OG SER A 36 10.546 12.193 -9.847 1.00 0.00 O ATOM 0 H SER A 36 9.238 13.875 -9.090 1.00 0.00 H new ATOM 0 HA SER A 36 8.946 11.620 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.685 12.777 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.193 11.095 -8.208 1.00 0.00 H new ATOM 554 N LEU A 37 10.541 14.039 -5.962 1.00 0.00 N ATOM 555 CA LEU A 37 11.023 14.587 -4.688 1.00 0.00 C ATOM 556 C LEU A 37 9.880 14.670 -3.648 1.00 0.00 C ATOM 557 O LEU A 37 10.076 14.358 -2.470 1.00 0.00 O ATOM 558 CB LEU A 37 11.675 15.987 -4.913 1.00 0.00 C ATOM 559 CG LEU A 37 12.993 16.041 -5.763 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.060 15.063 -5.228 1.00 0.00 C ATOM 561 CD2 LEU A 37 12.731 15.833 -7.274 1.00 0.00 C ATOM 0 H LEU A 37 10.570 14.714 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 37 11.781 13.912 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.937 16.629 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.886 16.421 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 37 13.392 17.049 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.957 15.131 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.306 15.321 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.671 14.045 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.675 15.879 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.269 14.859 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.064 16.614 -7.639 1.00 0.00 H new ATOM 573 N SER A 38 8.688 15.079 -4.111 1.00 0.00 N ATOM 574 CA SER A 38 7.481 15.195 -3.265 1.00 0.00 C ATOM 575 C SER A 38 6.941 13.800 -2.863 1.00 0.00 C ATOM 576 O SER A 38 6.326 13.661 -1.804 1.00 0.00 O ATOM 577 CB SER A 38 6.402 15.990 -4.020 1.00 0.00 C ATOM 578 OG SER A 38 6.930 17.193 -4.556 1.00 0.00 O ATOM 0 H SER A 38 8.530 15.340 -5.084 1.00 0.00 H new ATOM 0 HA SER A 38 7.747 15.722 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.993 15.379 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.578 16.221 -3.345 1.00 0.00 H new ATOM 0 HG SER A 38 6.238 17.651 -5.077 1.00 0.00 H new ATOM 584 N HIS A 39 7.152 12.789 -3.741 1.00 0.00 N ATOM 585 CA HIS A 39 6.852 11.369 -3.434 1.00 0.00 C ATOM 586 C HIS A 39 7.664 10.892 -2.228 1.00 0.00 C ATOM 587 O HIS A 39 7.128 10.248 -1.335 1.00 0.00 O ATOM 588 CB HIS A 39 7.142 10.439 -4.646 1.00 0.00 C ATOM 589 CG HIS A 39 6.136 10.542 -5.749 1.00 0.00 C ATOM 590 ND1 HIS A 39 6.170 11.255 -6.892 1.00 0.00 N flip ATOM 591 CD2 HIS A 39 4.969 9.838 -5.697 1.00 0.00 C flip ATOM 592 CE1 HIS A 39 5.010 10.991 -7.557 1.00 0.00 C flip ATOM 593 NE2 HIS A 39 4.329 10.131 -6.801 1.00 0.00 N flip ATOM 0 H HIS A 39 7.533 12.934 -4.676 1.00 0.00 H new ATOM 0 HA HIS A 39 5.788 11.314 -3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.128 10.676 -5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.179 9.407 -4.298 1.00 0.00 H new ATOM 0 HD1 HIS A 39 6.920 11.874 -7.200 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.641 9.176 -4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.703 11.399 -8.509 1.00 0.00 H new ATOM 601 N MET A 40 8.965 11.230 -2.226 1.00 0.00 N ATOM 602 CA MET A 40 9.888 10.855 -1.140 1.00 0.00 C ATOM 603 C MET A 40 9.418 11.452 0.200 1.00 0.00 C ATOM 604 O MET A 40 9.353 10.748 1.204 1.00 0.00 O ATOM 605 CB MET A 40 11.332 11.310 -1.471 1.00 0.00 C ATOM 606 CG MET A 40 11.960 10.580 -2.671 1.00 0.00 C ATOM 607 SD MET A 40 12.040 8.781 -2.434 1.00 0.00 S ATOM 608 CE MET A 40 13.040 8.631 -0.945 1.00 0.00 C ATOM 0 H MET A 40 9.405 11.768 -2.973 1.00 0.00 H new ATOM 0 HA MET A 40 9.888 9.769 -1.046 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.327 12.381 -1.673 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.961 11.154 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.380 10.799 -3.568 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.966 10.965 -2.840 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.371 7.599 -0.832 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.909 9.284 -1.023 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.446 8.919 -0.077 1.00 0.00 H new ATOM 618 N ASN A 41 9.045 12.745 0.162 1.00 0.00 N ATOM 619 CA ASN A 41 8.515 13.487 1.334 1.00 0.00 C ATOM 620 C ASN A 41 7.204 12.854 1.853 1.00 0.00 C ATOM 621 O ASN A 41 7.025 12.665 3.061 1.00 0.00 O ATOM 622 CB ASN A 41 8.271 14.977 0.956 1.00 0.00 C ATOM 623 CG ASN A 41 9.552 15.756 0.653 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.557 15.193 0.230 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.518 17.064 0.866 1.00 0.00 N ATOM 0 H ASN A 41 9.101 13.312 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 41 9.257 13.432 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.617 15.018 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.744 15.468 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.343 17.633 0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.667 17.501 1.218 1.00 0.00 H new ATOM 632 N LEU A 42 6.304 12.520 0.914 1.00 0.00 N ATOM 633 CA LEU A 42 4.973 11.963 1.219 1.00 0.00 C ATOM 634 C LEU A 42 5.097 10.568 1.861 1.00 0.00 C ATOM 635 O LEU A 42 4.449 10.280 2.875 1.00 0.00 O ATOM 636 CB LEU A 42 4.116 11.948 -0.093 1.00 0.00 C ATOM 637 CG LEU A 42 2.584 11.615 0.017 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.304 10.100 0.087 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.938 12.364 1.202 1.00 0.00 C ATOM 0 H LEU A 42 6.479 12.629 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 42 4.464 12.590 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.210 12.928 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.565 11.225 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 42 2.120 11.968 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.230 9.932 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.685 9.618 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.799 9.679 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.878 12.116 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.427 12.068 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.052 13.439 1.059 1.00 0.00 H new ATOM 651 N ILE A 43 5.951 9.729 1.271 1.00 0.00 N ATOM 652 CA ILE A 43 6.124 8.333 1.688 1.00 0.00 C ATOM 653 C ILE A 43 6.793 8.262 3.075 1.00 0.00 C ATOM 654 O ILE A 43 6.301 7.534 3.932 1.00 0.00 O ATOM 655 CB ILE A 43 6.899 7.483 0.588 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.914 6.854 -0.461 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.795 6.386 1.202 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.032 7.825 -1.226 1.00 0.00 C ATOM 0 H ILE A 43 6.545 9.999 0.487 1.00 0.00 H new ATOM 0 HA ILE A 43 5.138 7.877 1.781 1.00 0.00 H new ATOM 0 HB ILE A 43 7.551 8.188 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.501 6.285 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.270 6.144 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.298 5.839 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.539 6.846 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.181 5.698 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.397 7.272 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.408 8.379 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.657 8.522 -1.784 1.00 0.00 H new ATOM 670 N VAL A 44 7.872 9.054 3.311 1.00 0.00 N ATOM 671 CA VAL A 44 8.574 9.050 4.618 1.00 0.00 C ATOM 672 C VAL A 44 7.656 9.552 5.754 1.00 0.00 C ATOM 673 O VAL A 44 7.826 9.158 6.911 1.00 0.00 O ATOM 674 CB VAL A 44 9.922 9.853 4.610 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.931 9.252 3.597 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.704 11.366 4.359 1.00 0.00 C ATOM 0 H VAL A 44 8.269 9.694 2.623 1.00 0.00 H new ATOM 0 HA VAL A 44 8.833 8.008 4.805 1.00 0.00 H new ATOM 0 HB VAL A 44 10.352 9.758 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.854 9.831 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.146 8.218 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.503 9.284 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.666 11.878 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.221 11.509 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.071 11.778 5.145 1.00 0.00 H new ATOM 686 N SER A 45 6.694 10.421 5.398 1.00 0.00 N ATOM 687 CA SER A 45 5.619 10.841 6.309 1.00 0.00 C ATOM 688 C SER A 45 4.714 9.647 6.682 1.00 0.00 C ATOM 689 O SER A 45 4.376 9.471 7.851 1.00 0.00 O ATOM 690 CB SER A 45 4.790 11.972 5.681 1.00 0.00 C ATOM 691 OG SER A 45 5.578 13.127 5.490 1.00 0.00 O ATOM 0 H SER A 45 6.641 10.850 4.474 1.00 0.00 H new ATOM 0 HA SER A 45 6.078 11.216 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.383 11.642 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.942 12.207 6.324 1.00 0.00 H new ATOM 0 HG SER A 45 6.104 13.032 4.669 1.00 0.00 H new ATOM 697 N LEU A 46 4.353 8.810 5.694 1.00 0.00 N ATOM 698 CA LEU A 46 3.504 7.622 5.939 1.00 0.00 C ATOM 699 C LEU A 46 4.269 6.565 6.769 1.00 0.00 C ATOM 700 O LEU A 46 3.668 5.872 7.603 1.00 0.00 O ATOM 701 CB LEU A 46 2.997 7.002 4.608 1.00 0.00 C ATOM 702 CG LEU A 46 2.216 7.956 3.646 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.679 7.200 2.410 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.083 8.697 4.379 1.00 0.00 C ATOM 0 H LEU A 46 4.633 8.930 4.720 1.00 0.00 H new ATOM 0 HA LEU A 46 2.634 7.951 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.856 6.603 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.351 6.158 4.849 1.00 0.00 H new ATOM 0 HG LEU A 46 2.924 8.705 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.142 7.894 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.513 6.763 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.003 6.408 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.563 9.350 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.380 7.972 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.503 9.294 5.189 1.00 0.00 H new ATOM 716 N GLU A 47 5.600 6.488 6.541 1.00 0.00 N ATOM 717 CA GLU A 47 6.513 5.570 7.254 1.00 0.00 C ATOM 718 C GLU A 47 6.443 5.816 8.766 1.00 0.00 C ATOM 719 O GLU A 47 6.169 4.909 9.540 1.00 0.00 O ATOM 720 CB GLU A 47 7.983 5.776 6.774 1.00 0.00 C ATOM 721 CG GLU A 47 8.261 5.476 5.287 1.00 0.00 C ATOM 722 CD GLU A 47 8.257 3.990 4.925 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.019 3.223 5.558 1.00 0.00 O ATOM 724 OE2 GLU A 47 7.554 3.595 3.973 1.00 0.00 O ATOM 0 H GLU A 47 6.074 7.068 5.849 1.00 0.00 H new ATOM 0 HA GLU A 47 6.201 4.549 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.267 6.809 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.633 5.143 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.512 5.986 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.229 5.899 5.020 1.00 0.00 H new ATOM 731 N VAL A 48 6.708 7.067 9.165 1.00 0.00 N ATOM 732 CA VAL A 48 6.779 7.456 10.579 1.00 0.00 C ATOM 733 C VAL A 48 5.388 7.562 11.252 1.00 0.00 C ATOM 734 O VAL A 48 5.233 7.145 12.405 1.00 0.00 O ATOM 735 CB VAL A 48 7.584 8.793 10.755 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.063 8.599 10.343 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.948 9.964 9.972 1.00 0.00 C ATOM 0 H VAL A 48 6.879 7.836 8.518 1.00 0.00 H new ATOM 0 HA VAL A 48 7.311 6.653 11.090 1.00 0.00 H new ATOM 0 HB VAL A 48 7.546 9.055 11.812 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.603 9.537 10.473 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.517 7.830 10.968 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.112 8.293 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.539 10.867 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.924 9.721 8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.932 10.131 10.329 1.00 0.00 H new ATOM 747 N HIS A 49 4.388 8.126 10.536 1.00 0.00 N ATOM 748 CA HIS A 49 3.027 8.340 11.093 1.00 0.00 C ATOM 749 C HIS A 49 2.303 7.006 11.356 1.00 0.00 C ATOM 750 O HIS A 49 1.810 6.776 12.466 1.00 0.00 O ATOM 751 CB HIS A 49 2.169 9.261 10.168 1.00 0.00 C ATOM 752 CG HIS A 49 2.464 10.741 10.302 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.582 11.637 10.875 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.544 11.475 9.938 1.00 0.00 C ATOM 755 CE1 HIS A 49 2.108 12.849 10.855 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.298 12.776 10.292 1.00 0.00 N ATOM 0 H HIS A 49 4.495 8.442 9.572 1.00 0.00 H new ATOM 0 HA HIS A 49 3.151 8.846 12.051 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.330 8.964 9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.115 9.093 10.387 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.436 11.102 9.457 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.643 13.746 11.235 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.933 13.561 10.144 1.00 0.00 H new ATOM 765 N TYR A 50 2.258 6.131 10.337 1.00 0.00 N ATOM 766 CA TYR A 50 1.524 4.844 10.407 1.00 0.00 C ATOM 767 C TYR A 50 2.437 3.676 10.841 1.00 0.00 C ATOM 768 O TYR A 50 1.957 2.551 11.021 1.00 0.00 O ATOM 769 CB TYR A 50 0.858 4.548 9.038 1.00 0.00 C ATOM 770 CG TYR A 50 -0.143 5.628 8.600 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.492 5.559 8.970 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.268 6.733 7.855 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.385 6.550 8.611 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.626 7.721 7.491 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.946 7.625 7.872 1.00 0.00 C ATOM 776 OH TYR A 50 -2.827 8.619 7.524 1.00 0.00 O ATOM 0 H TYR A 50 2.725 6.289 9.444 1.00 0.00 H new ATOM 0 HA TYR A 50 0.752 4.937 11.170 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.634 4.452 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.345 3.588 9.092 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.841 4.715 9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.303 6.818 7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.421 6.482 8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.291 8.567 6.909 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.445 9.491 7.758 1.00 0.00 H new ATOM 786 N LYS A 51 3.749 3.978 11.031 1.00 0.00 N ATOM 787 CA LYS A 51 4.795 3.000 11.451 1.00 0.00 C ATOM 788 C LYS A 51 5.021 1.918 10.361 1.00 0.00 C ATOM 789 O LYS A 51 5.524 0.826 10.660 1.00 0.00 O ATOM 790 CB LYS A 51 4.504 2.335 12.847 1.00 0.00 C ATOM 791 CG LYS A 51 4.493 3.276 14.083 1.00 0.00 C ATOM 792 CD LYS A 51 3.250 4.186 14.139 1.00 0.00 C ATOM 793 CE LYS A 51 3.179 5.054 15.396 1.00 0.00 C ATOM 794 NZ LYS A 51 2.024 5.991 15.344 1.00 0.00 N ATOM 0 H LYS A 51 4.117 4.920 10.896 1.00 0.00 H new ATOM 0 HA LYS A 51 5.713 3.576 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.536 1.837 12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.252 1.560 13.017 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.537 2.674 14.991 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.389 3.896 14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.244 4.832 13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.355 3.567 14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.093 4.416 16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.104 5.620 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.212 6.809 15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.885 6.317 14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.166 5.503 15.671 1.00 0.00 H new ATOM 808 N ILE A 52 4.715 2.255 9.089 1.00 0.00 N ATOM 809 CA ILE A 52 4.646 1.270 7.981 1.00 0.00 C ATOM 810 C ILE A 52 5.901 1.351 7.102 1.00 0.00 C ATOM 811 O ILE A 52 6.786 2.166 7.365 1.00 0.00 O ATOM 812 CB ILE A 52 3.345 1.473 7.118 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.347 2.857 6.391 1.00 0.00 C ATOM 814 CG2 ILE A 52 2.095 1.311 8.011 1.00 0.00 C ATOM 815 CD1 ILE A 52 2.112 3.136 5.545 1.00 0.00 C ATOM 0 H ILE A 52 4.510 3.211 8.800 1.00 0.00 H new ATOM 0 HA ILE A 52 4.601 0.274 8.422 1.00 0.00 H new ATOM 0 HB ILE A 52 3.323 0.708 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.443 3.644 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.228 2.915 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.197 1.452 7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.086 0.312 8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.118 2.054 8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.203 4.118 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.022 2.375 4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.225 3.116 6.178 1.00 0.00 H new ATOM 827 N LYS A 53 5.973 0.482 6.071 1.00 0.00 N ATOM 828 CA LYS A 53 7.163 0.364 5.206 1.00 0.00 C ATOM 829 C LYS A 53 6.723 -0.015 3.774 1.00 0.00 C ATOM 830 O LYS A 53 6.146 -1.086 3.561 1.00 0.00 O ATOM 831 CB LYS A 53 8.143 -0.688 5.833 1.00 0.00 C ATOM 832 CG LYS A 53 9.607 -0.703 5.297 1.00 0.00 C ATOM 833 CD LYS A 53 9.795 -1.385 3.915 1.00 0.00 C ATOM 834 CE LYS A 53 9.380 -2.868 3.911 1.00 0.00 C ATOM 835 NZ LYS A 53 10.140 -3.663 4.911 1.00 0.00 N ATOM 0 H LYS A 53 5.215 -0.151 5.818 1.00 0.00 H new ATOM 0 HA LYS A 53 7.693 1.314 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.179 -0.518 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.717 -1.680 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.963 0.325 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.239 -1.212 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.209 -0.848 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.840 -1.306 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.313 -2.946 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.541 -3.287 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.904 -4.670 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.160 -3.529 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.889 -3.347 5.869 1.00 0.00 H new ATOM 849 N PHE A 54 6.979 0.887 2.814 1.00 0.00 N ATOM 850 CA PHE A 54 6.819 0.626 1.366 1.00 0.00 C ATOM 851 C PHE A 54 8.174 0.203 0.778 1.00 0.00 C ATOM 852 O PHE A 54 9.224 0.629 1.261 1.00 0.00 O ATOM 853 CB PHE A 54 6.325 1.886 0.600 1.00 0.00 C ATOM 854 CG PHE A 54 5.021 2.483 1.113 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.794 1.897 0.803 1.00 0.00 C ATOM 856 CD2 PHE A 54 5.022 3.644 1.885 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.608 2.456 1.256 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.843 4.198 2.327 1.00 0.00 C ATOM 859 CZ PHE A 54 2.638 3.608 2.013 1.00 0.00 C ATOM 0 H PHE A 54 7.307 1.831 3.019 1.00 0.00 H new ATOM 0 HA PHE A 54 6.074 -0.162 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.101 2.650 0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.199 1.627 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.767 0.999 0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.960 4.114 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.664 1.990 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.862 5.099 2.922 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.715 4.049 2.361 1.00 0.00 H new ATOM 869 N ALA A 55 8.143 -0.660 -0.238 1.00 0.00 N ATOM 870 CA ALA A 55 9.312 -0.949 -1.081 1.00 0.00 C ATOM 871 C ALA A 55 9.247 -0.078 -2.345 1.00 0.00 C ATOM 872 O ALA A 55 8.161 0.395 -2.706 1.00 0.00 O ATOM 873 CB ALA A 55 9.333 -2.442 -1.430 1.00 0.00 C ATOM 0 H ALA A 55 7.307 -1.181 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 55 10.233 -0.714 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.200 -2.657 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.392 -3.029 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.423 -2.702 -1.970 1.00 0.00 H new ATOM 879 N LEU A 56 10.397 0.152 -3.016 1.00 0.00 N ATOM 880 CA LEU A 56 10.439 0.890 -4.308 1.00 0.00 C ATOM 881 C LEU A 56 9.602 0.135 -5.374 1.00 0.00 C ATOM 882 O LEU A 56 8.974 0.759 -6.233 1.00 0.00 O ATOM 883 CB LEU A 56 11.924 1.118 -4.775 1.00 0.00 C ATOM 884 CG LEU A 56 12.283 2.547 -5.331 1.00 0.00 C ATOM 885 CD1 LEU A 56 13.788 2.659 -5.668 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.413 2.942 -6.550 1.00 0.00 C ATOM 0 H LEU A 56 11.311 -0.161 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 56 9.996 1.876 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.581 0.907 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.153 0.385 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 56 12.059 3.256 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.002 3.657 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.377 2.480 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.048 1.918 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.700 3.935 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.564 2.221 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.362 2.948 -6.260 1.00 0.00 H new ATOM 898 N GLY A 57 9.582 -1.212 -5.265 1.00 0.00 N ATOM 899 CA GLY A 57 8.701 -2.064 -6.071 1.00 0.00 C ATOM 900 C GLY A 57 7.211 -1.768 -5.854 1.00 0.00 C ATOM 901 O GLY A 57 6.408 -1.859 -6.788 1.00 0.00 O ATOM 0 H GLY A 57 10.176 -1.730 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.942 -1.930 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.896 -3.109 -5.830 1.00 0.00 H new ATOM 905 N GLU A 58 6.841 -1.421 -4.601 1.00 0.00 N ATOM 906 CA GLU A 58 5.455 -1.014 -4.256 1.00 0.00 C ATOM 907 C GLU A 58 5.139 0.381 -4.823 1.00 0.00 C ATOM 908 O GLU A 58 4.001 0.640 -5.228 1.00 0.00 O ATOM 909 CB GLU A 58 5.223 -1.027 -2.720 1.00 0.00 C ATOM 910 CG GLU A 58 5.429 -2.397 -2.056 1.00 0.00 C ATOM 911 CD GLU A 58 4.519 -3.497 -2.629 1.00 0.00 C ATOM 912 OE1 GLU A 58 3.339 -3.587 -2.216 1.00 0.00 O ATOM 913 OE2 GLU A 58 4.982 -4.280 -3.491 1.00 0.00 O ATOM 0 H GLU A 58 7.483 -1.414 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 58 4.781 -1.741 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.899 -0.308 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.208 -0.687 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.470 -2.698 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.245 -2.305 -0.986 1.00 0.00 H new ATOM 920 N LEU A 59 6.162 1.259 -4.867 1.00 0.00 N ATOM 921 CA LEU A 59 6.023 2.639 -5.386 1.00 0.00 C ATOM 922 C LEU A 59 5.751 2.627 -6.906 1.00 0.00 C ATOM 923 O LEU A 59 5.079 3.522 -7.436 1.00 0.00 O ATOM 924 CB LEU A 59 7.284 3.487 -5.059 1.00 0.00 C ATOM 925 CG LEU A 59 7.705 3.550 -3.554 1.00 0.00 C ATOM 926 CD1 LEU A 59 8.929 4.467 -3.349 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.525 3.967 -2.649 1.00 0.00 C ATOM 0 H LEU A 59 7.104 1.035 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 59 5.169 3.101 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.122 3.090 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.112 4.505 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 59 7.998 2.543 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.195 4.488 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.770 4.085 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.687 5.476 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.856 4.000 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.168 4.953 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.716 3.243 -2.749 1.00 0.00 H new ATOM 939 N GLN A 60 6.300 1.601 -7.596 1.00 0.00 N ATOM 940 CA GLN A 60 5.983 1.309 -9.013 1.00 0.00 C ATOM 941 C GLN A 60 4.477 1.044 -9.206 1.00 0.00 C ATOM 942 O GLN A 60 3.900 1.401 -10.234 1.00 0.00 O ATOM 943 CB GLN A 60 6.783 0.077 -9.528 1.00 0.00 C ATOM 944 CG GLN A 60 8.314 0.161 -9.360 1.00 0.00 C ATOM 945 CD GLN A 60 8.971 1.362 -10.049 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.493 1.864 -11.070 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.096 1.805 -9.514 1.00 0.00 N ATOM 0 H GLN A 60 6.974 0.954 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 60 6.269 2.189 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.426 -0.810 -9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.558 -0.064 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.547 0.198 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.759 -0.753 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.465 1.369 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.594 2.583 -9.946 1.00 0.00 H new ATOM 956 N LYS A 61 3.854 0.415 -8.203 1.00 0.00 N ATOM 957 CA LYS A 61 2.427 0.031 -8.255 1.00 0.00 C ATOM 958 C LYS A 61 1.504 1.163 -7.763 1.00 0.00 C ATOM 959 O LYS A 61 0.288 0.974 -7.678 1.00 0.00 O ATOM 960 CB LYS A 61 2.194 -1.257 -7.418 1.00 0.00 C ATOM 961 CG LYS A 61 3.021 -2.478 -7.877 1.00 0.00 C ATOM 962 CD LYS A 61 2.775 -2.873 -9.359 1.00 0.00 C ATOM 963 CE LYS A 61 1.312 -3.249 -9.668 1.00 0.00 C ATOM 964 NZ LYS A 61 1.121 -3.595 -11.103 1.00 0.00 N ATOM 0 H LYS A 61 4.318 0.156 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 61 2.175 -0.162 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.431 -1.045 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.136 -1.515 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.080 -2.262 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.783 -3.329 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.070 -2.043 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.418 -3.716 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.015 -4.095 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.659 -2.416 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.125 -3.842 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.380 -2.779 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.725 -4.406 -11.348 1.00 0.00 H new ATOM 978 N LEU A 62 2.078 2.332 -7.438 1.00 0.00 N ATOM 979 CA LEU A 62 1.305 3.518 -7.026 1.00 0.00 C ATOM 980 C LEU A 62 1.160 4.464 -8.236 1.00 0.00 C ATOM 981 O LEU A 62 2.102 5.178 -8.585 1.00 0.00 O ATOM 982 CB LEU A 62 1.997 4.227 -5.823 1.00 0.00 C ATOM 983 CG LEU A 62 2.292 3.337 -4.567 1.00 0.00 C ATOM 984 CD1 LEU A 62 2.987 4.151 -3.456 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.016 2.646 -4.033 1.00 0.00 C ATOM 0 H LEU A 62 3.087 2.483 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 62 0.311 3.218 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.939 4.650 -6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.369 5.062 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 62 2.975 2.550 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.178 3.506 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.931 4.546 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.343 4.977 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.268 2.040 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.284 3.402 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.595 2.008 -4.810 1.00 0.00 H new ATOM 997 N LYS A 63 0.004 4.390 -8.924 1.00 0.00 N ATOM 998 CA LYS A 63 -0.340 5.276 -10.059 1.00 0.00 C ATOM 999 C LYS A 63 -1.086 6.516 -9.528 1.00 0.00 C ATOM 1000 O LYS A 63 -0.992 7.608 -10.099 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.183 4.477 -11.112 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.459 5.177 -12.477 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.659 6.160 -12.467 1.00 0.00 C ATOM 1004 CE LYS A 63 -2.857 6.877 -13.814 1.00 0.00 C ATOM 1005 NZ LYS A 63 -3.970 7.862 -13.760 1.00 0.00 N ATOM 0 H LYS A 63 -0.724 3.709 -8.708 1.00 0.00 H new ATOM 0 HA LYS A 63 0.563 5.623 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.671 3.536 -11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.143 4.228 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.564 5.720 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.639 4.412 -13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.568 5.613 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.507 6.903 -11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.935 7.386 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.062 6.140 -14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.964 8.441 -14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.877 7.358 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.849 8.477 -12.930 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.808 6.334 -8.414 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.591 7.408 -7.772 1.00 0.00 C ATOM 1021 C ASN A 64 -2.809 7.118 -6.276 1.00 0.00 C ATOM 1022 O ASN A 64 -2.383 6.074 -5.773 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.939 7.620 -8.533 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.720 6.346 -8.892 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.782 5.374 -7.993 1.00 0.00 O flip ATOM 1026 ND2 ASN A 64 -5.304 6.258 -9.971 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.868 5.439 -7.929 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.026 8.338 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.581 8.256 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.731 8.166 -9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.242 7.019 -10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.850 5.424 -10.189 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.490 8.053 -5.579 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.765 7.955 -4.126 1.00 0.00 C ATOM 1035 C VAL A 65 -4.767 6.810 -3.812 1.00 0.00 C ATOM 1036 O VAL A 65 -4.861 6.352 -2.669 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.295 9.323 -3.543 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.424 9.270 -2.005 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.384 10.501 -3.954 1.00 0.00 C ATOM 0 H VAL A 65 -3.866 8.899 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.818 7.722 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.286 9.486 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.791 10.228 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.123 8.482 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.449 9.062 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.777 11.428 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.376 10.331 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.355 10.576 -5.041 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.482 6.332 -4.843 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.359 5.166 -4.708 1.00 0.00 C ATOM 1051 C GLY A 66 -5.566 3.887 -4.496 1.00 0.00 C ATOM 1052 O GLY A 66 -6.025 2.971 -3.811 1.00 0.00 O ATOM 0 H GLY A 66 -5.467 6.738 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.038 5.317 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.975 5.068 -5.602 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.354 3.840 -5.081 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.394 2.759 -4.823 1.00 0.00 C ATOM 1058 C ASP A 67 -2.881 2.849 -3.385 1.00 0.00 C ATOM 1059 O ASP A 67 -2.701 1.823 -2.747 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.214 2.793 -5.817 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.647 2.498 -7.262 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.917 1.318 -7.580 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.729 3.433 -8.082 1.00 0.00 O ATOM 0 H ASP A 67 -4.019 4.544 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.912 1.810 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.739 3.773 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.465 2.063 -5.510 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.654 4.088 -2.881 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.293 4.332 -1.456 1.00 0.00 C ATOM 1070 C LEU A 68 -3.455 3.963 -0.515 1.00 0.00 C ATOM 1071 O LEU A 68 -3.218 3.580 0.628 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.864 5.817 -1.184 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.410 6.226 -1.574 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.628 5.311 -0.894 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.223 6.288 -3.102 1.00 0.00 C ATOM 0 H LEU A 68 -2.714 4.939 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.437 3.689 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.553 6.470 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.997 6.017 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.240 7.236 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.632 5.621 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.525 5.385 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.462 4.279 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.803 6.576 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.430 5.309 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.909 7.023 -3.523 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.704 4.097 -0.990 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.891 3.736 -0.195 1.00 0.00 C ATOM 1089 C ALA A 69 -5.850 2.238 0.140 1.00 0.00 C ATOM 1090 O ALA A 69 -5.924 1.845 1.308 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.182 4.100 -0.944 1.00 0.00 C ATOM 0 H ALA A 69 -4.919 4.453 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.882 4.304 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.045 3.824 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.201 5.173 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.217 3.562 -1.891 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.674 1.421 -0.909 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.568 -0.043 -0.785 1.00 0.00 C ATOM 1099 C ASP A 70 -4.245 -0.469 -0.112 1.00 0.00 C ATOM 1100 O ASP A 70 -4.252 -1.386 0.707 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.718 -0.712 -2.173 1.00 0.00 C ATOM 1102 CG ASP A 70 -7.144 -0.585 -2.734 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.446 0.436 -3.387 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -7.980 -1.496 -2.510 1.00 0.00 O ATOM 0 H ASP A 70 -5.601 1.756 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.380 -0.381 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.014 -0.257 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.454 -1.767 -2.095 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.132 0.234 -0.435 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.756 -0.149 0.015 1.00 0.00 C ATOM 1111 C LEU A 71 -1.623 0.062 1.538 1.00 0.00 C ATOM 1112 O LEU A 71 -1.244 -0.854 2.273 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.638 0.663 -0.759 1.00 0.00 C ATOM 1114 CG LEU A 71 0.631 -0.123 -1.242 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.356 -0.840 -0.091 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.278 -1.098 -2.384 1.00 0.00 C ATOM 0 H LEU A 71 -3.154 1.077 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.608 -1.204 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.101 1.122 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.304 1.474 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 71 1.331 0.616 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.226 -1.368 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.678 -0.107 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.678 -1.554 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.176 -1.629 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.464 -1.815 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.128 -0.539 -3.227 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.947 1.286 1.998 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.902 1.640 3.425 1.00 0.00 C ATOM 1130 C VAL A 72 -2.964 0.826 4.210 1.00 0.00 C ATOM 1131 O VAL A 72 -2.747 0.519 5.366 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.051 3.200 3.663 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.927 3.574 5.167 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.012 3.999 2.822 1.00 0.00 C ATOM 0 H VAL A 72 -2.245 2.051 1.393 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.917 1.374 3.807 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.053 3.475 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.035 4.652 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.708 3.067 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.950 3.265 5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.138 5.066 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.004 3.698 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.165 3.793 1.763 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.089 0.429 3.546 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.111 -0.490 4.149 1.00 0.00 C ATOM 1146 C ASP A 73 -4.507 -1.886 4.421 1.00 0.00 C ATOM 1147 O ASP A 73 -4.853 -2.525 5.418 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.398 -0.625 3.251 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.663 0.012 3.869 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.310 -0.627 4.726 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.027 1.145 3.488 1.00 0.00 O ATOM 0 H ASP A 73 -4.313 0.728 2.597 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.414 -0.042 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.205 -0.160 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.590 -1.682 3.064 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.607 -2.343 3.519 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.864 -3.618 3.709 1.00 0.00 C ATOM 1158 C LYS A 74 -2.040 -3.517 5.004 1.00 0.00 C ATOM 1159 O LYS A 74 -2.046 -4.417 5.855 1.00 0.00 O ATOM 1160 CB LYS A 74 -1.903 -3.930 2.522 1.00 0.00 C ATOM 1161 CG LYS A 74 -2.541 -4.003 1.119 1.00 0.00 C ATOM 1162 CD LYS A 74 -3.664 -5.056 0.999 1.00 0.00 C ATOM 1163 CE LYS A 74 -3.188 -6.500 1.255 1.00 0.00 C ATOM 1164 NZ LYS A 74 -4.279 -7.487 1.069 1.00 0.00 N ATOM 0 H LYS A 74 -3.376 -1.852 2.655 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.594 -4.426 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.125 -3.167 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.411 -4.882 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.945 -3.024 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.764 -4.229 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.456 -4.813 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.100 -4.998 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.367 -6.736 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.798 -6.578 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.916 -8.444 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.053 -7.278 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.635 -7.431 0.093 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.395 -2.352 5.147 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.489 -2.063 6.253 1.00 0.00 C ATOM 1180 C LYS A 75 -1.264 -1.874 7.573 1.00 0.00 C ATOM 1181 O LYS A 75 -0.793 -2.292 8.626 1.00 0.00 O ATOM 1182 CB LYS A 75 0.330 -0.791 5.927 1.00 0.00 C ATOM 1183 CG LYS A 75 1.125 -0.821 4.603 1.00 0.00 C ATOM 1184 CD LYS A 75 2.121 -2.001 4.511 1.00 0.00 C ATOM 1185 CE LYS A 75 2.928 -1.994 3.205 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.815 -3.176 3.103 1.00 0.00 N ATOM 0 H LYS A 75 -1.492 -1.579 4.488 1.00 0.00 H new ATOM 0 HA LYS A 75 0.185 -2.910 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.351 0.059 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.029 -0.613 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.426 -0.880 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.672 0.116 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.807 -1.959 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.574 -2.940 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.245 -1.977 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.526 -1.084 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.800 -2.886 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.538 -3.881 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.731 -3.593 2.154 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.464 -1.257 7.501 1.00 0.00 N ATOM 1201 CA LEU A 76 -3.314 -0.993 8.684 1.00 0.00 C ATOM 1202 C LEU A 76 -3.887 -2.307 9.224 1.00 0.00 C ATOM 1203 O LEU A 76 -4.036 -2.473 10.435 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.463 0.010 8.365 1.00 0.00 C ATOM 1205 CG LEU A 76 -4.030 1.482 8.051 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -5.257 2.388 7.795 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -3.120 2.062 9.160 1.00 0.00 C ATOM 0 H LEU A 76 -2.870 -0.929 6.625 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.685 -0.534 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.023 -0.372 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.147 0.028 9.213 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.442 1.457 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.922 3.403 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.821 2.005 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.894 2.396 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.842 3.084 8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.656 2.058 10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.221 1.452 9.248 1.00 0.00 H new ATOM 1219 N ALA A 77 -4.218 -3.226 8.297 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.613 -4.609 8.634 1.00 0.00 C ATOM 1221 C ALA A 77 -3.495 -5.322 9.423 1.00 0.00 C ATOM 1222 O ALA A 77 -3.770 -6.127 10.318 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.978 -5.386 7.353 1.00 0.00 C ATOM 0 H ALA A 77 -4.220 -3.032 7.296 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.495 -4.574 9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.267 -6.404 7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.809 -4.890 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.116 -5.414 6.686 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.231 -5.015 9.084 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.057 -5.520 9.835 1.00 0.00 C ATOM 1231 C ARG A 78 -0.902 -4.779 11.186 1.00 0.00 C ATOM 1232 O ARG A 78 -0.475 -5.374 12.187 1.00 0.00 O ATOM 1233 CB ARG A 78 0.232 -5.394 8.979 1.00 0.00 C ATOM 1234 CG ARG A 78 0.143 -6.104 7.605 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.143 -7.608 7.728 1.00 0.00 C ATOM 1236 NE ARG A 78 -0.350 -8.253 6.417 1.00 0.00 N ATOM 1237 CZ ARG A 78 -0.940 -9.440 6.219 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.496 -10.113 7.227 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -0.999 -9.939 4.993 1.00 0.00 N ATOM 0 H ARG A 78 -1.991 -4.418 8.293 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.219 -6.576 10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.448 -4.338 8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.070 -5.809 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.642 -5.637 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.079 -5.960 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.689 -8.092 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.028 -7.757 8.346 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.016 -7.754 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.477 -9.726 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.940 -11.015 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.598 -9.421 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.446 -10.842 4.831 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.279 -3.482 11.211 1.00 0.00 N ATOM 1254 CA LYS A 79 -1.240 -2.638 12.431 1.00 0.00 C ATOM 1255 C LYS A 79 -2.442 -2.898 13.358 1.00 0.00 C ATOM 1256 O LYS A 79 -2.525 -2.295 14.429 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.160 -1.128 12.065 1.00 0.00 C ATOM 1258 CG LYS A 79 0.091 -0.725 11.254 1.00 0.00 C ATOM 1259 CD LYS A 79 1.421 -1.106 11.951 1.00 0.00 C ATOM 1260 CE LYS A 79 2.649 -0.772 11.096 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.909 -1.206 11.741 1.00 0.00 N ATOM 0 H LYS A 79 -1.620 -2.988 10.386 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.338 -2.916 12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.049 -0.859 11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.184 -0.544 12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.051 -1.204 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.074 0.351 11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.492 -0.581 12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.417 -2.173 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.555 -1.254 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.685 0.303 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.679 -0.562 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.794 -1.189 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.141 -2.172 11.435 1.00 0.00 H new ATOM 1275 N LEU A 80 -3.394 -3.748 12.919 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.516 -4.233 13.771 1.00 0.00 C ATOM 1277 C LEU A 80 -3.990 -4.998 15.008 1.00 0.00 C ATOM 1278 O LEU A 80 -4.687 -5.112 16.024 1.00 0.00 O ATOM 1279 CB LEU A 80 -5.513 -5.124 12.936 1.00 0.00 C ATOM 1280 CG LEU A 80 -6.928 -4.519 12.640 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -7.695 -4.207 13.945 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -6.838 -3.278 11.722 1.00 0.00 C ATOM 0 H LEU A 80 -3.413 -4.120 11.969 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.063 -3.361 14.129 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.039 -5.361 11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.651 -6.066 13.466 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.497 -5.277 12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.672 -3.789 13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.826 -5.125 14.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.129 -3.487 14.536 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.839 -2.887 11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.231 -2.512 12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.380 -3.559 10.774 1.00 0.00 H new ATOM 1294 N GLU A 81 -2.756 -5.517 14.908 1.00 0.00 N ATOM 1295 CA GLU A 81 -2.060 -6.189 16.021 1.00 0.00 C ATOM 1296 C GLU A 81 -1.520 -5.177 17.055 1.00 0.00 C ATOM 1297 O GLU A 81 -1.046 -5.566 18.125 1.00 0.00 O ATOM 1298 CB GLU A 81 -0.919 -7.071 15.451 1.00 0.00 C ATOM 1299 CG GLU A 81 -1.397 -8.139 14.442 1.00 0.00 C ATOM 1300 CD GLU A 81 -2.462 -9.081 15.033 1.00 0.00 C ATOM 1301 OE1 GLU A 81 -2.096 -9.991 15.805 1.00 0.00 O ATOM 1302 OE2 GLU A 81 -3.672 -8.889 14.767 1.00 0.00 O ATOM 0 H GLU A 81 -2.208 -5.483 14.048 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.775 -6.821 16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.185 -6.429 14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.410 -7.568 16.277 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.805 -7.644 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.542 -8.727 14.110 1.00 0.00 H new ATOM 1309 N HIS A 82 -1.588 -3.883 16.708 1.00 0.00 N ATOM 1310 CA HIS A 82 -1.229 -2.756 17.591 1.00 0.00 C ATOM 1311 C HIS A 82 -2.503 -2.007 18.008 1.00 0.00 C ATOM 1312 O HIS A 82 -3.621 -2.421 17.670 1.00 0.00 O ATOM 1313 CB HIS A 82 -0.261 -1.793 16.844 1.00 0.00 C ATOM 1314 CG HIS A 82 1.053 -2.423 16.461 1.00 0.00 C ATOM 1315 ND1 HIS A 82 2.184 -2.323 17.240 1.00 0.00 N ATOM 1316 CD2 HIS A 82 1.403 -3.177 15.388 1.00 0.00 C ATOM 1317 CE1 HIS A 82 3.170 -2.989 16.670 1.00 0.00 C ATOM 1318 NE2 HIS A 82 2.723 -3.518 15.547 1.00 0.00 N ATOM 0 H HIS A 82 -1.901 -3.581 15.785 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.730 -3.135 18.483 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.753 -1.426 15.943 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.067 -0.927 17.476 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.763 -3.456 14.564 1.00 0.00 H new ATOM 0 HE1 HIS A 82 4.174 -3.085 17.057 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.270 -4.088 14.902 1.00 0.00 H new ATOM 1327 N HIS A 83 -2.312 -0.906 18.744 1.00 0.00 N ATOM 1328 CA HIS A 83 -3.386 0.010 19.166 1.00 0.00 C ATOM 1329 C HIS A 83 -2.763 1.410 19.422 1.00 0.00 C ATOM 1330 O HIS A 83 -1.736 1.734 18.802 1.00 0.00 O ATOM 1331 CB HIS A 83 -4.137 -0.556 20.418 1.00 0.00 C ATOM 1332 CG HIS A 83 -3.309 -0.659 21.673 1.00 0.00 C ATOM 1333 ND1 HIS A 83 -3.479 0.177 22.754 1.00 0.00 N ATOM 1334 CD2 HIS A 83 -2.333 -1.526 22.026 1.00 0.00 C ATOM 1335 CE1 HIS A 83 -2.642 -0.167 23.710 1.00 0.00 C ATOM 1336 NE2 HIS A 83 -1.936 -1.200 23.298 1.00 0.00 N ATOM 0 H HIS A 83 -1.390 -0.618 19.071 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.138 0.105 18.382 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.999 0.079 20.622 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.522 -1.546 20.174 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.939 -2.327 21.419 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.550 0.317 24.671 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.213 -1.678 23.836 1.00 0.00 H new ATOM 1345 N HIS A 84 -3.413 2.234 20.285 1.00 0.00 N ATOM 1346 CA HIS A 84 -2.895 3.545 20.752 1.00 0.00 C ATOM 1347 C HIS A 84 -2.987 4.596 19.626 1.00 0.00 C ATOM 1348 O HIS A 84 -2.180 4.606 18.690 1.00 0.00 O ATOM 1349 CB HIS A 84 -1.450 3.425 21.339 1.00 0.00 C ATOM 1350 CG HIS A 84 -0.870 4.716 21.866 1.00 0.00 C ATOM 1351 ND1 HIS A 84 -1.189 5.235 23.101 1.00 0.00 N ATOM 1352 CD2 HIS A 84 0.015 5.585 21.320 1.00 0.00 C ATOM 1353 CE1 HIS A 84 -0.541 6.367 23.285 1.00 0.00 C ATOM 1354 NE2 HIS A 84 0.200 6.597 22.224 1.00 0.00 N ATOM 0 H HIS A 84 -4.324 2.002 20.681 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.527 3.886 21.572 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.461 2.692 22.146 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.790 3.036 20.564 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.486 5.496 20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.607 6.998 24.159 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.815 7.401 22.095 1.00 0.00 H new ATOM 1363 N HIS A 85 -3.994 5.476 19.736 1.00 0.00 N ATOM 1364 CA HIS A 85 -4.343 6.474 18.707 1.00 0.00 C ATOM 1365 C HIS A 85 -4.491 7.870 19.340 1.00 0.00 C ATOM 1366 O HIS A 85 -4.444 8.015 20.573 1.00 0.00 O ATOM 1367 CB HIS A 85 -5.654 6.049 17.984 1.00 0.00 C ATOM 1368 CG HIS A 85 -6.847 5.816 18.902 1.00 0.00 C ATOM 1369 ND1 HIS A 85 -7.427 4.584 19.082 1.00 0.00 N ATOM 1370 CD2 HIS A 85 -7.556 6.666 19.689 1.00 0.00 C ATOM 1371 CE1 HIS A 85 -8.435 4.683 19.928 1.00 0.00 C ATOM 1372 NE2 HIS A 85 -8.533 5.935 20.313 1.00 0.00 N ATOM 0 H HIS A 85 -4.600 5.517 20.555 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.541 6.523 17.971 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.917 6.819 17.259 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.462 5.134 17.423 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.382 7.726 19.803 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -9.072 3.872 20.249 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -9.223 6.303 20.968 1.00 0.00 H new ATOM 1381 N HIS A 86 -4.690 8.882 18.483 1.00 0.00 N ATOM 1382 CA HIS A 86 -4.919 10.280 18.909 1.00 0.00 C ATOM 1383 C HIS A 86 -5.731 11.059 17.850 1.00 0.00 C ATOM 1384 O HIS A 86 -6.277 12.125 18.151 1.00 0.00 O ATOM 1385 CB HIS A 86 -3.565 10.992 19.196 1.00 0.00 C ATOM 1386 CG HIS A 86 -2.672 11.168 17.989 1.00 0.00 C ATOM 1387 ND1 HIS A 86 -1.993 10.126 17.391 1.00 0.00 N ATOM 1388 CD2 HIS A 86 -2.354 12.273 17.274 1.00 0.00 C ATOM 1389 CE1 HIS A 86 -1.299 10.581 16.367 1.00 0.00 C ATOM 1390 NE2 HIS A 86 -1.498 11.882 16.273 1.00 0.00 N ATOM 0 H HIS A 86 -4.698 8.759 17.471 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.502 10.261 19.830 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.770 11.973 19.624 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.024 10.422 19.951 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.708 13.277 17.457 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.673 9.989 15.715 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.084 12.497 15.572 1.00 0.00 H new ATOM 1399 N HIS A 87 -5.796 10.516 16.617 1.00 0.00 N ATOM 1400 CA HIS A 87 -6.431 11.181 15.467 1.00 0.00 C ATOM 1401 C HIS A 87 -6.830 10.111 14.412 1.00 0.00 C ATOM 1402 O HIS A 87 -8.031 9.767 14.323 1.00 0.00 O ATOM 1403 CB HIS A 87 -5.472 12.250 14.871 1.00 0.00 C ATOM 1404 CG HIS A 87 -6.030 13.000 13.691 1.00 0.00 C ATOM 1405 ND1 HIS A 87 -6.811 14.106 13.627 1.00 0.00 N flip ATOM 1406 CD2 HIS A 87 -5.781 12.633 12.389 1.00 0.00 C flip ATOM 1407 CE1 HIS A 87 -7.013 14.378 12.297 1.00 0.00 C flip ATOM 1408 NE2 HIS A 87 -6.383 13.475 11.574 1.00 0.00 N flip ATOM 1409 OXT HIS A 87 -5.935 9.594 13.708 1.00 0.00 O ATOM 0 H HIS A 87 -5.407 9.600 16.393 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.335 11.698 15.788 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.215 12.966 15.652 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.545 11.761 14.570 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.179 14.636 14.417 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.185 11.786 12.082 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.595 15.200 11.906 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 10.310 10.919 -10.799 1.00 0.00 P HETATM 1420 O25 PNS A 88 11.316 9.913 -10.410 1.00 0.00 O HETATM 1421 O26 PNS A 88 10.330 11.404 -12.197 1.00 0.00 O HETATM 1422 O27 PNS A 88 8.838 10.375 -10.454 1.00 0.00 O HETATM 1423 C28 PNS A 88 7.665 11.177 -10.651 1.00 0.00 C HETATM 1424 C29 PNS A 88 6.426 10.291 -11.018 1.00 0.00 C HETATM 1425 C30 PNS A 88 5.150 11.172 -11.081 1.00 0.00 C HETATM 1426 C31 PNS A 88 6.213 9.230 -9.895 1.00 0.00 C HETATM 1427 C32 PNS A 88 6.685 9.593 -12.435 1.00 0.00 C HETATM 1428 O33 PNS A 88 7.597 8.492 -12.293 1.00 0.00 O HETATM 1429 C34 PNS A 88 5.383 9.071 -13.094 1.00 0.00 C HETATM 1430 O35 PNS A 88 5.060 9.448 -14.224 1.00 0.00 O HETATM 1431 N36 PNS A 88 4.667 8.189 -12.386 1.00 0.00 N HETATM 1432 C37 PNS A 88 3.407 7.607 -12.848 1.00 0.00 C HETATM 1433 C38 PNS A 88 2.566 7.170 -11.642 1.00 0.00 C HETATM 1434 C39 PNS A 88 2.093 8.334 -10.746 1.00 0.00 C HETATM 1435 O40 PNS A 88 1.876 9.462 -11.218 1.00 0.00 O HETATM 1436 N41 PNS A 88 1.898 8.029 -9.452 1.00 0.00 N HETATM 1437 C42 PNS A 88 1.438 9.005 -8.448 1.00 0.00 C HETATM 1438 C43 PNS A 88 1.032 8.336 -7.132 1.00 0.00 C HETATM 1439 S44 PNS A 88 2.409 7.494 -6.320 1.00 0.00 S HETATM 0 H432 PNS A 88 0.624 9.089 -6.458 1.00 0.00 H new HETATM 0 H431 PNS A 88 0.236 7.617 -7.326 1.00 0.00 H new HETATM 0 H422 PNS A 88 0.590 9.561 -8.847 1.00 0.00 H new HETATM 0 H421 PNS A 88 2.231 9.727 -8.256 1.00 0.00 H new HETATM 0 H382 PNS A 88 3.150 6.476 -11.038 1.00 0.00 H new HETATM 0 H381 PNS A 88 1.693 6.624 -12.000 1.00 0.00 H new HETATM 0 H372 PNS A 88 3.606 6.752 -13.494 1.00 0.00 H new HETATM 0 H371 PNS A 88 2.856 8.335 -13.443 1.00 0.00 H new HETATM 0 H313 PNS A 88 5.352 8.608 -10.141 1.00 0.00 H new HETATM 0 H312 PNS A 88 6.036 9.736 -8.946 1.00 0.00 H new HETATM 0 H311 PNS A 88 7.102 8.604 -9.812 1.00 0.00 H new HETATM 0 H303 PNS A 88 4.291 10.551 -11.337 1.00 0.00 H new HETATM 0 H302 PNS A 88 5.278 11.944 -11.840 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.983 11.641 -10.111 1.00 0.00 H new HETATM 0 H282 PNS A 88 7.846 11.901 -11.446 1.00 0.00 H new HETATM 0 H281 PNS A 88 7.453 11.745 -9.745 1.00 0.00 H new HETATM 0 H44 PNS A 88 2.053 7.137 -5.122 1.00 0.00 H new HETATM 0 H41 PNS A 88 2.078 7.072 -9.149 1.00 0.00 H new HETATM 0 H36 PNS A 88 5.020 7.907 -11.472 1.00 0.00 H new HETATM 0 H33 PNS A 88 8.301 8.731 -11.655 1.00 0.00 H new HETATM 0 H32 PNS A 88 7.109 10.363 -13.080 1.00 0.00 H new