USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 917 hydrogens (30 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 109 ASN : amide:sc= -3.41! K(o=-3.5!,f=0.82) USER MOD Set 1.2: A 111 SER OG : rot 180:sc= -0.0906 USER MOD Set 2.1: A 82 THR OG1 : rot -107:sc= -1.57! USER MOD Set 2.2: A 84 ASN : amide:sc= -1.24 X(o=-2.8,f=-2.8) USER MOD Set 3.1: A 15 GLN : amide:sc=-0.00731 X(o=-1.4,f=-1.4) USER MOD Set 3.2: A 24 ASN : amide:sc= -1.35! C(o=-1.4!,f=-1.9!) USER MOD Set 4.1: A 18 ASN : amide:sc= -3.14! C(o=-3.3!,f=-2.7!) USER MOD Set 4.2: A 19 ASN : amide:sc= -0.141 K(o=-3.3,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= -0.255 (180deg=-0.296) USER MOD Single : A 6 GLN : amide:sc=-0.00963 X(o=-0.0096,f=-0.0013) USER MOD Single : A 17 LYS NZ :NH3+ -92:sc= -0.147 (180deg=-0.822) USER MOD Single : A 20 SER OG : rot 180:sc= 0.185 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 28 ASN : amide:sc= -5.96! C(o=-6!,f=-1.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -3.4! K(o=-3.4!,f=0.39) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -6.02! C(o=-6!,f=-12!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -170:sc= -0.0627 USER MOD Single : A 70 GLN : amide:sc= -2.75! C(o=-2.7!,f=-3.5!) USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= -0.0564 (180deg=-0.357) USER MOD Single : A 83 ASN : amide:sc= -5.77! C(o=-5.8!,f=-2.2!) USER MOD Single : A 86 THR OG1 : rot -48:sc= 0.0458 USER MOD Single : A 87 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-5.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 96 SER OG : rot -22:sc= -0.708 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= -0.0155 (180deg=-0.213) USER MOD Single : A 104 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0025) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 107 SER OG : rot -160:sc= 0.00139 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= -2.95! K(o=-3!,f=-0.2) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.171 0.871 -19.802 1.00 1.00 N ATOM 2 CA MET A 1 17.718 0.244 -21.077 1.00 1.00 C ATOM 3 C MET A 1 16.205 0.383 -21.201 1.00 1.00 C ATOM 4 O MET A 1 15.457 -0.527 -20.845 1.00 1.00 O ATOM 5 CB MET A 1 18.109 -1.236 -21.081 1.00 1.00 C ATOM 6 CG MET A 1 19.617 -1.367 -20.858 1.00 1.00 C ATOM 7 SD MET A 1 20.262 -2.719 -21.873 1.00 1.00 S ATOM 8 CE MET A 1 21.725 -3.078 -20.870 1.00 1.00 C ATOM 0 H1 MET A 1 18.841 1.639 -20.011 1.00 1.00 H new ATOM 0 H2 MET A 1 17.350 1.257 -19.294 1.00 1.00 H new ATOM 0 H3 MET A 1 18.639 0.155 -19.210 1.00 1.00 H new ATOM 0 HA MET A 1 18.193 0.743 -21.922 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.568 -1.768 -20.299 1.00 1.00 H new ATOM 0 HB3 MET A 1 17.830 -1.694 -22.030 1.00 1.00 H new ATOM 0 HG2 MET A 1 20.116 -0.433 -21.117 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.824 -1.558 -19.805 1.00 1.00 H new ATOM 0 HE1 MET A 1 22.283 -3.898 -21.321 1.00 1.00 H new ATOM 0 HE2 MET A 1 22.358 -2.192 -20.820 1.00 1.00 H new ATOM 0 HE3 MET A 1 21.416 -3.360 -19.864 1.00 1.00 H new ATOM 20 N ASP A 2 15.761 1.529 -21.705 1.00 1.00 N ATOM 21 CA ASP A 2 14.334 1.778 -21.871 1.00 1.00 C ATOM 22 C ASP A 2 13.574 1.424 -20.597 1.00 1.00 C ATOM 23 O ASP A 2 12.698 0.559 -20.604 1.00 1.00 O ATOM 24 CB ASP A 2 13.792 0.945 -23.035 1.00 1.00 C ATOM 25 CG ASP A 2 14.381 1.445 -24.351 1.00 1.00 C ATOM 26 OD1 ASP A 2 15.478 1.977 -24.321 1.00 1.00 O ATOM 27 OD2 ASP A 2 13.725 1.287 -25.367 1.00 1.00 O ATOM 0 H ASP A 2 16.364 2.296 -22.004 1.00 1.00 H new ATOM 0 HA ASP A 2 14.193 2.838 -22.082 1.00 1.00 H new ATOM 0 HB2 ASP A 2 14.044 -0.106 -22.890 1.00 1.00 H new ATOM 0 HB3 ASP A 2 12.704 1.011 -23.065 1.00 1.00 H new ATOM 32 N PRO A 3 13.896 2.073 -19.509 1.00 1.00 N ATOM 33 CA PRO A 3 13.233 1.825 -18.196 1.00 1.00 C ATOM 34 C PRO A 3 11.819 2.398 -18.150 1.00 1.00 C ATOM 35 O PRO A 3 10.914 1.797 -17.569 1.00 1.00 O ATOM 36 CB PRO A 3 14.142 2.533 -17.192 1.00 1.00 C ATOM 37 CG PRO A 3 14.831 3.608 -17.967 1.00 1.00 C ATOM 38 CD PRO A 3 14.928 3.116 -19.413 1.00 1.00 C ATOM 0 HA PRO A 3 13.113 0.761 -17.992 1.00 1.00 H new ATOM 0 HB2 PRO A 3 13.565 2.952 -16.368 1.00 1.00 H new ATOM 0 HB3 PRO A 3 14.862 1.840 -16.757 1.00 1.00 H new ATOM 0 HG2 PRO A 3 14.272 4.542 -17.913 1.00 1.00 H new ATOM 0 HG3 PRO A 3 15.822 3.805 -17.558 1.00 1.00 H new ATOM 0 HD2 PRO A 3 14.745 3.924 -20.122 1.00 1.00 H new ATOM 0 HD3 PRO A 3 15.919 2.718 -19.633 1.00 1.00 H new ATOM 46 N GLU A 4 11.637 3.561 -18.765 1.00 1.00 N ATOM 47 CA GLU A 4 10.330 4.207 -18.787 1.00 1.00 C ATOM 48 C GLU A 4 9.297 3.303 -19.454 1.00 1.00 C ATOM 49 O GLU A 4 8.222 3.062 -18.904 1.00 1.00 O ATOM 50 CB GLU A 4 10.415 5.532 -19.548 1.00 1.00 C ATOM 51 CG GLU A 4 10.958 6.620 -18.618 1.00 1.00 C ATOM 52 CD GLU A 4 11.105 7.932 -19.383 1.00 1.00 C ATOM 53 OE1 GLU A 4 10.243 8.218 -20.198 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.076 8.629 -19.142 1.00 1.00 O ATOM 0 H GLU A 4 12.373 4.073 -19.252 1.00 1.00 H new ATOM 0 HA GLU A 4 10.022 4.397 -17.759 1.00 1.00 H new ATOM 0 HB2 GLU A 4 11.064 5.424 -20.417 1.00 1.00 H new ATOM 0 HB3 GLU A 4 9.430 5.814 -19.919 1.00 1.00 H new ATOM 0 HG2 GLU A 4 10.285 6.756 -17.772 1.00 1.00 H new ATOM 0 HG3 GLU A 4 11.923 6.316 -18.212 1.00 1.00 H new ATOM 61 N LEU A 5 9.630 2.807 -20.641 1.00 1.00 N ATOM 62 CA LEU A 5 8.723 1.932 -21.374 1.00 1.00 C ATOM 63 C LEU A 5 8.497 0.631 -20.609 1.00 1.00 C ATOM 64 O LEU A 5 7.447 0.001 -20.729 1.00 1.00 O ATOM 65 CB LEU A 5 9.300 1.620 -22.756 1.00 1.00 C ATOM 66 CG LEU A 5 9.381 2.907 -23.578 1.00 1.00 C ATOM 67 CD1 LEU A 5 10.751 2.998 -24.250 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.287 2.897 -24.648 1.00 1.00 C ATOM 0 H LEU A 5 10.515 2.994 -21.113 1.00 1.00 H new ATOM 0 HA LEU A 5 7.768 2.444 -21.487 1.00 1.00 H new ATOM 0 HB2 LEU A 5 10.291 1.177 -22.656 1.00 1.00 H new ATOM 0 HB3 LEU A 5 8.673 0.889 -23.267 1.00 1.00 H new ATOM 0 HG LEU A 5 9.241 3.767 -22.923 1.00 1.00 H new ATOM 0 HD11 LEU A 5 10.809 3.915 -24.836 1.00 1.00 H new ATOM 0 HD12 LEU A 5 11.530 3.005 -23.488 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.892 2.139 -24.906 1.00 1.00 H new ATOM 0 HD21 LEU A 5 8.344 3.814 -25.235 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.427 2.037 -25.304 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.310 2.833 -24.169 1.00 1.00 H new ATOM 80 N GLN A 6 9.492 0.233 -19.825 1.00 1.00 N ATOM 81 CA GLN A 6 9.392 -0.996 -19.044 1.00 1.00 C ATOM 82 C GLN A 6 8.307 -0.871 -17.978 1.00 1.00 C ATOM 83 O GLN A 6 7.678 -1.859 -17.599 1.00 1.00 O ATOM 84 CB GLN A 6 10.733 -1.300 -18.376 1.00 1.00 C ATOM 85 CG GLN A 6 10.874 -2.811 -18.179 1.00 1.00 C ATOM 86 CD GLN A 6 11.434 -3.452 -19.443 1.00 1.00 C ATOM 87 OE1 GLN A 6 12.650 -3.483 -19.639 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.617 -3.969 -20.320 1.00 1.00 N ATOM 0 H GLN A 6 10.371 0.738 -19.713 1.00 1.00 H new ATOM 0 HA GLN A 6 9.128 -1.811 -19.719 1.00 1.00 H new ATOM 0 HB2 GLN A 6 11.551 -0.925 -18.991 1.00 1.00 H new ATOM 0 HB3 GLN A 6 10.797 -0.790 -17.415 1.00 1.00 H new ATOM 0 HG2 GLN A 6 11.533 -3.016 -17.335 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.904 -3.247 -17.940 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.610 -3.943 -20.157 1.00 1.00 H new ATOM 0 HE22 GLN A 6 10.985 -4.399 -21.168 1.00 1.00 H new ATOM 97 N CYS A 7 8.099 0.349 -17.492 1.00 1.00 N ATOM 98 CA CYS A 7 7.093 0.590 -16.463 1.00 1.00 C ATOM 99 C CYS A 7 5.702 0.722 -17.078 1.00 1.00 C ATOM 100 O CYS A 7 4.763 0.047 -16.657 1.00 1.00 O ATOM 101 CB CYS A 7 7.433 1.867 -15.693 1.00 1.00 C ATOM 102 SG CYS A 7 5.924 2.833 -15.435 1.00 1.00 S ATOM 0 H CYS A 7 8.609 1.180 -17.791 1.00 1.00 H new ATOM 0 HA CYS A 7 7.092 -0.261 -15.782 1.00 1.00 H new ATOM 0 HB2 CYS A 7 7.886 1.617 -14.734 1.00 1.00 H new ATOM 0 HB3 CYS A 7 8.164 2.455 -16.247 1.00 1.00 H new ATOM 107 N ILE A 8 5.574 1.599 -18.069 1.00 1.00 N ATOM 108 CA ILE A 8 4.288 1.810 -18.725 1.00 1.00 C ATOM 109 C ILE A 8 3.773 0.510 -19.338 1.00 1.00 C ATOM 110 O ILE A 8 2.567 0.270 -19.379 1.00 1.00 O ATOM 111 CB ILE A 8 4.423 2.886 -19.810 1.00 1.00 C ATOM 112 CG1 ILE A 8 3.064 3.552 -20.036 1.00 1.00 C ATOM 113 CG2 ILE A 8 4.903 2.256 -21.119 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.935 4.774 -19.126 1.00 1.00 C ATOM 0 H ILE A 8 6.337 2.170 -18.433 1.00 1.00 H new ATOM 0 HA ILE A 8 3.570 2.145 -17.976 1.00 1.00 H new ATOM 0 HB ILE A 8 5.150 3.630 -19.485 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.963 3.851 -21.079 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.262 2.844 -19.828 1.00 1.00 H new ATOM 0 HG21 ILE A 8 4.995 3.029 -21.882 1.00 1.00 H new ATOM 0 HG22 ILE A 8 5.873 1.784 -20.961 1.00 1.00 H new ATOM 0 HG23 ILE A 8 4.183 1.506 -21.447 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.967 5.248 -19.288 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.017 4.462 -18.085 1.00 1.00 H new ATOM 0 HD13 ILE A 8 3.729 5.484 -19.356 1.00 1.00 H new ATOM 126 N ARG A 9 4.692 -0.324 -19.812 1.00 1.00 N ATOM 127 CA ARG A 9 4.317 -1.595 -20.420 1.00 1.00 C ATOM 128 C ARG A 9 3.727 -2.540 -19.376 1.00 1.00 C ATOM 129 O ARG A 9 2.855 -3.353 -19.685 1.00 1.00 O ATOM 130 CB ARG A 9 5.541 -2.247 -21.065 1.00 1.00 C ATOM 131 CG ARG A 9 5.145 -3.599 -21.664 1.00 1.00 C ATOM 132 CD ARG A 9 5.877 -3.804 -22.990 1.00 1.00 C ATOM 133 NE ARG A 9 5.403 -2.847 -23.983 1.00 1.00 N ATOM 134 CZ ARG A 9 5.718 -2.975 -25.266 1.00 1.00 C ATOM 135 NH1 ARG A 9 6.466 -3.970 -25.658 1.00 1.00 N ATOM 136 NH2 ARG A 9 5.279 -2.106 -26.136 1.00 1.00 N ATOM 0 H ARG A 9 5.696 -0.145 -19.787 1.00 1.00 H new ATOM 0 HA ARG A 9 3.563 -1.400 -21.183 1.00 1.00 H new ATOM 0 HB2 ARG A 9 5.945 -1.598 -21.842 1.00 1.00 H new ATOM 0 HB3 ARG A 9 6.327 -2.383 -20.322 1.00 1.00 H new ATOM 0 HG2 ARG A 9 5.394 -4.403 -20.971 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.067 -3.637 -21.822 1.00 1.00 H new ATOM 0 HD2 ARG A 9 6.950 -3.684 -22.843 1.00 1.00 H new ATOM 0 HD3 ARG A 9 5.716 -4.821 -23.349 1.00 1.00 H new ATOM 0 HE ARG A 9 4.819 -2.065 -23.686 1.00 1.00 H new ATOM 0 HH11 ARG A 9 6.808 -4.649 -24.978 1.00 1.00 H new ATOM 0 HH12 ARG A 9 6.708 -4.068 -26.644 1.00 1.00 H new ATOM 0 HH21 ARG A 9 4.694 -1.329 -25.830 1.00 1.00 H new ATOM 0 HH22 ARG A 9 5.521 -2.204 -27.122 1.00 1.00 H new ATOM 150 N GLU A 10 4.207 -2.426 -18.142 1.00 1.00 N ATOM 151 CA GLU A 10 3.718 -3.278 -17.063 1.00 1.00 C ATOM 152 C GLU A 10 2.301 -2.876 -16.667 1.00 1.00 C ATOM 153 O GLU A 10 1.437 -3.730 -16.461 1.00 1.00 O ATOM 154 CB GLU A 10 4.641 -3.166 -15.849 1.00 1.00 C ATOM 155 CG GLU A 10 5.958 -3.886 -16.141 1.00 1.00 C ATOM 156 CD GLU A 10 5.934 -5.283 -15.530 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.965 -5.377 -14.314 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.887 -6.239 -16.286 1.00 1.00 O ATOM 0 H GLU A 10 4.927 -1.759 -17.865 1.00 1.00 H new ATOM 0 HA GLU A 10 3.707 -4.310 -17.415 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.831 -2.118 -15.619 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.162 -3.603 -14.973 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.114 -3.953 -17.218 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.792 -3.316 -15.733 1.00 1.00 H new ATOM 165 N CYS A 11 2.069 -1.572 -16.562 1.00 1.00 N ATOM 166 CA CYS A 11 0.752 -1.067 -16.188 1.00 1.00 C ATOM 167 C CYS A 11 -0.216 -1.182 -17.361 1.00 1.00 C ATOM 168 O CYS A 11 -1.405 -1.439 -17.175 1.00 1.00 O ATOM 169 CB CYS A 11 0.857 0.394 -15.749 1.00 1.00 C ATOM 170 SG CYS A 11 -0.091 0.637 -14.228 1.00 1.00 S ATOM 0 H CYS A 11 2.770 -0.850 -16.729 1.00 1.00 H new ATOM 0 HA CYS A 11 0.374 -1.666 -15.359 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.901 0.662 -15.586 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.479 1.049 -16.534 1.00 1.00 H new ATOM 175 N ARG A 12 0.302 -0.987 -18.569 1.00 1.00 N ATOM 176 CA ARG A 12 -0.526 -1.071 -19.767 1.00 1.00 C ATOM 177 C ARG A 12 -1.061 -2.488 -19.949 1.00 1.00 C ATOM 178 O ARG A 12 -2.184 -2.684 -20.416 1.00 1.00 O ATOM 179 CB ARG A 12 0.291 -0.670 -20.996 1.00 1.00 C ATOM 180 CG ARG A 12 -0.615 -0.650 -22.229 1.00 1.00 C ATOM 181 CD ARG A 12 0.181 -0.160 -23.441 1.00 1.00 C ATOM 182 NE ARG A 12 0.247 -1.203 -24.458 1.00 1.00 N ATOM 183 CZ ARG A 12 -0.765 -1.411 -25.295 1.00 1.00 C ATOM 184 NH1 ARG A 12 -1.841 -0.678 -25.213 1.00 1.00 N ATOM 185 NH2 ARG A 12 -0.682 -2.349 -26.198 1.00 1.00 N ATOM 0 H ARG A 12 1.283 -0.771 -18.744 1.00 1.00 H new ATOM 0 HA ARG A 12 -1.368 -0.388 -19.653 1.00 1.00 H new ATOM 0 HB2 ARG A 12 0.737 0.313 -20.844 1.00 1.00 H new ATOM 0 HB3 ARG A 12 1.111 -1.373 -21.146 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -1.010 -1.648 -22.419 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -1.470 0.003 -22.054 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -0.287 0.733 -23.856 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.188 0.122 -23.134 1.00 1.00 H new ATOM 0 HE ARG A 12 1.083 -1.783 -24.528 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -1.906 0.055 -24.507 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -2.617 -0.838 -25.855 1.00 1.00 H new ATOM 0 HH21 ARG A 12 0.159 -2.923 -26.262 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -1.458 -2.509 -26.840 1.00 1.00 H new ATOM 199 N LEU A 13 -0.251 -3.474 -19.576 1.00 1.00 N ATOM 200 CA LEU A 13 -0.653 -4.869 -19.703 1.00 1.00 C ATOM 201 C LEU A 13 -1.794 -5.184 -18.739 1.00 1.00 C ATOM 202 O LEU A 13 -2.777 -5.823 -19.113 1.00 1.00 O ATOM 203 CB LEU A 13 0.542 -5.783 -19.408 1.00 1.00 C ATOM 204 CG LEU A 13 0.174 -7.247 -19.691 1.00 1.00 C ATOM 205 CD1 LEU A 13 -0.124 -7.438 -21.182 1.00 1.00 C ATOM 206 CD2 LEU A 13 1.344 -8.147 -19.292 1.00 1.00 C ATOM 0 H LEU A 13 0.681 -3.334 -19.186 1.00 1.00 H new ATOM 0 HA LEU A 13 -0.998 -5.042 -20.723 1.00 1.00 H new ATOM 0 HB2 LEU A 13 1.394 -5.490 -20.022 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.846 -5.672 -18.367 1.00 1.00 H new ATOM 0 HG LEU A 13 -0.712 -7.510 -19.114 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -0.384 -8.480 -21.371 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -0.958 -6.798 -21.471 1.00 1.00 H new ATOM 0 HD13 LEU A 13 0.757 -7.172 -21.766 1.00 1.00 H new ATOM 0 HD21 LEU A 13 1.087 -9.187 -19.491 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.227 -7.874 -19.870 1.00 1.00 H new ATOM 0 HD23 LEU A 13 1.553 -8.022 -18.230 1.00 1.00 H new ATOM 218 N ALA A 14 -1.652 -4.734 -17.496 1.00 1.00 N ATOM 219 CA ALA A 14 -2.677 -4.974 -16.487 1.00 1.00 C ATOM 220 C ALA A 14 -3.885 -4.074 -16.721 1.00 1.00 C ATOM 221 O ALA A 14 -5.018 -4.448 -16.420 1.00 1.00 O ATOM 222 CB ALA A 14 -2.105 -4.712 -15.092 1.00 1.00 C ATOM 0 H ALA A 14 -0.844 -4.206 -17.166 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.996 -6.014 -16.561 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -2.876 -4.893 -14.343 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.262 -5.379 -14.913 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.770 -3.677 -15.025 1.00 1.00 H new ATOM 228 N GLN A 15 -3.635 -2.885 -17.261 1.00 1.00 N ATOM 229 CA GLN A 15 -4.713 -1.939 -17.531 1.00 1.00 C ATOM 230 C GLN A 15 -5.451 -2.321 -18.809 1.00 1.00 C ATOM 231 O GLN A 15 -6.680 -2.264 -18.868 1.00 1.00 O ATOM 232 CB GLN A 15 -4.145 -0.525 -17.671 1.00 1.00 C ATOM 233 CG GLN A 15 -3.634 -0.044 -16.312 1.00 1.00 C ATOM 234 CD GLN A 15 -4.781 0.557 -15.506 1.00 1.00 C ATOM 235 OE1 GLN A 15 -5.441 1.492 -15.962 1.00 1.00 O ATOM 236 NE2 GLN A 15 -5.061 0.073 -14.326 1.00 1.00 N ATOM 0 H GLN A 15 -2.705 -2.556 -17.518 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.414 -1.967 -16.697 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -3.334 -0.518 -18.400 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -4.914 0.152 -18.043 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -3.192 -0.877 -15.765 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -2.849 0.699 -16.452 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -4.514 -0.701 -13.949 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -5.827 0.469 -13.781 1.00 1.00 H new ATOM 245 N LEU A 16 -4.696 -2.712 -19.829 1.00 1.00 N ATOM 246 CA LEU A 16 -5.290 -3.103 -21.102 1.00 1.00 C ATOM 247 C LEU A 16 -6.155 -1.975 -21.659 1.00 1.00 C ATOM 248 O LEU A 16 -7.200 -1.646 -21.097 1.00 1.00 O ATOM 249 CB LEU A 16 -6.143 -4.359 -20.916 1.00 1.00 C ATOM 250 CG LEU A 16 -6.441 -4.981 -22.282 1.00 1.00 C ATOM 251 CD1 LEU A 16 -5.341 -5.984 -22.636 1.00 1.00 C ATOM 252 CD2 LEU A 16 -7.790 -5.701 -22.230 1.00 1.00 C ATOM 0 H LEU A 16 -3.678 -2.767 -19.800 1.00 1.00 H new ATOM 0 HA LEU A 16 -4.486 -3.311 -21.808 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -5.620 -5.077 -20.284 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -7.074 -4.107 -20.408 1.00 1.00 H new ATOM 0 HG LEU A 16 -6.476 -4.198 -23.039 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -5.552 -6.428 -23.609 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -4.379 -5.472 -22.672 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -5.306 -6.768 -21.880 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -8.003 -6.145 -23.203 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -7.755 -6.485 -21.473 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -8.574 -4.987 -21.977 1.00 1.00 H new ATOM 264 N LYS A 17 -5.712 -1.388 -22.766 1.00 1.00 N ATOM 265 CA LYS A 17 -6.454 -0.299 -23.389 1.00 1.00 C ATOM 266 C LYS A 17 -7.684 -0.835 -24.116 1.00 1.00 C ATOM 267 O LYS A 17 -7.741 -2.013 -24.473 1.00 1.00 O ATOM 268 CB LYS A 17 -5.557 0.445 -24.379 1.00 1.00 C ATOM 269 CG LYS A 17 -5.918 1.931 -24.378 1.00 1.00 C ATOM 270 CD LYS A 17 -5.240 2.623 -25.562 1.00 1.00 C ATOM 271 CE LYS A 17 -6.240 2.768 -26.712 1.00 1.00 C ATOM 272 NZ LYS A 17 -7.330 3.697 -26.305 1.00 1.00 N ATOM 0 H LYS A 17 -4.850 -1.646 -23.247 1.00 1.00 H new ATOM 0 HA LYS A 17 -6.779 0.388 -22.607 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -4.510 0.314 -24.106 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -5.680 0.031 -25.380 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -6.999 2.053 -24.442 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -5.600 2.392 -23.443 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -4.872 3.604 -25.261 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -4.376 2.044 -25.889 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -5.736 3.148 -27.601 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -6.655 1.794 -26.973 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -8.113 3.153 -25.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -6.966 4.372 -25.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -7.673 4.216 -27.138 1.00 1.00 H new ATOM 286 N ASN A 18 -8.665 0.035 -24.334 1.00 1.00 N ATOM 287 CA ASN A 18 -9.888 -0.363 -25.019 1.00 1.00 C ATOM 288 C ASN A 18 -10.579 0.852 -25.629 1.00 1.00 C ATOM 289 O ASN A 18 -10.053 1.485 -26.544 1.00 1.00 O ATOM 290 CB ASN A 18 -10.837 -1.054 -24.037 1.00 1.00 C ATOM 291 CG ASN A 18 -12.120 -1.462 -24.752 1.00 1.00 C ATOM 292 OD1 ASN A 18 -13.202 -1.403 -24.168 1.00 1.00 O ATOM 293 ND2 ASN A 18 -12.065 -1.875 -25.988 1.00 1.00 N ATOM 0 H ASN A 18 -8.637 1.014 -24.048 1.00 1.00 H new ATOM 0 HA ASN A 18 -9.626 -1.057 -25.818 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -10.354 -1.933 -23.609 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -11.069 -0.383 -23.210 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -12.920 -2.150 -26.472 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -11.167 -1.923 -26.470 1.00 1.00 H new ATOM 300 N ASN A 19 -11.763 1.173 -25.115 1.00 1.00 N ATOM 301 CA ASN A 19 -12.519 2.315 -25.618 1.00 1.00 C ATOM 302 C ASN A 19 -11.686 3.591 -25.524 1.00 1.00 C ATOM 303 O ASN A 19 -10.913 3.906 -26.428 1.00 1.00 O ATOM 304 CB ASN A 19 -13.807 2.483 -24.811 1.00 1.00 C ATOM 305 CG ASN A 19 -14.800 1.387 -25.180 1.00 1.00 C ATOM 306 OD1 ASN A 19 -15.193 1.269 -26.341 1.00 1.00 O ATOM 307 ND2 ASN A 19 -15.232 0.573 -24.256 1.00 1.00 N ATOM 0 H ASN A 19 -12.216 0.663 -24.357 1.00 1.00 H new ATOM 0 HA ASN A 19 -12.767 2.133 -26.664 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -13.586 2.441 -23.745 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -14.244 3.462 -25.007 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -15.897 -0.163 -24.495 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -14.905 0.673 -23.295 1.00 1.00 H new ATOM 314 N SER A 20 -11.852 4.319 -24.426 1.00 1.00 N ATOM 315 CA SER A 20 -11.113 5.560 -24.225 1.00 1.00 C ATOM 316 C SER A 20 -11.333 6.093 -22.813 1.00 1.00 C ATOM 317 O SER A 20 -10.855 5.514 -21.838 1.00 1.00 O ATOM 318 CB SER A 20 -11.562 6.607 -25.244 1.00 1.00 C ATOM 319 OG SER A 20 -12.979 6.704 -25.223 1.00 1.00 O ATOM 0 H SER A 20 -12.487 4.074 -23.666 1.00 1.00 H new ATOM 0 HA SER A 20 -10.051 5.354 -24.361 1.00 1.00 H new ATOM 0 HB2 SER A 20 -11.116 7.574 -25.010 1.00 1.00 H new ATOM 0 HB3 SER A 20 -11.219 6.331 -26.241 1.00 1.00 H new ATOM 0 HG SER A 20 -13.271 7.376 -25.874 1.00 1.00 H new ATOM 325 N GLY A 21 -12.061 7.201 -22.711 1.00 1.00 N ATOM 326 CA GLY A 21 -12.340 7.803 -21.413 1.00 1.00 C ATOM 327 C GLY A 21 -13.339 6.963 -20.626 1.00 1.00 C ATOM 328 O GLY A 21 -13.677 7.289 -19.489 1.00 1.00 O ATOM 0 H GLY A 21 -12.465 7.697 -23.506 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -11.414 7.900 -20.846 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -12.735 8.809 -21.552 1.00 1.00 H new ATOM 332 N GLY A 22 -13.808 5.883 -21.241 1.00 1.00 N ATOM 333 CA GLY A 22 -14.770 5.002 -20.587 1.00 1.00 C ATOM 334 C GLY A 22 -14.075 3.798 -19.969 1.00 1.00 C ATOM 335 O GLY A 22 -12.995 3.398 -20.401 1.00 1.00 O ATOM 0 H GLY A 22 -13.541 5.598 -22.183 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -15.306 5.553 -19.814 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -15.512 4.666 -21.312 1.00 1.00 H new ATOM 339 N THR A 23 -14.708 3.226 -18.954 1.00 1.00 N ATOM 340 CA THR A 23 -14.151 2.066 -18.275 1.00 1.00 C ATOM 341 C THR A 23 -12.915 2.455 -17.471 1.00 1.00 C ATOM 342 O THR A 23 -12.003 3.102 -17.989 1.00 1.00 O ATOM 343 CB THR A 23 -13.781 0.989 -19.297 1.00 1.00 C ATOM 344 OG1 THR A 23 -14.687 1.043 -20.389 1.00 1.00 O ATOM 345 CG2 THR A 23 -13.855 -0.389 -18.637 1.00 1.00 C ATOM 0 H THR A 23 -15.604 3.545 -18.584 1.00 1.00 H new ATOM 0 HA THR A 23 -14.904 1.674 -17.592 1.00 1.00 H new ATOM 0 HB THR A 23 -12.767 1.163 -19.658 1.00 1.00 H new ATOM 0 HG1 THR A 23 -14.450 0.355 -21.045 1.00 1.00 H new ATOM 0 HG21 THR A 23 -13.591 -1.156 -19.365 1.00 1.00 H new ATOM 0 HG22 THR A 23 -13.158 -0.429 -17.800 1.00 1.00 H new ATOM 0 HG23 THR A 23 -14.868 -0.565 -18.275 1.00 1.00 H new ATOM 353 N ASN A 24 -12.890 2.058 -16.204 1.00 1.00 N ATOM 354 CA ASN A 24 -11.761 2.371 -15.335 1.00 1.00 C ATOM 355 C ASN A 24 -11.285 3.801 -15.566 1.00 1.00 C ATOM 356 O ASN A 24 -10.095 4.097 -15.450 1.00 1.00 O ATOM 357 CB ASN A 24 -10.610 1.399 -15.604 1.00 1.00 C ATOM 358 CG ASN A 24 -9.458 1.678 -14.645 1.00 1.00 C ATOM 359 OD1 ASN A 24 -8.454 2.273 -15.037 1.00 1.00 O ATOM 360 ND2 ASN A 24 -9.542 1.283 -13.405 1.00 1.00 N ATOM 0 H ASN A 24 -13.634 1.522 -15.757 1.00 1.00 H new ATOM 0 HA ASN A 24 -12.087 2.272 -14.300 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -10.954 0.372 -15.483 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -10.269 1.502 -16.634 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.775 1.467 -12.758 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -10.375 0.790 -13.082 1.00 1.00 H new ATOM 367 N GLY A 25 -12.221 4.686 -15.896 1.00 1.00 N ATOM 368 CA GLY A 25 -11.884 6.083 -16.141 1.00 1.00 C ATOM 369 C GLY A 25 -11.267 6.721 -14.902 1.00 1.00 C ATOM 370 O GLY A 25 -10.605 6.047 -14.111 1.00 1.00 O ATOM 0 H GLY A 25 -13.211 4.463 -15.999 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -11.186 6.152 -16.976 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -12.780 6.632 -16.429 1.00 1.00 H new ATOM 374 N ASP A 26 -11.486 8.021 -14.739 1.00 1.00 N ATOM 375 CA ASP A 26 -10.944 8.739 -13.591 1.00 1.00 C ATOM 376 C ASP A 26 -11.678 10.061 -13.392 1.00 1.00 C ATOM 377 O ASP A 26 -11.055 11.118 -13.283 1.00 1.00 O ATOM 378 CB ASP A 26 -9.452 9.006 -13.798 1.00 1.00 C ATOM 379 CG ASP A 26 -9.244 9.867 -15.040 1.00 1.00 C ATOM 380 OD1 ASP A 26 -9.782 9.516 -16.076 1.00 1.00 O ATOM 381 OD2 ASP A 26 -8.550 10.864 -14.936 1.00 1.00 O ATOM 0 H ASP A 26 -12.031 8.596 -15.382 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.081 8.123 -12.702 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.039 9.509 -12.923 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -8.917 8.063 -13.905 1.00 1.00 H new ATOM 386 N ARG A 27 -13.004 9.996 -13.345 1.00 1.00 N ATOM 387 CA ARG A 27 -13.813 11.195 -13.157 1.00 1.00 C ATOM 388 C ARG A 27 -15.221 10.826 -12.699 1.00 1.00 C ATOM 389 O ARG A 27 -16.095 11.685 -12.595 1.00 1.00 O ATOM 390 CB ARG A 27 -13.890 11.982 -14.467 1.00 1.00 C ATOM 391 CG ARG A 27 -14.554 11.120 -15.543 1.00 1.00 C ATOM 392 CD ARG A 27 -13.664 11.081 -16.786 1.00 1.00 C ATOM 393 NE ARG A 27 -13.390 12.435 -17.254 1.00 1.00 N ATOM 394 CZ ARG A 27 -12.545 12.659 -18.255 1.00 1.00 C ATOM 395 NH1 ARG A 27 -11.945 11.658 -18.838 1.00 1.00 N ATOM 396 NH2 ARG A 27 -12.316 13.880 -18.655 1.00 1.00 N ATOM 0 H ARG A 27 -13.539 9.132 -13.434 1.00 1.00 H new ATOM 0 HA ARG A 27 -13.344 11.811 -12.390 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -14.459 12.900 -14.319 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -12.890 12.275 -14.787 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -14.716 10.110 -15.166 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -15.533 11.526 -15.796 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -12.728 10.572 -16.556 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -14.153 10.508 -17.574 1.00 1.00 H new ATOM 0 HE ARG A 27 -13.855 13.224 -16.805 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -12.124 10.704 -18.526 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -11.296 11.830 -19.606 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -12.786 14.662 -18.199 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -11.667 14.052 -19.423 1.00 1.00 H new ATOM 410 N ASN A 28 -15.431 9.541 -12.428 1.00 1.00 N ATOM 411 CA ASN A 28 -16.736 9.070 -11.980 1.00 1.00 C ATOM 412 C ASN A 28 -16.741 8.857 -10.470 1.00 1.00 C ATOM 413 O ASN A 28 -17.295 7.875 -9.975 1.00 1.00 O ATOM 414 CB ASN A 28 -17.086 7.758 -12.684 1.00 1.00 C ATOM 415 CG ASN A 28 -16.596 7.793 -14.127 1.00 1.00 C ATOM 416 OD1 ASN A 28 -17.395 7.697 -15.058 1.00 1.00 O ATOM 417 ND2 ASN A 28 -15.321 7.925 -14.370 1.00 1.00 N ATOM 0 H ASN A 28 -14.721 8.814 -12.510 1.00 1.00 H new ATOM 0 HA ASN A 28 -17.480 9.827 -12.230 1.00 1.00 H new ATOM 0 HB2 ASN A 28 -16.630 6.920 -12.157 1.00 1.00 H new ATOM 0 HB3 ASN A 28 -18.164 7.600 -12.661 1.00 1.00 H new ATOM 0 HD21 ASN A 28 -14.985 7.949 -15.333 1.00 1.00 H new ATOM 0 HD22 ASN A 28 -14.660 8.004 -13.597 1.00 1.00 H new ATOM 424 N SER A 29 -16.121 9.786 -9.746 1.00 1.00 N ATOM 425 CA SER A 29 -16.054 9.700 -8.290 1.00 1.00 C ATOM 426 C SER A 29 -15.858 8.257 -7.838 1.00 1.00 C ATOM 427 O SER A 29 -16.782 7.624 -7.329 1.00 1.00 O ATOM 428 CB SER A 29 -17.338 10.257 -7.676 1.00 1.00 C ATOM 429 OG SER A 29 -17.112 10.554 -6.304 1.00 1.00 O ATOM 0 H SER A 29 -15.659 10.604 -10.143 1.00 1.00 H new ATOM 0 HA SER A 29 -15.201 10.289 -7.953 1.00 1.00 H new ATOM 0 HB2 SER A 29 -17.649 11.156 -8.208 1.00 1.00 H new ATOM 0 HB3 SER A 29 -18.146 9.532 -7.775 1.00 1.00 H new ATOM 0 HG SER A 29 -17.933 10.913 -5.907 1.00 1.00 H new ATOM 435 N GLY A 30 -14.649 7.741 -8.030 1.00 1.00 N ATOM 436 CA GLY A 30 -14.342 6.369 -7.639 1.00 1.00 C ATOM 437 C GLY A 30 -14.346 5.444 -8.851 1.00 1.00 C ATOM 438 O GLY A 30 -13.975 5.848 -9.953 1.00 1.00 O ATOM 0 H GLY A 30 -13.870 8.247 -8.451 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -13.367 6.335 -7.153 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -15.074 6.022 -6.909 1.00 1.00 H new ATOM 442 N ALA A 31 -14.765 4.201 -8.639 1.00 1.00 N ATOM 443 CA ALA A 31 -14.811 3.226 -9.722 1.00 1.00 C ATOM 444 C ALA A 31 -15.658 2.021 -9.323 1.00 1.00 C ATOM 445 O ALA A 31 -16.358 2.051 -8.311 1.00 1.00 O ATOM 446 CB ALA A 31 -13.395 2.764 -10.070 1.00 1.00 C ATOM 0 H ALA A 31 -15.075 3.847 -7.734 1.00 1.00 H new ATOM 0 HA ALA A 31 -15.262 3.700 -10.593 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -13.439 2.036 -10.880 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -12.800 3.621 -10.384 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -12.936 2.305 -9.194 1.00 1.00 H new ATOM 452 N ASN A 32 -15.589 0.964 -10.125 1.00 1.00 N ATOM 453 CA ASN A 32 -16.355 -0.245 -9.846 1.00 1.00 C ATOM 454 C ASN A 32 -15.627 -1.118 -8.829 1.00 1.00 C ATOM 455 O ASN A 32 -14.492 -1.538 -9.056 1.00 1.00 O ATOM 456 CB ASN A 32 -16.571 -1.036 -11.138 1.00 1.00 C ATOM 457 CG ASN A 32 -18.034 -1.451 -11.256 1.00 1.00 C ATOM 458 OD1 ASN A 32 -18.360 -2.629 -11.114 1.00 1.00 O ATOM 459 ND2 ASN A 32 -18.940 -0.545 -11.509 1.00 1.00 N ATOM 0 H ASN A 32 -15.015 0.919 -10.967 1.00 1.00 H new ATOM 0 HA ASN A 32 -17.320 0.047 -9.433 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -16.286 -0.430 -11.998 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -15.932 -1.919 -11.145 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -19.921 -0.813 -11.589 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -18.667 0.431 -11.626 1.00 1.00 H new ATOM 466 N ASN A 33 -16.287 -1.386 -7.706 1.00 1.00 N ATOM 467 CA ASN A 33 -15.692 -2.211 -6.661 1.00 1.00 C ATOM 468 C ASN A 33 -15.431 -3.623 -7.176 1.00 1.00 C ATOM 469 O ASN A 33 -15.398 -3.857 -8.384 1.00 1.00 O ATOM 470 CB ASN A 33 -16.624 -2.270 -5.449 1.00 1.00 C ATOM 471 CG ASN A 33 -15.810 -2.218 -4.161 1.00 1.00 C ATOM 472 OD1 ASN A 33 -15.514 -1.135 -3.657 1.00 1.00 O ATOM 473 ND2 ASN A 33 -15.429 -3.331 -3.596 1.00 1.00 N ATOM 0 H ASN A 33 -17.226 -1.047 -7.498 1.00 1.00 H new ATOM 0 HA ASN A 33 -14.742 -1.764 -6.367 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -17.326 -1.437 -5.479 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -17.215 -3.186 -5.479 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -14.884 -3.305 -2.734 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -15.676 -4.227 -4.016 1.00 1.00 H new ATOM 480 N GLY A 34 -15.246 -4.559 -6.252 1.00 1.00 N ATOM 481 CA GLY A 34 -14.989 -5.945 -6.624 1.00 1.00 C ATOM 482 C GLY A 34 -14.423 -6.729 -5.446 1.00 1.00 C ATOM 483 O GLY A 34 -15.056 -6.837 -4.396 1.00 1.00 O ATOM 0 H GLY A 34 -15.269 -4.385 -5.247 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -15.913 -6.411 -6.966 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -14.288 -5.978 -7.458 1.00 1.00 H new ATOM 487 N GLY A 35 -13.225 -7.274 -5.626 1.00 1.00 N ATOM 488 CA GLY A 35 -12.580 -8.047 -4.570 1.00 1.00 C ATOM 489 C GLY A 35 -11.387 -8.825 -5.115 1.00 1.00 C ATOM 490 O GLY A 35 -10.236 -8.478 -4.852 1.00 1.00 O ATOM 0 H GLY A 35 -12.684 -7.196 -6.487 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -12.250 -7.379 -3.774 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -13.299 -8.738 -4.129 1.00 1.00 H new ATOM 494 N GLY A 36 -11.670 -9.876 -5.877 1.00 1.00 N ATOM 495 CA GLY A 36 -10.612 -10.696 -6.454 1.00 1.00 C ATOM 496 C GLY A 36 -10.121 -10.104 -7.770 1.00 1.00 C ATOM 497 O GLY A 36 -8.916 -10.024 -8.011 1.00 1.00 O ATOM 0 H GLY A 36 -12.616 -10.178 -6.108 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.781 -10.771 -5.752 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.981 -11.708 -6.621 1.00 1.00 H new ATOM 501 N GLU A 37 -11.066 -9.687 -8.613 1.00 1.00 N ATOM 502 CA GLU A 37 -10.740 -9.099 -9.911 1.00 1.00 C ATOM 503 C GLU A 37 -9.488 -9.738 -10.505 1.00 1.00 C ATOM 504 O GLU A 37 -8.549 -9.042 -10.894 1.00 1.00 O ATOM 505 CB GLU A 37 -10.521 -7.592 -9.758 1.00 1.00 C ATOM 506 CG GLU A 37 -11.700 -6.977 -9.004 1.00 1.00 C ATOM 507 CD GLU A 37 -11.929 -5.545 -9.471 1.00 1.00 C ATOM 508 OE1 GLU A 37 -12.533 -5.374 -10.517 1.00 1.00 O ATOM 509 OE2 GLU A 37 -11.495 -4.639 -8.778 1.00 1.00 O ATOM 0 H GLU A 37 -12.066 -9.746 -8.419 1.00 1.00 H new ATOM 0 HA GLU A 37 -11.575 -9.284 -10.586 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -9.593 -7.402 -9.219 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -10.421 -7.127 -10.739 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -12.599 -7.571 -9.172 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -11.504 -6.991 -7.932 1.00 1.00 H new ATOM 516 N ASN A 38 -9.481 -11.064 -10.573 1.00 1.00 N ATOM 517 CA ASN A 38 -8.340 -11.787 -11.123 1.00 1.00 C ATOM 518 C ASN A 38 -7.217 -11.874 -10.093 1.00 1.00 C ATOM 519 O ASN A 38 -7.051 -10.978 -9.265 1.00 1.00 O ATOM 520 CB ASN A 38 -7.829 -11.083 -12.381 1.00 1.00 C ATOM 521 CG ASN A 38 -7.285 -12.109 -13.369 1.00 1.00 C ATOM 522 OD1 ASN A 38 -8.040 -12.928 -13.894 1.00 1.00 O ATOM 523 ND2 ASN A 38 -6.013 -12.112 -13.656 1.00 1.00 N ATOM 0 H ASN A 38 -10.247 -11.658 -10.256 1.00 1.00 H new ATOM 0 HA ASN A 38 -8.663 -12.796 -11.380 1.00 1.00 H new ATOM 0 HB2 ASN A 38 -8.636 -10.514 -12.842 1.00 1.00 H new ATOM 0 HB3 ASN A 38 -7.048 -10.371 -12.117 1.00 1.00 H new ATOM 0 HD21 ASN A 38 -5.641 -12.794 -14.317 1.00 1.00 H new ATOM 0 HD22 ASN A 38 -5.390 -11.432 -13.220 1.00 1.00 H new ATOM 530 N SER A 39 -6.449 -12.956 -10.154 1.00 1.00 N ATOM 531 CA SER A 39 -5.344 -13.148 -9.221 1.00 1.00 C ATOM 532 C SER A 39 -4.119 -13.697 -9.947 1.00 1.00 C ATOM 533 O SER A 39 -4.241 -14.512 -10.862 1.00 1.00 O ATOM 534 CB SER A 39 -5.758 -14.117 -8.114 1.00 1.00 C ATOM 535 OG SER A 39 -7.015 -13.716 -7.586 1.00 1.00 O ATOM 0 H SER A 39 -6.569 -13.708 -10.833 1.00 1.00 H new ATOM 0 HA SER A 39 -5.091 -12.182 -8.783 1.00 1.00 H new ATOM 0 HB2 SER A 39 -5.823 -15.131 -8.508 1.00 1.00 H new ATOM 0 HB3 SER A 39 -5.006 -14.129 -7.325 1.00 1.00 H new ATOM 0 HG SER A 39 -7.285 -14.336 -6.877 1.00 1.00 H new ATOM 541 N ALA A 40 -2.940 -13.245 -9.531 1.00 1.00 N ATOM 542 CA ALA A 40 -1.697 -13.697 -10.149 1.00 1.00 C ATOM 543 C ALA A 40 -0.515 -12.885 -9.621 1.00 1.00 C ATOM 544 O ALA A 40 -0.693 -11.782 -9.101 1.00 1.00 O ATOM 545 CB ALA A 40 -1.780 -13.546 -11.670 1.00 1.00 C ATOM 0 H ALA A 40 -2.819 -12.571 -8.775 1.00 1.00 H new ATOM 0 HA ALA A 40 -1.549 -14.747 -9.898 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -0.848 -13.886 -12.121 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -2.607 -14.146 -12.051 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -1.945 -12.499 -11.923 1.00 1.00 H new ATOM 551 N PRO A 41 0.682 -13.402 -9.744 1.00 1.00 N ATOM 552 CA PRO A 41 1.912 -12.702 -9.269 1.00 1.00 C ATOM 553 C PRO A 41 2.234 -11.471 -10.114 1.00 1.00 C ATOM 554 O PRO A 41 2.731 -11.590 -11.234 1.00 1.00 O ATOM 555 CB PRO A 41 3.012 -13.756 -9.401 1.00 1.00 C ATOM 556 CG PRO A 41 2.522 -14.715 -10.434 1.00 1.00 C ATOM 557 CD PRO A 41 0.998 -14.708 -10.348 1.00 1.00 C ATOM 0 HA PRO A 41 1.799 -12.328 -8.251 1.00 1.00 H new ATOM 0 HB2 PRO A 41 3.956 -13.302 -9.703 1.00 1.00 H new ATOM 0 HB3 PRO A 41 3.190 -14.259 -8.451 1.00 1.00 H new ATOM 0 HG2 PRO A 41 2.855 -14.417 -11.428 1.00 1.00 H new ATOM 0 HG3 PRO A 41 2.916 -15.715 -10.252 1.00 1.00 H new ATOM 0 HD2 PRO A 41 0.542 -14.813 -11.332 1.00 1.00 H new ATOM 0 HD3 PRO A 41 0.629 -15.531 -9.736 1.00 1.00 H new ATOM 565 N VAL A 42 1.950 -10.294 -9.569 1.00 1.00 N ATOM 566 CA VAL A 42 2.214 -9.050 -10.283 1.00 1.00 C ATOM 567 C VAL A 42 2.583 -7.939 -9.305 1.00 1.00 C ATOM 568 O VAL A 42 1.955 -6.880 -9.287 1.00 1.00 O ATOM 569 CB VAL A 42 0.981 -8.636 -11.087 1.00 1.00 C ATOM 570 CG1 VAL A 42 0.907 -9.466 -12.369 1.00 1.00 C ATOM 571 CG2 VAL A 42 -0.278 -8.878 -10.251 1.00 1.00 C ATOM 0 H VAL A 42 1.540 -10.175 -8.643 1.00 1.00 H new ATOM 0 HA VAL A 42 3.051 -9.214 -10.962 1.00 1.00 H new ATOM 0 HB VAL A 42 1.051 -7.578 -11.341 1.00 1.00 H new ATOM 0 HG11 VAL A 42 0.028 -9.172 -12.943 1.00 1.00 H new ATOM 0 HG12 VAL A 42 1.804 -9.296 -12.965 1.00 1.00 H new ATOM 0 HG13 VAL A 42 0.836 -10.523 -12.114 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -1.157 -8.583 -10.824 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -0.348 -9.936 -9.997 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -0.226 -8.288 -9.336 1.00 1.00 H new ATOM 581 N GLY A 43 3.603 -8.189 -8.492 1.00 1.00 N ATOM 582 CA GLY A 43 4.046 -7.201 -7.516 1.00 1.00 C ATOM 583 C GLY A 43 4.525 -7.877 -6.237 1.00 1.00 C ATOM 584 O GLY A 43 5.463 -7.411 -5.590 1.00 1.00 O ATOM 0 H GLY A 43 4.135 -9.059 -8.489 1.00 1.00 H new ATOM 0 HA2 GLY A 43 4.852 -6.602 -7.939 1.00 1.00 H new ATOM 0 HA3 GLY A 43 3.228 -6.518 -7.287 1.00 1.00 H new ATOM 588 N ALA A 44 3.875 -8.979 -5.875 1.00 1.00 N ATOM 589 CA ALA A 44 4.245 -9.711 -4.670 1.00 1.00 C ATOM 590 C ALA A 44 5.746 -9.978 -4.648 1.00 1.00 C ATOM 591 O ALA A 44 6.342 -10.146 -3.584 1.00 1.00 O ATOM 592 CB ALA A 44 3.488 -11.039 -4.612 1.00 1.00 C ATOM 0 H ALA A 44 3.095 -9.382 -6.395 1.00 1.00 H new ATOM 0 HA ALA A 44 3.981 -9.105 -3.803 1.00 1.00 H new ATOM 0 HB1 ALA A 44 3.770 -11.580 -3.709 1.00 1.00 H new ATOM 0 HB2 ALA A 44 2.415 -10.846 -4.599 1.00 1.00 H new ATOM 0 HB3 ALA A 44 3.738 -11.639 -5.487 1.00 1.00 H new ATOM 598 N ALA A 45 6.352 -10.012 -5.831 1.00 1.00 N ATOM 599 CA ALA A 45 7.785 -10.257 -5.937 1.00 1.00 C ATOM 600 C ALA A 45 8.572 -9.114 -5.303 1.00 1.00 C ATOM 601 O ALA A 45 9.632 -9.329 -4.716 1.00 1.00 O ATOM 602 CB ALA A 45 8.183 -10.399 -7.408 1.00 1.00 C ATOM 0 H ALA A 45 5.877 -9.874 -6.723 1.00 1.00 H new ATOM 0 HA ALA A 45 8.017 -11.181 -5.407 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.255 -10.582 -7.479 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.642 -11.235 -7.852 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.935 -9.482 -7.942 1.00 1.00 H new ATOM 608 N ILE A 46 8.046 -7.899 -5.425 1.00 1.00 N ATOM 609 CA ILE A 46 8.708 -6.730 -4.860 1.00 1.00 C ATOM 610 C ILE A 46 8.025 -6.302 -3.564 1.00 1.00 C ATOM 611 O ILE A 46 8.645 -5.685 -2.698 1.00 1.00 O ATOM 612 CB ILE A 46 8.671 -5.574 -5.863 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.234 -5.369 -6.349 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.567 -5.901 -7.060 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.144 -4.060 -7.135 1.00 1.00 C ATOM 0 H ILE A 46 7.169 -7.700 -5.907 1.00 1.00 H new ATOM 0 HA ILE A 46 9.744 -6.991 -4.643 1.00 1.00 H new ATOM 0 HB ILE A 46 9.029 -4.665 -5.379 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.929 -6.205 -6.978 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.552 -5.343 -5.499 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.538 -5.076 -7.772 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.591 -6.050 -6.718 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.210 -6.810 -7.544 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.121 -3.913 -7.481 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.432 -3.229 -6.492 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.815 -4.104 -7.993 1.00 1.00 H new ATOM 627 N ALA A 47 6.745 -6.635 -3.438 1.00 1.00 N ATOM 628 CA ALA A 47 5.986 -6.283 -2.243 1.00 1.00 C ATOM 629 C ALA A 47 6.535 -7.014 -1.023 1.00 1.00 C ATOM 630 O ALA A 47 6.362 -6.568 0.111 1.00 1.00 O ATOM 631 CB ALA A 47 4.511 -6.642 -2.435 1.00 1.00 C ATOM 0 H ALA A 47 6.214 -7.145 -4.144 1.00 1.00 H new ATOM 0 HA ALA A 47 6.080 -5.209 -2.081 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.952 -6.376 -1.538 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.111 -6.094 -3.288 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.418 -7.713 -2.616 1.00 1.00 H new ATOM 637 N ASN A 48 7.197 -8.141 -1.266 1.00 1.00 N ATOM 638 CA ASN A 48 7.769 -8.929 -0.181 1.00 1.00 C ATOM 639 C ASN A 48 9.128 -8.371 0.219 1.00 1.00 C ATOM 640 O ASN A 48 9.636 -8.654 1.304 1.00 1.00 O ATOM 641 CB ASN A 48 7.922 -10.386 -0.619 1.00 1.00 C ATOM 642 CG ASN A 48 8.585 -10.450 -1.992 1.00 1.00 C ATOM 643 OD1 ASN A 48 9.303 -9.528 -2.378 1.00 1.00 O ATOM 644 ND2 ASN A 48 8.384 -11.488 -2.757 1.00 1.00 N ATOM 0 H ASN A 48 7.350 -8.527 -2.198 1.00 1.00 H new ATOM 0 HA ASN A 48 7.098 -8.878 0.677 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.521 -10.933 0.109 1.00 1.00 H new ATOM 0 HB3 ASN A 48 6.945 -10.868 -0.655 1.00 1.00 H new ATOM 0 HD21 ASN A 48 8.822 -11.536 -3.677 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.789 -12.251 -2.435 1.00 1.00 H new ATOM 651 N PHE A 49 9.711 -7.574 -0.670 1.00 1.00 N ATOM 652 CA PHE A 49 11.012 -6.978 -0.407 1.00 1.00 C ATOM 653 C PHE A 49 10.882 -5.822 0.579 1.00 1.00 C ATOM 654 O PHE A 49 11.850 -5.108 0.844 1.00 1.00 O ATOM 655 CB PHE A 49 11.626 -6.482 -1.719 1.00 1.00 C ATOM 656 CG PHE A 49 12.796 -7.363 -2.088 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.624 -8.751 -2.171 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.049 -6.797 -2.346 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.707 -9.571 -2.509 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.132 -7.616 -2.685 1.00 1.00 C ATOM 661 CZ PHE A 49 14.961 -9.004 -2.767 1.00 1.00 C ATOM 0 H PHE A 49 9.305 -7.328 -1.573 1.00 1.00 H new ATOM 0 HA PHE A 49 11.662 -7.734 0.033 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.879 -6.499 -2.513 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.954 -5.448 -1.612 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.656 -9.188 -1.974 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.181 -5.727 -2.284 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.575 -10.641 -2.571 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.099 -7.178 -2.883 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.796 -9.637 -3.029 1.00 1.00 H new ATOM 671 N LEU A 50 9.682 -5.654 1.124 1.00 1.00 N ATOM 672 CA LEU A 50 9.426 -4.592 2.093 1.00 1.00 C ATOM 673 C LEU A 50 8.767 -5.169 3.345 1.00 1.00 C ATOM 674 O LEU A 50 7.626 -5.631 3.304 1.00 1.00 O ATOM 675 CB LEU A 50 8.513 -3.516 1.477 1.00 1.00 C ATOM 676 CG LEU A 50 9.296 -2.605 0.509 1.00 1.00 C ATOM 677 CD1 LEU A 50 9.085 -3.073 -0.933 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.786 -1.168 0.644 1.00 1.00 C ATOM 0 H LEU A 50 8.872 -6.237 0.913 1.00 1.00 H new ATOM 0 HA LEU A 50 10.378 -4.137 2.367 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.691 -3.995 0.945 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.071 -2.913 2.270 1.00 1.00 H new ATOM 0 HG LEU A 50 10.357 -2.651 0.755 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.641 -2.425 -1.611 1.00 1.00 H new ATOM 0 HD12 LEU A 50 9.440 -4.098 -1.038 1.00 1.00 H new ATOM 0 HD13 LEU A 50 8.024 -3.029 -1.178 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.337 -0.521 -0.038 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.724 -1.134 0.399 1.00 1.00 H new ATOM 0 HD23 LEU A 50 8.933 -0.824 1.668 1.00 1.00 H new ATOM 690 N GLU A 51 9.500 -5.140 4.456 1.00 1.00 N ATOM 691 CA GLU A 51 8.992 -5.662 5.723 1.00 1.00 C ATOM 692 C GLU A 51 7.628 -5.043 6.055 1.00 1.00 C ATOM 693 O GLU A 51 7.340 -3.922 5.639 1.00 1.00 O ATOM 694 CB GLU A 51 9.989 -5.342 6.843 1.00 1.00 C ATOM 695 CG GLU A 51 11.133 -6.361 6.829 1.00 1.00 C ATOM 696 CD GLU A 51 10.632 -7.726 7.290 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.168 -7.816 8.415 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.708 -8.657 6.506 1.00 1.00 O ATOM 0 H GLU A 51 10.446 -4.761 4.505 1.00 1.00 H new ATOM 0 HA GLU A 51 8.871 -6.742 5.634 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.386 -4.335 6.712 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.484 -5.363 7.809 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.548 -6.439 5.824 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.938 -6.023 7.481 1.00 1.00 H new ATOM 705 N PRO A 52 6.790 -5.738 6.793 1.00 1.00 N ATOM 706 CA PRO A 52 5.440 -5.221 7.175 1.00 1.00 C ATOM 707 C PRO A 52 5.523 -3.914 7.964 1.00 1.00 C ATOM 708 O PRO A 52 4.866 -2.931 7.619 1.00 1.00 O ATOM 709 CB PRO A 52 4.830 -6.337 8.034 1.00 1.00 C ATOM 710 CG PRO A 52 5.970 -7.210 8.438 1.00 1.00 C ATOM 711 CD PRO A 52 7.024 -7.084 7.344 1.00 1.00 C ATOM 0 HA PRO A 52 4.840 -4.987 6.296 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.324 -5.926 8.908 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.086 -6.901 7.471 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.373 -6.900 9.402 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.646 -8.245 8.546 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.033 -7.183 7.745 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.906 -7.855 6.583 1.00 1.00 H new ATOM 719 N GLN A 53 6.332 -3.907 9.020 1.00 1.00 N ATOM 720 CA GLN A 53 6.482 -2.707 9.836 1.00 1.00 C ATOM 721 C GLN A 53 7.029 -1.566 8.986 1.00 1.00 C ATOM 722 O GLN A 53 6.505 -0.453 9.006 1.00 1.00 O ATOM 723 CB GLN A 53 7.430 -2.982 11.004 1.00 1.00 C ATOM 724 CG GLN A 53 7.289 -1.876 12.053 1.00 1.00 C ATOM 725 CD GLN A 53 8.631 -1.622 12.729 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.870 -2.105 13.836 1.00 1.00 O ATOM 727 NE2 GLN A 53 9.525 -0.888 12.127 1.00 1.00 N ATOM 0 H GLN A 53 6.886 -4.706 9.327 1.00 1.00 H new ATOM 0 HA GLN A 53 5.506 -2.424 10.230 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.203 -3.950 11.450 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.459 -3.029 10.647 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.931 -0.961 11.582 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.546 -2.163 12.798 1.00 1.00 H new ATOM 0 HE21 GLN A 53 9.324 -0.489 11.210 1.00 1.00 H new ATOM 0 HE22 GLN A 53 10.425 -0.713 12.573 1.00 1.00 H new ATOM 736 N ALA A 54 8.080 -1.861 8.229 1.00 1.00 N ATOM 737 CA ALA A 54 8.686 -0.861 7.360 1.00 1.00 C ATOM 738 C ALA A 54 7.662 -0.379 6.340 1.00 1.00 C ATOM 739 O ALA A 54 7.709 0.763 5.881 1.00 1.00 O ATOM 740 CB ALA A 54 9.898 -1.452 6.638 1.00 1.00 C ATOM 0 H ALA A 54 8.527 -2.777 8.200 1.00 1.00 H new ATOM 0 HA ALA A 54 9.016 -0.018 7.967 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.342 -0.695 5.992 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.634 -1.780 7.372 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.583 -2.304 6.035 1.00 1.00 H new ATOM 746 N LEU A 55 6.734 -1.263 6.000 1.00 1.00 N ATOM 747 CA LEU A 55 5.690 -0.926 5.037 1.00 1.00 C ATOM 748 C LEU A 55 4.833 0.217 5.569 1.00 1.00 C ATOM 749 O LEU A 55 4.529 1.168 4.849 1.00 1.00 O ATOM 750 CB LEU A 55 4.807 -2.146 4.766 1.00 1.00 C ATOM 751 CG LEU A 55 4.781 -2.434 3.264 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.935 -3.682 2.998 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.171 -1.240 2.528 1.00 1.00 C ATOM 0 H LEU A 55 6.681 -2.211 6.372 1.00 1.00 H new ATOM 0 HA LEU A 55 6.164 -0.615 4.106 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.189 -3.012 5.306 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.796 -1.964 5.130 1.00 1.00 H new ATOM 0 HG LEU A 55 5.798 -2.601 2.908 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.916 -3.888 1.928 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.367 -4.533 3.523 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.918 -3.515 3.353 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.152 -1.444 1.457 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.154 -1.074 2.884 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.772 -0.350 2.717 1.00 1.00 H new ATOM 765 N GLU A 56 4.452 0.118 6.838 1.00 1.00 N ATOM 766 CA GLU A 56 3.636 1.151 7.461 1.00 1.00 C ATOM 767 C GLU A 56 4.344 2.500 7.390 1.00 1.00 C ATOM 768 O GLU A 56 3.705 3.540 7.228 1.00 1.00 O ATOM 769 CB GLU A 56 3.359 0.793 8.923 1.00 1.00 C ATOM 770 CG GLU A 56 1.929 0.262 9.051 1.00 1.00 C ATOM 771 CD GLU A 56 1.675 -0.221 10.475 1.00 1.00 C ATOM 772 OE1 GLU A 56 1.472 0.618 11.337 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.674 -1.425 10.679 1.00 1.00 O ATOM 0 H GLU A 56 4.693 -0.661 7.451 1.00 1.00 H new ATOM 0 HA GLU A 56 2.691 1.217 6.922 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.070 0.042 9.267 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.491 1.671 9.556 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.217 1.046 8.792 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.772 -0.556 8.348 1.00 1.00 H new ATOM 780 N ARG A 57 5.668 2.476 7.511 1.00 1.00 N ATOM 781 CA ARG A 57 6.450 3.696 7.459 1.00 1.00 C ATOM 782 C ARG A 57 6.223 4.421 6.138 1.00 1.00 C ATOM 783 O ARG A 57 5.954 5.621 6.119 1.00 1.00 O ATOM 784 CB ARG A 57 7.934 3.357 7.614 1.00 1.00 C ATOM 785 CG ARG A 57 8.540 4.181 8.752 1.00 1.00 C ATOM 786 CD ARG A 57 8.470 5.678 8.427 1.00 1.00 C ATOM 787 NE ARG A 57 8.586 5.909 6.993 1.00 1.00 N ATOM 788 CZ ARG A 57 9.774 6.051 6.414 1.00 1.00 C ATOM 789 NH1 ARG A 57 10.863 5.957 7.126 1.00 1.00 N ATOM 790 NH2 ARG A 57 9.851 6.283 5.132 1.00 1.00 N ATOM 0 H ARG A 57 6.216 1.626 7.645 1.00 1.00 H new ATOM 0 HA ARG A 57 6.136 4.350 8.272 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.053 2.293 7.820 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.462 3.563 6.683 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.005 3.979 9.680 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.577 3.885 8.911 1.00 1.00 H new ATOM 0 HD2 ARG A 57 7.528 6.088 8.790 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.269 6.205 8.949 1.00 1.00 H new ATOM 0 HE ARG A 57 7.741 5.963 6.424 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.803 5.774 8.128 1.00 1.00 H new ATOM 0 HH12 ARG A 57 11.774 6.066 6.681 1.00 1.00 H new ATOM 0 HH21 ARG A 57 9.000 6.355 4.575 1.00 1.00 H new ATOM 0 HH22 ARG A 57 10.762 6.392 4.687 1.00 1.00 H new ATOM 804 N LEU A 58 6.327 3.687 5.034 1.00 1.00 N ATOM 805 CA LEU A 58 6.121 4.284 3.721 1.00 1.00 C ATOM 806 C LEU A 58 4.747 4.935 3.652 1.00 1.00 C ATOM 807 O LEU A 58 4.551 5.950 2.983 1.00 1.00 O ATOM 808 CB LEU A 58 6.240 3.224 2.639 1.00 1.00 C ATOM 809 CG LEU A 58 7.714 3.038 2.308 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.950 1.616 1.831 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.124 4.022 1.210 1.00 1.00 C ATOM 0 H LEU A 58 6.550 2.692 5.022 1.00 1.00 H new ATOM 0 HA LEU A 58 6.885 5.044 3.560 1.00 1.00 H new ATOM 0 HB2 LEU A 58 5.806 2.284 2.980 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.687 3.526 1.750 1.00 1.00 H new ATOM 0 HG LEU A 58 8.311 3.226 3.200 1.00 1.00 H new ATOM 0 HD11 LEU A 58 9.005 1.482 1.594 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.663 0.917 2.616 1.00 1.00 H new ATOM 0 HD13 LEU A 58 7.351 1.427 0.940 1.00 1.00 H new ATOM 0 HD21 LEU A 58 9.180 3.886 0.975 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.527 3.839 0.316 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.957 5.042 1.555 1.00 1.00 H new ATOM 823 N SER A 59 3.799 4.340 4.350 1.00 1.00 N ATOM 824 CA SER A 59 2.445 4.872 4.381 1.00 1.00 C ATOM 825 C SER A 59 2.423 6.222 5.095 1.00 1.00 C ATOM 826 O SER A 59 1.737 7.152 4.671 1.00 1.00 O ATOM 827 CB SER A 59 1.514 3.892 5.098 1.00 1.00 C ATOM 828 OG SER A 59 2.053 2.581 5.006 1.00 1.00 O ATOM 0 H SER A 59 3.937 3.493 4.901 1.00 1.00 H new ATOM 0 HA SER A 59 2.100 5.009 3.356 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.401 4.179 6.144 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.521 3.922 4.650 1.00 1.00 H new ATOM 0 HG SER A 59 1.390 1.932 5.322 1.00 1.00 H new ATOM 834 N ARG A 60 3.165 6.305 6.199 1.00 1.00 N ATOM 835 CA ARG A 60 3.218 7.526 7.002 1.00 1.00 C ATOM 836 C ARG A 60 3.898 8.683 6.269 1.00 1.00 C ATOM 837 O ARG A 60 3.398 9.807 6.283 1.00 1.00 O ATOM 838 CB ARG A 60 3.981 7.247 8.300 1.00 1.00 C ATOM 839 CG ARG A 60 3.544 8.237 9.386 1.00 1.00 C ATOM 840 CD ARG A 60 2.477 7.586 10.267 1.00 1.00 C ATOM 841 NE ARG A 60 3.017 6.397 10.912 1.00 1.00 N ATOM 842 CZ ARG A 60 2.294 5.687 11.771 1.00 1.00 C ATOM 843 NH1 ARG A 60 1.072 6.052 12.054 1.00 1.00 N ATOM 844 NH2 ARG A 60 2.801 4.623 12.330 1.00 1.00 N ATOM 0 H ARG A 60 3.738 5.541 6.558 1.00 1.00 H new ATOM 0 HA ARG A 60 2.189 7.822 7.207 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.793 6.225 8.630 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.054 7.334 8.127 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.401 8.531 9.991 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.150 9.145 8.929 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.135 8.295 11.021 1.00 1.00 H new ATOM 0 HD3 ARG A 60 1.609 7.319 9.664 1.00 1.00 H new ATOM 0 HE ARG A 60 3.970 6.103 10.700 1.00 1.00 H new ATOM 0 HH11 ARG A 60 0.673 6.882 11.615 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.517 5.507 12.714 1.00 1.00 H new ATOM 0 HH21 ARG A 60 3.754 4.335 12.108 1.00 1.00 H new ATOM 0 HH22 ARG A 60 2.245 4.079 12.989 1.00 1.00 H new ATOM 858 N VAL A 61 5.042 8.416 5.645 1.00 1.00 N ATOM 859 CA VAL A 61 5.768 9.468 4.935 1.00 1.00 C ATOM 860 C VAL A 61 5.009 9.910 3.685 1.00 1.00 C ATOM 861 O VAL A 61 4.845 11.104 3.441 1.00 1.00 O ATOM 862 CB VAL A 61 7.167 8.975 4.550 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.046 7.850 3.534 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.969 10.129 3.941 1.00 1.00 C ATOM 0 H VAL A 61 5.482 7.496 5.615 1.00 1.00 H new ATOM 0 HA VAL A 61 5.860 10.326 5.601 1.00 1.00 H new ATOM 0 HB VAL A 61 7.679 8.609 5.440 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.041 7.499 3.260 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.478 7.027 3.968 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.533 8.216 2.645 1.00 1.00 H new ATOM 0 HG21 VAL A 61 8.964 9.777 3.668 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.458 10.498 3.052 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.057 10.935 4.669 1.00 1.00 H new ATOM 874 N ALA A 62 4.563 8.942 2.892 1.00 1.00 N ATOM 875 CA ALA A 62 3.837 9.242 1.662 1.00 1.00 C ATOM 876 C ALA A 62 2.738 10.277 1.900 1.00 1.00 C ATOM 877 O ALA A 62 2.379 11.029 0.993 1.00 1.00 O ATOM 878 CB ALA A 62 3.217 7.963 1.100 1.00 1.00 C ATOM 0 H ALA A 62 4.690 7.947 3.077 1.00 1.00 H new ATOM 0 HA ALA A 62 4.548 9.656 0.947 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.676 8.194 0.182 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.005 7.241 0.886 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.527 7.541 1.831 1.00 1.00 H new ATOM 884 N LEU A 63 2.201 10.307 3.115 1.00 1.00 N ATOM 885 CA LEU A 63 1.136 11.253 3.442 1.00 1.00 C ATOM 886 C LEU A 63 1.670 12.679 3.523 1.00 1.00 C ATOM 887 O LEU A 63 0.915 13.641 3.388 1.00 1.00 O ATOM 888 CB LEU A 63 0.492 10.882 4.780 1.00 1.00 C ATOM 889 CG LEU A 63 -0.460 9.698 4.589 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.612 8.949 5.915 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.836 10.203 4.140 1.00 1.00 C ATOM 0 H LEU A 63 2.480 9.696 3.882 1.00 1.00 H new ATOM 0 HA LEU A 63 0.392 11.202 2.647 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.263 10.626 5.506 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.053 11.737 5.181 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.052 9.031 3.830 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.289 8.106 5.781 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.362 8.584 6.240 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.017 9.623 6.669 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.509 9.356 4.006 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.243 10.873 4.898 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.736 10.740 3.197 1.00 1.00 H new ATOM 903 N VAL A 64 2.970 12.810 3.761 1.00 1.00 N ATOM 904 CA VAL A 64 3.584 14.129 3.876 1.00 1.00 C ATOM 905 C VAL A 64 4.314 14.521 2.593 1.00 1.00 C ATOM 906 O VAL A 64 4.092 15.605 2.056 1.00 1.00 O ATOM 907 CB VAL A 64 4.565 14.145 5.050 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.495 15.502 5.748 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.187 13.046 6.045 1.00 1.00 C ATOM 0 H VAL A 64 3.614 12.028 3.877 1.00 1.00 H new ATOM 0 HA VAL A 64 2.789 14.854 4.049 1.00 1.00 H new ATOM 0 HB VAL A 64 5.576 13.972 4.682 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.193 15.517 6.585 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.759 16.289 5.041 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.483 15.670 6.116 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.886 13.057 6.882 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.176 13.221 6.414 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.230 12.076 5.549 1.00 1.00 H new ATOM 919 N ARG A 65 5.192 13.646 2.108 1.00 1.00 N ATOM 920 CA ARG A 65 5.942 13.943 0.890 1.00 1.00 C ATOM 921 C ARG A 65 6.118 12.697 0.027 1.00 1.00 C ATOM 922 O ARG A 65 7.112 11.979 0.146 1.00 1.00 O ATOM 923 CB ARG A 65 7.312 14.519 1.251 1.00 1.00 C ATOM 924 CG ARG A 65 7.152 15.977 1.691 1.00 1.00 C ATOM 925 CD ARG A 65 8.525 16.569 2.008 1.00 1.00 C ATOM 926 NE ARG A 65 9.141 17.094 0.795 1.00 1.00 N ATOM 927 CZ ARG A 65 10.063 18.048 0.850 1.00 1.00 C ATOM 928 NH1 ARG A 65 10.437 18.530 2.004 1.00 1.00 N ATOM 929 NH2 ARG A 65 10.599 18.503 -0.251 1.00 1.00 N ATOM 0 H ARG A 65 5.399 12.741 2.531 1.00 1.00 H new ATOM 0 HA ARG A 65 5.375 14.676 0.316 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.765 13.934 2.051 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.982 14.458 0.393 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.669 16.555 0.903 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.508 16.034 2.569 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.424 17.364 2.747 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.166 15.805 2.448 1.00 1.00 H new ATOM 0 HE ARG A 65 8.859 16.722 -0.112 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.021 18.174 2.864 1.00 1.00 H new ATOM 0 HH12 ARG A 65 11.145 19.263 2.045 1.00 1.00 H new ATOM 0 HH21 ARG A 65 10.309 18.125 -1.153 1.00 1.00 H new ATOM 0 HH22 ARG A 65 11.307 19.236 -0.208 1.00 1.00 H new ATOM 943 N ARG A 66 5.150 12.461 -0.850 1.00 1.00 N ATOM 944 CA ARG A 66 5.193 11.313 -1.749 1.00 1.00 C ATOM 945 C ARG A 66 6.423 11.378 -2.652 1.00 1.00 C ATOM 946 O ARG A 66 6.967 10.348 -3.052 1.00 1.00 O ATOM 947 CB ARG A 66 3.928 11.277 -2.609 1.00 1.00 C ATOM 948 CG ARG A 66 3.605 9.827 -2.978 1.00 1.00 C ATOM 949 CD ARG A 66 2.455 9.798 -3.987 1.00 1.00 C ATOM 950 NE ARG A 66 1.202 10.164 -3.335 1.00 1.00 N ATOM 951 CZ ARG A 66 0.557 9.303 -2.554 1.00 1.00 C ATOM 952 NH1 ARG A 66 1.046 8.110 -2.353 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.566 9.653 -1.987 1.00 1.00 N ATOM 0 H ARG A 66 4.324 13.050 -0.958 1.00 1.00 H new ATOM 0 HA ARG A 66 5.250 10.407 -1.145 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.093 11.720 -2.066 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.072 11.870 -3.512 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.486 9.344 -3.401 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.332 9.266 -2.084 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.662 10.488 -4.805 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.369 8.803 -4.423 1.00 1.00 H new ATOM 0 HE ARG A 66 0.814 11.096 -3.481 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.924 7.837 -2.795 1.00 1.00 H new ATOM 0 HH12 ARG A 66 0.550 7.450 -1.754 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.947 10.586 -2.144 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.062 8.993 -1.388 1.00 1.00 H new ATOM 967 N ASP A 67 6.851 12.594 -2.976 1.00 1.00 N ATOM 968 CA ASP A 67 8.012 12.783 -3.841 1.00 1.00 C ATOM 969 C ASP A 67 9.228 12.045 -3.286 1.00 1.00 C ATOM 970 O ASP A 67 9.930 11.351 -4.017 1.00 1.00 O ATOM 971 CB ASP A 67 8.332 14.273 -3.969 1.00 1.00 C ATOM 972 CG ASP A 67 7.755 14.820 -5.270 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.303 14.507 -6.314 1.00 1.00 O ATOM 974 OD2 ASP A 67 6.771 15.540 -5.204 1.00 1.00 O ATOM 0 H ASP A 67 6.415 13.459 -2.655 1.00 1.00 H new ATOM 0 HA ASP A 67 7.775 12.376 -4.824 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.917 14.817 -3.120 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.411 14.425 -3.948 1.00 1.00 H new ATOM 979 N ARG A 68 9.471 12.197 -1.993 1.00 1.00 N ATOM 980 CA ARG A 68 10.603 11.532 -1.357 1.00 1.00 C ATOM 981 C ARG A 68 10.339 10.030 -1.223 1.00 1.00 C ATOM 982 O ARG A 68 11.242 9.208 -1.390 1.00 1.00 O ATOM 983 CB ARG A 68 10.846 12.140 0.027 1.00 1.00 C ATOM 984 CG ARG A 68 11.681 13.416 -0.112 1.00 1.00 C ATOM 985 CD ARG A 68 11.244 14.439 0.938 1.00 1.00 C ATOM 986 NE ARG A 68 10.967 13.775 2.208 1.00 1.00 N ATOM 987 CZ ARG A 68 11.147 14.397 3.368 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.564 15.633 3.389 1.00 1.00 N ATOM 989 NH2 ARG A 68 10.908 13.771 4.489 1.00 1.00 N ATOM 0 H ARG A 68 8.906 12.770 -1.366 1.00 1.00 H new ATOM 0 HA ARG A 68 11.487 11.675 -1.979 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.894 12.367 0.508 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.363 11.423 0.665 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.739 13.184 0.011 1.00 1.00 H new ATOM 0 HG3 ARG A 68 11.560 13.833 -1.112 1.00 1.00 H new ATOM 0 HD2 ARG A 68 12.025 15.187 1.074 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.354 14.966 0.594 1.00 1.00 H new ATOM 0 HE ARG A 68 10.628 12.813 2.205 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.752 16.123 2.514 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.702 16.110 4.280 1.00 1.00 H new ATOM 0 HH21 ARG A 68 10.583 12.804 4.474 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.046 14.249 5.379 1.00 1.00 H new ATOM 1003 N ALA A 69 9.094 9.690 -0.909 1.00 1.00 N ATOM 1004 CA ALA A 69 8.696 8.295 -0.733 1.00 1.00 C ATOM 1005 C ALA A 69 8.766 7.502 -2.038 1.00 1.00 C ATOM 1006 O ALA A 69 9.065 6.308 -2.030 1.00 1.00 O ATOM 1007 CB ALA A 69 7.266 8.240 -0.198 1.00 1.00 C ATOM 0 H ALA A 69 8.340 10.362 -0.770 1.00 1.00 H new ATOM 0 HA ALA A 69 9.394 7.843 -0.028 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.967 7.200 -0.066 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.216 8.757 0.760 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.594 8.724 -0.906 1.00 1.00 H new ATOM 1013 N GLN A 70 8.467 8.160 -3.151 1.00 1.00 N ATOM 1014 CA GLN A 70 8.477 7.480 -4.442 1.00 1.00 C ATOM 1015 C GLN A 70 9.903 7.222 -4.910 1.00 1.00 C ATOM 1016 O GLN A 70 10.181 6.207 -5.549 1.00 1.00 O ATOM 1017 CB GLN A 70 7.688 8.286 -5.485 1.00 1.00 C ATOM 1018 CG GLN A 70 8.589 9.300 -6.190 1.00 1.00 C ATOM 1019 CD GLN A 70 9.324 8.635 -7.348 1.00 1.00 C ATOM 1020 OE1 GLN A 70 8.744 7.825 -8.070 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.573 8.938 -7.577 1.00 1.00 N ATOM 0 H GLN A 70 8.218 9.148 -3.188 1.00 1.00 H new ATOM 0 HA GLN A 70 7.987 6.513 -4.323 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.252 7.609 -6.220 1.00 1.00 H new ATOM 0 HB3 GLN A 70 6.861 8.805 -5.000 1.00 1.00 H new ATOM 0 HG2 GLN A 70 7.991 10.133 -6.560 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.308 9.713 -5.482 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.053 9.610 -6.978 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.069 8.503 -8.355 1.00 1.00 H new ATOM 1030 N ALA A 71 10.806 8.138 -4.586 1.00 1.00 N ATOM 1031 CA ALA A 71 12.196 7.986 -4.975 1.00 1.00 C ATOM 1032 C ALA A 71 12.810 6.785 -4.263 1.00 1.00 C ATOM 1033 O ALA A 71 13.633 6.069 -4.834 1.00 1.00 O ATOM 1034 CB ALA A 71 12.971 9.256 -4.637 1.00 1.00 C ATOM 0 H ALA A 71 10.601 8.987 -4.059 1.00 1.00 H new ATOM 0 HA ALA A 71 12.249 7.818 -6.051 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.014 9.135 -4.931 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.538 10.100 -5.173 1.00 1.00 H new ATOM 0 HB3 ALA A 71 12.916 9.441 -3.564 1.00 1.00 H new ATOM 1040 N VAL A 72 12.396 6.555 -3.016 1.00 1.00 N ATOM 1041 CA VAL A 72 12.910 5.418 -2.256 1.00 1.00 C ATOM 1042 C VAL A 72 12.494 4.119 -2.931 1.00 1.00 C ATOM 1043 O VAL A 72 13.311 3.229 -3.156 1.00 1.00 O ATOM 1044 CB VAL A 72 12.367 5.437 -0.825 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.113 4.398 0.012 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.577 6.822 -0.212 1.00 1.00 C ATOM 0 H VAL A 72 11.717 7.131 -2.518 1.00 1.00 H new ATOM 0 HA VAL A 72 13.997 5.488 -2.224 1.00 1.00 H new ATOM 0 HB VAL A 72 11.302 5.205 -0.840 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.729 4.409 1.032 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.966 3.408 -0.421 1.00 1.00 H new ATOM 0 HG13 VAL A 72 14.177 4.635 0.022 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.189 6.832 0.807 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.642 7.056 -0.197 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.050 7.567 -0.808 1.00 1.00 H new ATOM 1056 N GLU A 73 11.214 4.027 -3.260 1.00 1.00 N ATOM 1057 CA GLU A 73 10.688 2.840 -3.925 1.00 1.00 C ATOM 1058 C GLU A 73 11.443 2.592 -5.228 1.00 1.00 C ATOM 1059 O GLU A 73 11.648 1.448 -5.630 1.00 1.00 O ATOM 1060 CB GLU A 73 9.198 3.026 -4.222 1.00 1.00 C ATOM 1061 CG GLU A 73 8.386 2.003 -3.424 1.00 1.00 C ATOM 1062 CD GLU A 73 8.698 0.593 -3.913 1.00 1.00 C ATOM 1063 OE1 GLU A 73 9.276 0.471 -4.980 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.358 -0.345 -3.210 1.00 1.00 O ATOM 0 H GLU A 73 10.522 4.755 -3.079 1.00 1.00 H new ATOM 0 HA GLU A 73 10.819 1.981 -3.267 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.888 4.037 -3.959 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.011 2.902 -5.289 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.620 2.089 -2.363 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.321 2.207 -3.533 1.00 1.00 H new ATOM 1071 N THR A 74 11.851 3.677 -5.884 1.00 1.00 N ATOM 1072 CA THR A 74 12.578 3.577 -7.145 1.00 1.00 C ATOM 1073 C THR A 74 13.980 3.025 -6.911 1.00 1.00 C ATOM 1074 O THR A 74 14.485 2.229 -7.704 1.00 1.00 O ATOM 1075 CB THR A 74 12.676 4.964 -7.790 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.399 5.587 -7.759 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.144 4.833 -9.239 1.00 1.00 C ATOM 0 H THR A 74 11.690 4.632 -5.563 1.00 1.00 H new ATOM 0 HA THR A 74 12.040 2.899 -7.807 1.00 1.00 H new ATOM 0 HB THR A 74 13.395 5.569 -7.237 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.283 6.053 -6.905 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.211 5.823 -9.691 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.124 4.356 -9.263 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.431 4.227 -9.798 1.00 1.00 H new ATOM 1085 N TYR A 75 14.601 3.454 -5.820 1.00 1.00 N ATOM 1086 CA TYR A 75 15.945 3.000 -5.487 1.00 1.00 C ATOM 1087 C TYR A 75 15.990 1.476 -5.411 1.00 1.00 C ATOM 1088 O TYR A 75 16.914 0.843 -5.924 1.00 1.00 O ATOM 1089 CB TYR A 75 16.371 3.601 -4.145 1.00 1.00 C ATOM 1090 CG TYR A 75 17.688 3.009 -3.715 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.726 1.748 -3.109 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.875 3.723 -3.920 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.950 1.200 -2.707 1.00 1.00 C ATOM 1094 CE2 TYR A 75 20.100 3.176 -3.518 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.137 1.915 -2.913 1.00 1.00 C ATOM 1096 OH TYR A 75 21.345 1.375 -2.517 1.00 1.00 O ATOM 0 H TYR A 75 14.198 4.113 -5.153 1.00 1.00 H new ATOM 0 HA TYR A 75 16.632 3.329 -6.267 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.460 4.684 -4.233 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.610 3.404 -3.390 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.810 1.197 -2.951 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.846 4.696 -4.388 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.979 0.227 -2.239 1.00 1.00 H new ATOM 0 HE2 TYR A 75 21.015 3.727 -3.675 1.00 1.00 H new ATOM 0 HH TYR A 75 22.069 1.999 -2.734 1.00 1.00 H new ATOM 1106 N LEU A 76 14.984 0.896 -4.768 1.00 1.00 N ATOM 1107 CA LEU A 76 14.908 -0.555 -4.623 1.00 1.00 C ATOM 1108 C LEU A 76 14.695 -1.227 -5.976 1.00 1.00 C ATOM 1109 O LEU A 76 15.232 -2.306 -6.233 1.00 1.00 O ATOM 1110 CB LEU A 76 13.749 -0.919 -3.693 1.00 1.00 C ATOM 1111 CG LEU A 76 13.797 -2.416 -3.353 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.055 -2.738 -2.538 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.559 -2.789 -2.536 1.00 1.00 C ATOM 0 H LEU A 76 14.211 1.405 -4.339 1.00 1.00 H new ATOM 0 HA LEU A 76 15.850 -0.906 -4.201 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.806 -0.328 -2.779 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.799 -0.676 -4.170 1.00 1.00 H new ATOM 0 HG LEU A 76 13.819 -2.988 -4.281 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.075 -3.803 -2.305 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.941 -2.477 -3.117 1.00 1.00 H new ATOM 0 HD13 LEU A 76 15.045 -2.164 -1.612 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.590 -3.851 -2.293 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.542 -2.206 -1.615 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.662 -2.576 -3.117 1.00 1.00 H new ATOM 1125 N LYS A 77 13.908 -0.590 -6.835 1.00 1.00 N ATOM 1126 CA LYS A 77 13.630 -1.139 -8.149 1.00 1.00 C ATOM 1127 C LYS A 77 14.934 -1.345 -8.915 1.00 1.00 C ATOM 1128 O LYS A 77 15.099 -2.339 -9.622 1.00 1.00 O ATOM 1129 CB LYS A 77 12.690 -0.189 -8.903 1.00 1.00 C ATOM 1130 CG LYS A 77 13.046 -0.142 -10.389 1.00 1.00 C ATOM 1131 CD LYS A 77 11.921 0.558 -11.161 1.00 1.00 C ATOM 1132 CE LYS A 77 11.844 2.032 -10.759 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.210 2.813 -11.860 1.00 1.00 N ATOM 0 H LYS A 77 13.455 0.303 -6.643 1.00 1.00 H new ATOM 0 HA LYS A 77 13.143 -2.109 -8.050 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.658 -0.519 -8.782 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.757 0.812 -8.476 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.986 0.391 -10.532 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.190 -1.152 -10.772 1.00 1.00 H new ATOM 0 HD2 LYS A 77 12.099 0.474 -12.233 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.969 0.067 -10.957 1.00 1.00 H new ATOM 0 HE2 LYS A 77 11.266 2.140 -9.842 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.843 2.417 -10.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 11.157 3.816 -11.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.779 2.718 -12.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.251 2.450 -12.035 1.00 1.00 H new ATOM 1147 N LYS A 78 15.860 -0.404 -8.760 1.00 1.00 N ATOM 1148 CA LYS A 78 17.147 -0.500 -9.437 1.00 1.00 C ATOM 1149 C LYS A 78 17.963 -1.651 -8.856 1.00 1.00 C ATOM 1150 O LYS A 78 18.683 -2.340 -9.577 1.00 1.00 O ATOM 1151 CB LYS A 78 17.921 0.810 -9.278 1.00 1.00 C ATOM 1152 CG LYS A 78 19.401 0.567 -9.579 1.00 1.00 C ATOM 1153 CD LYS A 78 20.075 1.895 -9.934 1.00 1.00 C ATOM 1154 CE LYS A 78 19.983 2.126 -11.443 1.00 1.00 C ATOM 1155 NZ LYS A 78 20.920 1.203 -12.145 1.00 1.00 N ATOM 0 H LYS A 78 15.745 0.425 -8.178 1.00 1.00 H new ATOM 0 HA LYS A 78 16.971 -0.687 -10.496 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.521 1.566 -9.954 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.803 1.194 -8.265 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.890 0.119 -8.714 1.00 1.00 H new ATOM 0 HG3 LYS A 78 19.504 -0.137 -10.404 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.593 2.714 -9.400 1.00 1.00 H new ATOM 0 HD3 LYS A 78 21.119 1.881 -9.620 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.963 1.956 -11.786 1.00 1.00 H new ATOM 0 HE3 LYS A 78 20.230 3.161 -11.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 21.197 1.618 -13.058 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 21.767 1.057 -11.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 20.450 0.290 -12.308 1.00 1.00 H new ATOM 1169 N LEU A 79 17.835 -1.856 -7.549 1.00 1.00 N ATOM 1170 CA LEU A 79 18.560 -2.931 -6.882 1.00 1.00 C ATOM 1171 C LEU A 79 18.018 -4.288 -7.322 1.00 1.00 C ATOM 1172 O LEU A 79 18.780 -5.194 -7.658 1.00 1.00 O ATOM 1173 CB LEU A 79 18.420 -2.800 -5.363 1.00 1.00 C ATOM 1174 CG LEU A 79 19.756 -2.358 -4.756 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.143 -0.980 -5.298 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.620 -2.288 -3.234 1.00 1.00 C ATOM 0 H LEU A 79 17.242 -1.297 -6.936 1.00 1.00 H new ATOM 0 HA LEU A 79 19.612 -2.857 -7.157 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.643 -2.075 -5.121 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.112 -3.753 -4.933 1.00 1.00 H new ATOM 0 HG LEU A 79 20.530 -3.077 -5.024 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.093 -0.672 -4.863 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.240 -1.030 -6.383 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.372 -0.256 -5.035 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.568 -1.974 -2.798 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.844 -1.569 -2.971 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.351 -3.271 -2.847 1.00 1.00 H new ATOM 1188 N ILE A 80 16.695 -4.417 -7.317 1.00 1.00 N ATOM 1189 CA ILE A 80 16.055 -5.665 -7.716 1.00 1.00 C ATOM 1190 C ILE A 80 16.234 -5.908 -9.212 1.00 1.00 C ATOM 1191 O ILE A 80 16.459 -7.038 -9.645 1.00 1.00 O ATOM 1192 CB ILE A 80 14.563 -5.621 -7.371 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.399 -5.473 -5.854 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.889 -6.915 -7.836 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.928 -5.226 -5.514 1.00 1.00 C ATOM 0 H ILE A 80 16.049 -3.677 -7.043 1.00 1.00 H new ATOM 0 HA ILE A 80 16.527 -6.484 -7.173 1.00 1.00 H new ATOM 0 HB ILE A 80 14.097 -4.773 -7.874 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.752 -6.373 -5.351 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.009 -4.646 -5.492 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.828 -6.881 -7.589 1.00 1.00 H new ATOM 0 HG22 ILE A 80 14.008 -7.020 -8.914 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.351 -7.766 -7.336 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.817 -5.122 -4.435 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.590 -4.313 -6.004 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.328 -6.067 -5.861 1.00 1.00 H new ATOM 1207 N ALA A 81 16.130 -4.841 -9.997 1.00 1.00 N ATOM 1208 CA ALA A 81 16.278 -4.952 -11.444 1.00 1.00 C ATOM 1209 C ALA A 81 17.726 -5.254 -11.819 1.00 1.00 C ATOM 1210 O ALA A 81 17.997 -5.820 -12.878 1.00 1.00 O ATOM 1211 CB ALA A 81 15.838 -3.650 -12.115 1.00 1.00 C ATOM 0 H ALA A 81 15.945 -3.896 -9.659 1.00 1.00 H new ATOM 0 HA ALA A 81 15.649 -5.772 -11.790 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.952 -3.741 -13.195 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.793 -3.452 -11.875 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.455 -2.828 -11.753 1.00 1.00 H new ATOM 1217 N THR A 82 18.651 -4.872 -10.945 1.00 1.00 N ATOM 1218 CA THR A 82 20.069 -5.106 -11.201 1.00 1.00 C ATOM 1219 C THR A 82 20.443 -6.555 -10.906 1.00 1.00 C ATOM 1220 O THR A 82 20.714 -7.333 -11.821 1.00 1.00 O ATOM 1221 CB THR A 82 20.917 -4.172 -10.333 1.00 1.00 C ATOM 1222 OG1 THR A 82 20.329 -4.061 -9.045 1.00 1.00 O ATOM 1223 CG2 THR A 82 20.985 -2.790 -10.985 1.00 1.00 C ATOM 0 H THR A 82 18.449 -4.404 -10.062 1.00 1.00 H new ATOM 0 HA THR A 82 20.263 -4.904 -12.254 1.00 1.00 H new ATOM 0 HB THR A 82 21.924 -4.578 -10.239 1.00 1.00 H new ATOM 0 HG1 THR A 82 19.917 -3.177 -8.949 1.00 1.00 H new ATOM 0 HG21 THR A 82 21.589 -2.125 -10.367 1.00 1.00 H new ATOM 0 HG22 THR A 82 21.436 -2.876 -11.973 1.00 1.00 H new ATOM 0 HG23 THR A 82 19.978 -2.383 -11.080 1.00 1.00 H new ATOM 1231 N ASN A 83 20.453 -6.914 -9.625 1.00 1.00 N ATOM 1232 CA ASN A 83 20.797 -8.279 -9.223 1.00 1.00 C ATOM 1233 C ASN A 83 20.977 -8.395 -7.705 1.00 1.00 C ATOM 1234 O ASN A 83 21.094 -9.500 -7.176 1.00 1.00 O ATOM 1235 CB ASN A 83 22.093 -8.723 -9.917 1.00 1.00 C ATOM 1236 CG ASN A 83 23.018 -7.528 -10.124 1.00 1.00 C ATOM 1237 OD1 ASN A 83 23.760 -7.482 -11.106 1.00 1.00 O ATOM 1238 ND2 ASN A 83 23.025 -6.559 -9.251 1.00 1.00 N ATOM 0 H ASN A 83 20.229 -6.287 -8.852 1.00 1.00 H new ATOM 0 HA ASN A 83 19.971 -8.924 -9.523 1.00 1.00 H new ATOM 0 HB2 ASN A 83 22.595 -9.480 -9.315 1.00 1.00 H new ATOM 0 HB3 ASN A 83 21.860 -9.182 -10.878 1.00 1.00 H new ATOM 0 HD21 ASN A 83 23.646 -5.760 -9.381 1.00 1.00 H new ATOM 0 HD22 ASN A 83 22.409 -6.600 -8.439 1.00 1.00 H new ATOM 1245 N ASN A 84 21.007 -7.262 -7.010 1.00 1.00 N ATOM 1246 CA ASN A 84 21.181 -7.272 -5.561 1.00 1.00 C ATOM 1247 C ASN A 84 20.134 -8.160 -4.891 1.00 1.00 C ATOM 1248 O ASN A 84 20.311 -8.571 -3.743 1.00 1.00 O ATOM 1249 CB ASN A 84 21.071 -5.847 -5.013 1.00 1.00 C ATOM 1250 CG ASN A 84 22.215 -4.990 -5.546 1.00 1.00 C ATOM 1251 OD1 ASN A 84 23.193 -4.750 -4.839 1.00 1.00 O ATOM 1252 ND2 ASN A 84 22.147 -4.509 -6.757 1.00 1.00 N ATOM 0 H ASN A 84 20.914 -6.333 -7.422 1.00 1.00 H new ATOM 0 HA ASN A 84 22.170 -7.674 -5.340 1.00 1.00 H new ATOM 0 HB2 ASN A 84 20.115 -5.411 -5.302 1.00 1.00 H new ATOM 0 HB3 ASN A 84 21.097 -5.865 -3.923 1.00 1.00 H new ATOM 0 HD21 ASN A 84 22.906 -3.932 -7.120 1.00 1.00 H new ATOM 0 HD22 ASN A 84 21.335 -4.710 -7.341 1.00 1.00 H new ATOM 1259 N VAL A 85 19.043 -8.434 -5.609 1.00 1.00 N ATOM 1260 CA VAL A 85 17.957 -9.265 -5.074 1.00 1.00 C ATOM 1261 C VAL A 85 18.503 -10.352 -4.152 1.00 1.00 C ATOM 1262 O VAL A 85 18.954 -11.403 -4.608 1.00 1.00 O ATOM 1263 CB VAL A 85 17.159 -9.922 -6.212 1.00 1.00 C ATOM 1264 CG1 VAL A 85 15.699 -9.466 -6.156 1.00 1.00 C ATOM 1265 CG2 VAL A 85 17.755 -9.526 -7.561 1.00 1.00 C ATOM 0 H VAL A 85 18.886 -8.095 -6.558 1.00 1.00 H new ATOM 0 HA VAL A 85 17.298 -8.611 -4.503 1.00 1.00 H new ATOM 0 HB VAL A 85 17.208 -11.005 -6.095 1.00 1.00 H new ATOM 0 HG11 VAL A 85 15.140 -9.936 -6.965 1.00 1.00 H new ATOM 0 HG12 VAL A 85 15.264 -9.755 -5.199 1.00 1.00 H new ATOM 0 HG13 VAL A 85 15.652 -8.382 -6.264 1.00 1.00 H new ATOM 0 HG21 VAL A 85 17.185 -9.995 -8.363 1.00 1.00 H new ATOM 0 HG22 VAL A 85 17.714 -8.443 -7.673 1.00 1.00 H new ATOM 0 HG23 VAL A 85 18.792 -9.857 -7.612 1.00 1.00 H new ATOM 1275 N THR A 86 18.458 -10.086 -2.851 1.00 1.00 N ATOM 1276 CA THR A 86 18.948 -11.038 -1.862 1.00 1.00 C ATOM 1277 C THR A 86 18.640 -10.541 -0.454 1.00 1.00 C ATOM 1278 O THR A 86 19.044 -11.154 0.533 1.00 1.00 O ATOM 1279 CB THR A 86 20.458 -11.231 -2.018 1.00 1.00 C ATOM 1280 OG1 THR A 86 20.833 -12.486 -1.468 1.00 1.00 O ATOM 1281 CG2 THR A 86 21.195 -10.109 -1.287 1.00 1.00 C ATOM 0 H THR A 86 18.088 -9.221 -2.458 1.00 1.00 H new ATOM 0 HA THR A 86 18.446 -11.992 -2.022 1.00 1.00 H new ATOM 0 HB THR A 86 20.721 -11.206 -3.075 1.00 1.00 H new ATOM 0 HG1 THR A 86 20.431 -12.587 -0.580 1.00 1.00 H new ATOM 0 HG21 THR A 86 22.270 -10.247 -1.399 1.00 1.00 H new ATOM 0 HG22 THR A 86 20.907 -9.147 -1.712 1.00 1.00 H new ATOM 0 HG23 THR A 86 20.934 -10.131 -0.229 1.00 1.00 H new ATOM 1289 N HIS A 87 17.927 -9.421 -0.373 1.00 1.00 N ATOM 1290 CA HIS A 87 17.574 -8.845 0.921 1.00 1.00 C ATOM 1291 C HIS A 87 16.174 -8.236 0.879 1.00 1.00 C ATOM 1292 O HIS A 87 15.542 -8.189 -0.176 1.00 1.00 O ATOM 1293 CB HIS A 87 18.594 -7.768 1.304 1.00 1.00 C ATOM 1294 CG HIS A 87 18.218 -7.166 2.631 1.00 1.00 C ATOM 1295 ND1 HIS A 87 18.544 -7.767 3.836 1.00 1.00 N ATOM 1296 CD2 HIS A 87 17.541 -6.017 2.956 1.00 1.00 C ATOM 1297 CE1 HIS A 87 18.066 -6.985 4.822 1.00 1.00 C ATOM 1298 NE2 HIS A 87 17.446 -5.905 4.340 1.00 1.00 N ATOM 0 H HIS A 87 17.585 -8.898 -1.180 1.00 1.00 H new ATOM 0 HA HIS A 87 17.584 -9.640 1.667 1.00 1.00 H new ATOM 0 HB2 HIS A 87 19.592 -8.202 1.360 1.00 1.00 H new ATOM 0 HB3 HIS A 87 18.625 -6.994 0.538 1.00 1.00 H new ATOM 0 HD2 HIS A 87 17.143 -5.308 2.246 1.00 1.00 H new ATOM 0 HE1 HIS A 87 18.171 -7.204 5.874 1.00 1.00 H new ATOM 0 HE2 HIS A 87 16.999 -5.158 4.872 1.00 1.00 H new ATOM 1306 N LYS A 88 15.697 -7.771 2.032 1.00 1.00 N ATOM 1307 CA LYS A 88 14.371 -7.163 2.121 1.00 1.00 C ATOM 1308 C LYS A 88 14.459 -5.791 2.782 1.00 1.00 C ATOM 1309 O LYS A 88 14.809 -5.680 3.957 1.00 1.00 O ATOM 1310 CB LYS A 88 13.437 -8.062 2.934 1.00 1.00 C ATOM 1311 CG LYS A 88 13.337 -9.436 2.264 1.00 1.00 C ATOM 1312 CD LYS A 88 12.803 -10.455 3.271 1.00 1.00 C ATOM 1313 CE LYS A 88 13.974 -11.104 4.013 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.452 -11.968 5.109 1.00 1.00 N ATOM 0 H LYS A 88 16.207 -7.803 2.915 1.00 1.00 H new ATOM 0 HA LYS A 88 13.975 -7.047 1.112 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.813 -8.169 3.952 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.449 -7.608 3.005 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.677 -9.383 1.398 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.316 -9.747 1.900 1.00 1.00 H new ATOM 0 HD2 LYS A 88 12.136 -9.965 3.981 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.217 -11.217 2.757 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.572 -11.698 3.322 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.629 -10.335 4.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 14.248 -12.409 5.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.899 -11.390 5.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.844 -12.710 4.707 1.00 1.00 H new ATOM 1328 N ILE A 89 14.148 -4.748 2.019 1.00 1.00 N ATOM 1329 CA ILE A 89 14.203 -3.389 2.544 1.00 1.00 C ATOM 1330 C ILE A 89 13.552 -3.320 3.924 1.00 1.00 C ATOM 1331 O ILE A 89 12.684 -4.129 4.258 1.00 1.00 O ATOM 1332 CB ILE A 89 13.521 -2.415 1.558 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.588 -1.468 0.990 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.424 -1.587 2.254 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.961 -0.521 -0.035 1.00 1.00 C ATOM 0 H ILE A 89 13.858 -4.817 1.044 1.00 1.00 H new ATOM 0 HA ILE A 89 15.246 -3.093 2.653 1.00 1.00 H new ATOM 0 HB ILE A 89 13.052 -2.994 0.762 1.00 1.00 H new ATOM 0 HG12 ILE A 89 15.042 -0.893 1.797 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.386 -2.045 0.523 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.964 -0.912 1.532 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.665 -2.256 2.659 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.865 -1.006 3.064 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.727 0.146 -0.431 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.529 -1.102 -0.850 1.00 1.00 H new ATOM 0 HD13 ILE A 89 13.180 0.069 0.445 1.00 1.00 H new ATOM 1347 N THR A 90 13.972 -2.340 4.715 1.00 1.00 N ATOM 1348 CA THR A 90 13.429 -2.152 6.052 1.00 1.00 C ATOM 1349 C THR A 90 13.208 -0.666 6.323 1.00 1.00 C ATOM 1350 O THR A 90 13.530 0.179 5.488 1.00 1.00 O ATOM 1351 CB THR A 90 14.391 -2.727 7.095 1.00 1.00 C ATOM 1352 OG1 THR A 90 14.283 -1.978 8.299 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.826 -2.645 6.569 1.00 1.00 C ATOM 0 H THR A 90 14.688 -1.663 4.452 1.00 1.00 H new ATOM 0 HA THR A 90 12.475 -2.674 6.119 1.00 1.00 H new ATOM 0 HB THR A 90 14.137 -3.769 7.289 1.00 1.00 H new ATOM 0 HG1 THR A 90 14.897 -2.345 8.969 1.00 1.00 H new ATOM 0 HG21 THR A 90 16.510 -3.055 7.312 1.00 1.00 H new ATOM 0 HG22 THR A 90 15.908 -3.218 5.645 1.00 1.00 H new ATOM 0 HG23 THR A 90 16.083 -1.604 6.374 1.00 1.00 H new ATOM 1361 N GLU A 91 12.664 -0.354 7.493 1.00 1.00 N ATOM 1362 CA GLU A 91 12.409 1.035 7.863 1.00 1.00 C ATOM 1363 C GLU A 91 13.701 1.842 7.849 1.00 1.00 C ATOM 1364 O GLU A 91 13.693 3.048 7.600 1.00 1.00 O ATOM 1365 CB GLU A 91 11.790 1.096 9.262 1.00 1.00 C ATOM 1366 CG GLU A 91 12.701 0.380 10.260 1.00 1.00 C ATOM 1367 CD GLU A 91 13.248 1.378 11.276 1.00 1.00 C ATOM 1368 OE1 GLU A 91 14.103 2.163 10.905 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.801 1.340 12.410 1.00 1.00 O ATOM 0 H GLU A 91 12.392 -1.038 8.199 1.00 1.00 H new ATOM 0 HA GLU A 91 11.718 1.462 7.136 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.649 2.134 9.563 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.805 0.630 9.255 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.146 -0.406 10.772 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.524 -0.103 9.733 1.00 1.00 H new ATOM 1376 N ALA A 92 14.805 1.167 8.135 1.00 1.00 N ATOM 1377 CA ALA A 92 16.108 1.822 8.175 1.00 1.00 C ATOM 1378 C ALA A 92 16.646 2.068 6.769 1.00 1.00 C ATOM 1379 O ALA A 92 17.285 3.087 6.512 1.00 1.00 O ATOM 1380 CB ALA A 92 17.100 0.957 8.954 1.00 1.00 C ATOM 0 H ALA A 92 14.827 0.169 8.343 1.00 1.00 H new ATOM 0 HA ALA A 92 15.986 2.785 8.671 1.00 1.00 H new ATOM 0 HB1 ALA A 92 18.071 1.451 8.980 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.737 0.815 9.972 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.199 -0.012 8.465 1.00 1.00 H new ATOM 1386 N GLU A 93 16.395 1.131 5.864 1.00 1.00 N ATOM 1387 CA GLU A 93 16.871 1.270 4.494 1.00 1.00 C ATOM 1388 C GLU A 93 16.035 2.292 3.732 1.00 1.00 C ATOM 1389 O GLU A 93 16.554 3.023 2.886 1.00 1.00 O ATOM 1390 CB GLU A 93 16.810 -0.080 3.783 1.00 1.00 C ATOM 1391 CG GLU A 93 17.880 -1.011 4.357 1.00 1.00 C ATOM 1392 CD GLU A 93 19.103 -1.026 3.447 1.00 1.00 C ATOM 1393 OE1 GLU A 93 19.409 0.009 2.878 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.718 -2.074 3.334 1.00 1.00 O ATOM 0 H GLU A 93 15.871 0.276 6.050 1.00 1.00 H new ATOM 0 HA GLU A 93 17.903 1.619 4.522 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.822 -0.524 3.908 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.966 0.054 2.713 1.00 1.00 H new ATOM 0 HG2 GLU A 93 18.164 -0.679 5.356 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.480 -2.020 4.458 1.00 1.00 H new ATOM 1401 N ILE A 94 14.742 2.344 4.033 1.00 1.00 N ATOM 1402 CA ILE A 94 13.853 3.287 3.362 1.00 1.00 C ATOM 1403 C ILE A 94 14.170 4.715 3.787 1.00 1.00 C ATOM 1404 O ILE A 94 14.276 5.614 2.954 1.00 1.00 O ATOM 1405 CB ILE A 94 12.398 2.973 3.716 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.880 1.839 2.831 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.536 4.218 3.498 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.917 0.967 3.639 1.00 1.00 C ATOM 0 H ILE A 94 14.289 1.752 4.729 1.00 1.00 H new ATOM 0 HA ILE A 94 14.001 3.192 2.286 1.00 1.00 H new ATOM 0 HB ILE A 94 12.345 2.669 4.761 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.373 2.247 1.957 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.713 1.238 2.465 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.500 3.992 3.751 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.897 5.026 4.134 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.596 4.524 2.454 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.545 0.157 3.011 1.00 1.00 H new ATOM 0 HD12 ILE A 94 11.440 0.549 4.499 1.00 1.00 H new ATOM 0 HD13 ILE A 94 10.079 1.573 3.983 1.00 1.00 H new ATOM 1420 N VAL A 95 14.320 4.908 5.091 1.00 1.00 N ATOM 1421 CA VAL A 95 14.627 6.223 5.637 1.00 1.00 C ATOM 1422 C VAL A 95 16.025 6.661 5.224 1.00 1.00 C ATOM 1423 O VAL A 95 16.262 7.834 4.935 1.00 1.00 O ATOM 1424 CB VAL A 95 14.489 6.201 7.169 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.828 5.884 7.842 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.991 7.566 7.650 1.00 1.00 C ATOM 0 H VAL A 95 14.234 4.170 5.790 1.00 1.00 H new ATOM 0 HA VAL A 95 13.917 6.946 5.235 1.00 1.00 H new ATOM 0 HB VAL A 95 13.777 5.421 7.439 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.698 5.876 8.924 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.179 4.907 7.511 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.561 6.644 7.570 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.892 7.555 8.735 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.704 8.337 7.359 1.00 1.00 H new ATOM 0 HG23 VAL A 95 13.022 7.779 7.199 1.00 1.00 H new ATOM 1436 N SER A 96 16.949 5.712 5.217 1.00 1.00 N ATOM 1437 CA SER A 96 18.334 6.008 4.860 1.00 1.00 C ATOM 1438 C SER A 96 18.407 6.630 3.471 1.00 1.00 C ATOM 1439 O SER A 96 19.097 7.629 3.267 1.00 1.00 O ATOM 1440 CB SER A 96 19.170 4.729 4.888 1.00 1.00 C ATOM 1441 OG SER A 96 18.606 3.780 3.992 1.00 1.00 O ATOM 0 H SER A 96 16.770 4.736 5.452 1.00 1.00 H new ATOM 0 HA SER A 96 18.730 6.716 5.588 1.00 1.00 H new ATOM 0 HB2 SER A 96 20.199 4.947 4.604 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.198 4.321 5.898 1.00 1.00 H new ATOM 0 HG SER A 96 17.664 3.999 3.833 1.00 1.00 H new ATOM 1447 N ILE A 97 17.686 6.047 2.524 1.00 1.00 N ATOM 1448 CA ILE A 97 17.676 6.572 1.167 1.00 1.00 C ATOM 1449 C ILE A 97 16.889 7.879 1.135 1.00 1.00 C ATOM 1450 O ILE A 97 17.263 8.827 0.445 1.00 1.00 O ATOM 1451 CB ILE A 97 17.049 5.556 0.209 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.809 4.228 0.298 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.130 6.085 -1.224 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.948 3.108 -0.292 1.00 1.00 C ATOM 0 H ILE A 97 17.107 5.220 2.668 1.00 1.00 H new ATOM 0 HA ILE A 97 18.701 6.760 0.848 1.00 1.00 H new ATOM 0 HB ILE A 97 16.006 5.400 0.484 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.753 4.300 -0.243 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.053 4.005 1.337 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.683 5.361 -1.905 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.591 7.030 -1.294 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.174 6.242 -1.495 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.487 2.163 -0.229 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.016 3.032 0.268 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.727 3.331 -1.336 1.00 1.00 H new ATOM 1466 N LEU A 98 15.800 7.916 1.896 1.00 1.00 N ATOM 1467 CA LEU A 98 14.959 9.106 1.966 1.00 1.00 C ATOM 1468 C LEU A 98 15.798 10.320 2.361 1.00 1.00 C ATOM 1469 O LEU A 98 15.743 11.364 1.712 1.00 1.00 O ATOM 1470 CB LEU A 98 13.848 8.888 3.001 1.00 1.00 C ATOM 1471 CG LEU A 98 12.628 9.751 2.663 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.502 9.446 3.653 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.996 11.236 2.757 1.00 1.00 C ATOM 0 H LEU A 98 15.479 7.138 2.472 1.00 1.00 H new ATOM 0 HA LEU A 98 14.515 9.286 0.987 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.563 7.836 3.022 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.215 9.139 3.996 1.00 1.00 H new ATOM 0 HG LEU A 98 12.300 9.526 1.648 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.632 10.059 3.415 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.233 8.392 3.585 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.837 9.670 4.666 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.124 11.843 2.515 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.328 11.465 3.770 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.798 11.457 2.053 1.00 1.00 H new ATOM 1485 N ASN A 99 16.579 10.170 3.427 1.00 1.00 N ATOM 1486 CA ASN A 99 17.430 11.256 3.896 1.00 1.00 C ATOM 1487 C ASN A 99 18.387 11.697 2.793 1.00 1.00 C ATOM 1488 O ASN A 99 18.735 12.873 2.689 1.00 1.00 O ATOM 1489 CB ASN A 99 18.231 10.801 5.119 1.00 1.00 C ATOM 1490 CG ASN A 99 18.296 11.923 6.148 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.139 12.813 6.047 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.449 11.933 7.142 1.00 1.00 N ATOM 0 H ASN A 99 16.640 9.314 3.978 1.00 1.00 H new ATOM 0 HA ASN A 99 16.796 12.099 4.171 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.767 9.919 5.560 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.239 10.514 4.818 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.486 12.680 7.836 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.751 11.194 7.224 1.00 1.00 H new ATOM 1499 N GLY A 100 18.806 10.740 1.971 1.00 1.00 N ATOM 1500 CA GLY A 100 19.721 11.033 0.874 1.00 1.00 C ATOM 1501 C GLY A 100 18.998 11.764 -0.253 1.00 1.00 C ATOM 1502 O GLY A 100 19.581 12.606 -0.936 1.00 1.00 O ATOM 0 H GLY A 100 18.529 9.761 2.043 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.548 11.643 1.237 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.151 10.106 0.495 1.00 1.00 H new ATOM 1506 N ILE A 101 17.724 11.433 -0.443 1.00 1.00 N ATOM 1507 CA ILE A 101 16.926 12.061 -1.489 1.00 1.00 C ATOM 1508 C ILE A 101 16.532 13.479 -1.086 1.00 1.00 C ATOM 1509 O ILE A 101 16.588 14.403 -1.898 1.00 1.00 O ATOM 1510 CB ILE A 101 15.670 11.227 -1.751 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.038 10.019 -2.615 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.623 12.074 -2.481 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.211 8.811 -2.177 1.00 1.00 C ATOM 0 H ILE A 101 17.225 10.737 0.111 1.00 1.00 H new ATOM 0 HA ILE A 101 17.523 12.113 -2.399 1.00 1.00 H new ATOM 0 HB ILE A 101 15.257 10.890 -0.800 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.852 10.239 -3.666 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.101 9.800 -2.519 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.732 11.473 -2.664 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.360 12.936 -1.867 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.031 12.417 -3.432 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.472 7.949 -2.792 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.420 8.587 -1.131 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.151 9.034 -2.296 1.00 1.00 H new ATOM 1525 N ALA A 102 16.136 13.643 0.172 1.00 1.00 N ATOM 1526 CA ALA A 102 15.736 14.953 0.670 1.00 1.00 C ATOM 1527 C ALA A 102 16.916 15.920 0.641 1.00 1.00 C ATOM 1528 O ALA A 102 16.747 17.114 0.393 1.00 1.00 O ATOM 1529 CB ALA A 102 15.211 14.831 2.101 1.00 1.00 C ATOM 0 H ALA A 102 16.084 12.892 0.860 1.00 1.00 H new ATOM 0 HA ALA A 102 14.947 15.340 0.025 1.00 1.00 H new ATOM 0 HB1 ALA A 102 14.914 15.815 2.465 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.350 14.163 2.117 1.00 1.00 H new ATOM 0 HB3 ALA A 102 15.994 14.428 2.743 1.00 1.00 H new ATOM 1535 N LYS A 103 18.109 15.395 0.896 1.00 1.00 N ATOM 1536 CA LYS A 103 19.312 16.220 0.896 1.00 1.00 C ATOM 1537 C LYS A 103 19.736 16.552 -0.531 1.00 1.00 C ATOM 1538 O LYS A 103 20.289 17.621 -0.792 1.00 1.00 O ATOM 1539 CB LYS A 103 20.448 15.485 1.610 1.00 1.00 C ATOM 1540 CG LYS A 103 20.631 16.067 3.013 1.00 1.00 C ATOM 1541 CD LYS A 103 21.737 15.301 3.744 1.00 1.00 C ATOM 1542 CE LYS A 103 22.938 16.223 3.959 1.00 1.00 C ATOM 1543 NZ LYS A 103 22.582 17.281 4.947 1.00 1.00 N ATOM 0 H LYS A 103 18.269 14.409 1.104 1.00 1.00 H new ATOM 0 HA LYS A 103 19.092 17.149 1.422 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.223 14.420 1.673 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.373 15.583 1.041 1.00 1.00 H new ATOM 0 HG2 LYS A 103 20.888 17.124 2.949 1.00 1.00 H new ATOM 0 HG3 LYS A 103 19.697 15.999 3.571 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.369 14.936 4.703 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.034 14.428 3.163 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.792 15.648 4.318 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.234 16.678 3.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 23.444 17.617 5.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 22.125 18.076 4.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 21.928 16.889 5.654 1.00 1.00 H new ATOM 1557 N GLN A 104 19.472 15.629 -1.450 1.00 1.00 N ATOM 1558 CA GLN A 104 19.831 15.836 -2.849 1.00 1.00 C ATOM 1559 C GLN A 104 18.878 16.830 -3.506 1.00 1.00 C ATOM 1560 O GLN A 104 19.307 17.858 -4.030 1.00 1.00 O ATOM 1561 CB GLN A 104 19.780 14.505 -3.602 1.00 1.00 C ATOM 1562 CG GLN A 104 21.099 13.755 -3.406 1.00 1.00 C ATOM 1563 CD GLN A 104 22.075 14.118 -4.520 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.972 13.337 -4.839 1.00 1.00 O ATOM 1565 NE2 GLN A 104 21.954 15.262 -5.134 1.00 1.00 N ATOM 0 H GLN A 104 19.015 14.738 -1.255 1.00 1.00 H new ATOM 0 HA GLN A 104 20.843 16.239 -2.889 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.949 13.901 -3.238 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.605 14.682 -4.663 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.530 14.007 -2.437 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.919 12.680 -3.405 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.210 15.907 -4.868 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.603 15.511 -5.880 1.00 1.00 H new ATOM 1574 N GLN A 105 17.587 16.512 -3.472 1.00 1.00 N ATOM 1575 CA GLN A 105 16.574 17.381 -4.065 1.00 1.00 C ATOM 1576 C GLN A 105 15.628 17.911 -2.992 1.00 1.00 C ATOM 1577 O GLN A 105 15.558 17.368 -1.889 1.00 1.00 O ATOM 1578 CB GLN A 105 15.772 16.605 -5.113 1.00 1.00 C ATOM 1579 CG GLN A 105 16.652 16.337 -6.334 1.00 1.00 C ATOM 1580 CD GLN A 105 16.446 17.433 -7.374 1.00 1.00 C ATOM 1581 OE1 GLN A 105 17.225 18.385 -7.437 1.00 1.00 O ATOM 1582 NE2 GLN A 105 15.439 17.357 -8.200 1.00 1.00 N ATOM 0 H GLN A 105 17.218 15.663 -3.042 1.00 1.00 H new ATOM 0 HA GLN A 105 17.077 18.224 -4.539 1.00 1.00 H new ATOM 0 HB2 GLN A 105 15.419 15.663 -4.692 1.00 1.00 H new ATOM 0 HB3 GLN A 105 14.890 17.174 -5.406 1.00 1.00 H new ATOM 0 HG2 GLN A 105 17.700 16.299 -6.036 1.00 1.00 H new ATOM 0 HG3 GLN A 105 16.407 15.366 -6.763 1.00 1.00 H new ATOM 0 HE21 GLN A 105 14.794 16.568 -8.147 1.00 1.00 H new ATOM 0 HE22 GLN A 105 15.296 18.086 -8.899 1.00 1.00 H new ATOM 1591 N ASN A 106 14.904 18.976 -3.321 1.00 1.00 N ATOM 1592 CA ASN A 106 13.965 19.571 -2.376 1.00 1.00 C ATOM 1593 C ASN A 106 12.737 20.105 -3.106 1.00 1.00 C ATOM 1594 O ASN A 106 12.746 21.225 -3.617 1.00 1.00 O ATOM 1595 CB ASN A 106 14.644 20.710 -1.613 1.00 1.00 C ATOM 1596 CG ASN A 106 15.293 20.171 -0.343 1.00 1.00 C ATOM 1597 OD1 ASN A 106 16.518 20.128 -0.240 1.00 1.00 O ATOM 1598 ND2 ASN A 106 14.540 19.756 0.637 1.00 1.00 N ATOM 0 H ASN A 106 14.948 19.442 -4.227 1.00 1.00 H new ATOM 0 HA ASN A 106 13.649 18.801 -1.672 1.00 1.00 H new ATOM 0 HB2 ASN A 106 15.397 21.183 -2.243 1.00 1.00 H new ATOM 0 HB3 ASN A 106 13.912 21.477 -1.360 1.00 1.00 H new ATOM 0 HD21 ASN A 106 14.967 19.395 1.490 1.00 1.00 H new ATOM 0 HD22 ASN A 106 13.524 19.792 0.550 1.00 1.00 H new ATOM 1605 N SER A 107 11.682 19.298 -3.149 1.00 1.00 N ATOM 1606 CA SER A 107 10.451 19.702 -3.818 1.00 1.00 C ATOM 1607 C SER A 107 9.414 20.161 -2.799 1.00 1.00 C ATOM 1608 O SER A 107 9.721 20.336 -1.620 1.00 1.00 O ATOM 1609 CB SER A 107 9.890 18.533 -4.629 1.00 1.00 C ATOM 1610 OG SER A 107 9.751 17.399 -3.782 1.00 1.00 O ATOM 0 H SER A 107 11.654 18.368 -2.732 1.00 1.00 H new ATOM 0 HA SER A 107 10.678 20.532 -4.487 1.00 1.00 H new ATOM 0 HB2 SER A 107 8.924 18.802 -5.057 1.00 1.00 H new ATOM 0 HB3 SER A 107 10.554 18.301 -5.461 1.00 1.00 H new ATOM 0 HG SER A 107 9.703 16.587 -4.328 1.00 1.00 H new ATOM 1616 N GLN A 108 8.182 20.353 -3.261 1.00 1.00 N ATOM 1617 CA GLN A 108 7.105 20.792 -2.380 1.00 1.00 C ATOM 1618 C GLN A 108 6.251 19.605 -1.946 1.00 1.00 C ATOM 1619 O GLN A 108 6.759 18.630 -1.394 1.00 1.00 O ATOM 1620 CB GLN A 108 6.228 21.820 -3.098 1.00 1.00 C ATOM 1621 CG GLN A 108 5.270 22.464 -2.094 1.00 1.00 C ATOM 1622 CD GLN A 108 5.685 23.907 -1.830 1.00 1.00 C ATOM 1623 OE1 GLN A 108 5.060 24.837 -2.341 1.00 1.00 O ATOM 1624 NE2 GLN A 108 6.709 24.151 -1.059 1.00 1.00 N ATOM 0 H GLN A 108 7.906 20.213 -4.233 1.00 1.00 H new ATOM 0 HA GLN A 108 7.548 21.249 -1.495 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.851 22.584 -3.563 1.00 1.00 H new ATOM 0 HB3 GLN A 108 5.664 21.338 -3.897 1.00 1.00 H new ATOM 0 HG2 GLN A 108 4.251 22.435 -2.481 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.274 21.899 -1.162 1.00 1.00 H new ATOM 0 HE21 GLN A 108 7.225 23.379 -0.637 1.00 1.00 H new ATOM 0 HE22 GLN A 108 6.993 25.114 -0.878 1.00 1.00 H new ATOM 1633 N ASN A 109 4.950 19.695 -2.202 1.00 1.00 N ATOM 1634 CA ASN A 109 4.033 18.623 -1.834 1.00 1.00 C ATOM 1635 C ASN A 109 3.013 18.388 -2.943 1.00 1.00 C ATOM 1636 O ASN A 109 3.069 17.381 -3.650 1.00 1.00 O ATOM 1637 CB ASN A 109 3.307 18.978 -0.536 1.00 1.00 C ATOM 1638 CG ASN A 109 2.624 17.739 0.037 1.00 1.00 C ATOM 1639 OD1 ASN A 109 2.345 17.684 1.234 1.00 1.00 O ATOM 1640 ND2 ASN A 109 2.339 16.739 -0.751 1.00 1.00 N ATOM 0 H ASN A 109 4.510 20.493 -2.659 1.00 1.00 H new ATOM 0 HA ASN A 109 4.611 17.710 -1.687 1.00 1.00 H new ATOM 0 HB2 ASN A 109 4.016 19.380 0.188 1.00 1.00 H new ATOM 0 HB3 ASN A 109 2.568 19.756 -0.725 1.00 1.00 H new ATOM 0 HD21 ASN A 109 1.883 15.907 -0.375 1.00 1.00 H new ATOM 0 HD22 ASN A 109 2.572 16.789 -1.743 1.00 1.00 H new ATOM 1647 N ASN A 110 2.080 19.322 -3.090 1.00 1.00 N ATOM 1648 CA ASN A 110 1.051 19.205 -4.118 1.00 1.00 C ATOM 1649 C ASN A 110 0.466 17.796 -4.130 1.00 1.00 C ATOM 1650 O ASN A 110 0.823 16.974 -4.974 1.00 1.00 O ATOM 1651 CB ASN A 110 1.644 19.523 -5.490 1.00 1.00 C ATOM 1652 CG ASN A 110 2.127 20.971 -5.526 1.00 1.00 C ATOM 1653 OD1 ASN A 110 2.599 21.442 -6.562 1.00 1.00 O ATOM 1654 ND2 ASN A 110 2.038 21.706 -4.454 1.00 1.00 N ATOM 0 H ASN A 110 2.014 20.162 -2.516 1.00 1.00 H new ATOM 0 HA ASN A 110 0.256 19.916 -3.893 1.00 1.00 H new ATOM 0 HB2 ASN A 110 2.474 18.849 -5.702 1.00 1.00 H new ATOM 0 HB3 ASN A 110 0.895 19.361 -6.266 1.00 1.00 H new ATOM 0 HD21 ASN A 110 2.359 22.674 -4.471 1.00 1.00 H new ATOM 0 HD22 ASN A 110 1.647 21.314 -3.598 1.00 1.00 H new ATOM 1661 N SER A 111 -0.434 17.526 -3.188 1.00 1.00 N ATOM 1662 CA SER A 111 -1.065 16.214 -3.096 1.00 1.00 C ATOM 1663 C SER A 111 -2.579 16.357 -2.973 1.00 1.00 C ATOM 1664 O SER A 111 -3.070 17.206 -2.231 1.00 1.00 O ATOM 1665 CB SER A 111 -0.522 15.457 -1.883 1.00 1.00 C ATOM 1666 OG SER A 111 0.734 14.880 -2.214 1.00 1.00 O ATOM 0 H SER A 111 -0.741 18.195 -2.482 1.00 1.00 H new ATOM 0 HA SER A 111 -0.836 15.656 -4.004 1.00 1.00 H new ATOM 0 HB2 SER A 111 -0.412 16.134 -1.036 1.00 1.00 H new ATOM 0 HB3 SER A 111 -1.224 14.680 -1.581 1.00 1.00 H new ATOM 0 HG SER A 111 1.086 14.395 -1.438 1.00 1.00 H new ATOM 1672 N LYS A 112 -3.306 15.523 -3.713 1.00 1.00 N ATOM 1673 CA LYS A 112 -4.768 15.548 -3.696 1.00 1.00 C ATOM 1674 C LYS A 112 -5.290 16.721 -4.519 1.00 1.00 C ATOM 1675 O LYS A 112 -6.499 16.898 -4.668 1.00 1.00 O ATOM 1676 CB LYS A 112 -5.302 15.643 -2.261 1.00 1.00 C ATOM 1677 CG LYS A 112 -4.423 14.812 -1.319 1.00 1.00 C ATOM 1678 CD LYS A 112 -5.305 14.105 -0.290 1.00 1.00 C ATOM 1679 CE LYS A 112 -6.152 15.139 0.456 1.00 1.00 C ATOM 1680 NZ LYS A 112 -6.205 14.788 1.902 1.00 1.00 N ATOM 0 H LYS A 112 -2.906 14.819 -4.334 1.00 1.00 H new ATOM 0 HA LYS A 112 -5.122 14.616 -4.136 1.00 1.00 H new ATOM 0 HB2 LYS A 112 -5.314 16.684 -1.937 1.00 1.00 H new ATOM 0 HB3 LYS A 112 -6.331 15.285 -2.222 1.00 1.00 H new ATOM 0 HG2 LYS A 112 -3.852 14.079 -1.889 1.00 1.00 H new ATOM 0 HG3 LYS A 112 -3.702 15.456 -0.815 1.00 1.00 H new ATOM 0 HD2 LYS A 112 -5.951 13.380 -0.786 1.00 1.00 H new ATOM 0 HD3 LYS A 112 -4.686 13.550 0.415 1.00 1.00 H new ATOM 0 HE2 LYS A 112 -5.726 16.134 0.328 1.00 1.00 H new ATOM 0 HE3 LYS A 112 -7.159 15.167 0.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 -6.780 15.490 2.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 -6.630 13.846 2.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 -5.241 14.782 2.293 1.00 1.00 H new ATOM 1694 N ILE A 113 -4.369 17.517 -5.054 1.00 1.00 N ATOM 1695 CA ILE A 113 -4.747 18.671 -5.863 1.00 1.00 C ATOM 1696 C ILE A 113 -4.901 18.270 -7.326 1.00 1.00 C ATOM 1697 O ILE A 113 -5.635 18.908 -8.082 1.00 1.00 O ATOM 1698 CB ILE A 113 -3.685 19.764 -5.742 1.00 1.00 C ATOM 1699 CG1 ILE A 113 -3.259 19.906 -4.276 1.00 1.00 C ATOM 1700 CG2 ILE A 113 -4.260 21.094 -6.234 1.00 1.00 C ATOM 1701 CD1 ILE A 113 -4.499 20.009 -3.386 1.00 1.00 C ATOM 0 H ILE A 113 -3.364 17.386 -4.943 1.00 1.00 H new ATOM 0 HA ILE A 113 -5.702 19.050 -5.498 1.00 1.00 H new ATOM 0 HB ILE A 113 -2.820 19.495 -6.348 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -2.656 19.048 -3.978 1.00 1.00 H new ATOM 0 HG13 ILE A 113 -2.636 20.792 -4.152 1.00 1.00 H new ATOM 0 HG21 ILE A 113 -3.502 21.872 -6.147 1.00 1.00 H new ATOM 0 HG22 ILE A 113 -4.562 20.996 -7.277 1.00 1.00 H new ATOM 0 HG23 ILE A 113 -5.126 21.362 -5.629 1.00 1.00 H new ATOM 0 HD11 ILE A 113 -4.192 20.110 -2.345 1.00 1.00 H new ATOM 0 HD12 ILE A 113 -5.085 20.881 -3.678 1.00 1.00 H new ATOM 0 HD13 ILE A 113 -5.105 19.110 -3.500 1.00 1.00 H new ATOM 1713 N ILE A 114 -4.205 17.210 -7.721 1.00 1.00 N ATOM 1714 CA ILE A 114 -4.271 16.732 -9.097 1.00 1.00 C ATOM 1715 C ILE A 114 -5.644 16.136 -9.392 1.00 1.00 C ATOM 1716 O ILE A 114 -5.961 15.824 -10.540 1.00 1.00 O ATOM 1717 CB ILE A 114 -3.193 15.675 -9.337 1.00 1.00 C ATOM 1718 CG1 ILE A 114 -2.976 14.867 -8.055 1.00 1.00 C ATOM 1719 CG2 ILE A 114 -1.886 16.360 -9.736 1.00 1.00 C ATOM 1720 CD1 ILE A 114 -2.467 13.471 -8.411 1.00 1.00 C ATOM 0 H ILE A 114 -3.592 16.668 -7.112 1.00 1.00 H new ATOM 0 HA ILE A 114 -4.103 17.579 -9.763 1.00 1.00 H new ATOM 0 HB ILE A 114 -3.511 15.007 -10.138 1.00 1.00 H new ATOM 0 HG12 ILE A 114 -2.258 15.374 -7.410 1.00 1.00 H new ATOM 0 HG13 ILE A 114 -3.909 14.794 -7.497 1.00 1.00 H new ATOM 0 HG21 ILE A 114 -1.118 15.606 -9.907 1.00 1.00 H new ATOM 0 HG22 ILE A 114 -2.040 16.935 -10.649 1.00 1.00 H new ATOM 0 HG23 ILE A 114 -1.567 17.029 -8.936 1.00 1.00 H new ATOM 0 HD11 ILE A 114 -2.313 12.896 -7.498 1.00 1.00 H new ATOM 0 HD12 ILE A 114 -3.201 12.965 -9.039 1.00 1.00 H new ATOM 0 HD13 ILE A 114 -1.524 13.554 -8.951 1.00 1.00 H new ATOM 1732 N PHE A 115 -6.452 15.981 -8.349 1.00 1.00 N ATOM 1733 CA PHE A 115 -7.788 15.420 -8.510 1.00 1.00 C ATOM 1734 C PHE A 115 -8.547 16.155 -9.610 1.00 1.00 C ATOM 1735 O PHE A 115 -9.328 15.554 -10.346 1.00 1.00 O ATOM 1736 CB PHE A 115 -8.560 15.526 -7.195 1.00 1.00 C ATOM 1737 CG PHE A 115 -8.940 14.142 -6.722 1.00 1.00 C ATOM 1738 CD1 PHE A 115 -9.988 13.453 -7.343 1.00 1.00 C ATOM 1739 CD2 PHE A 115 -8.244 13.550 -5.661 1.00 1.00 C ATOM 1740 CE1 PHE A 115 -10.341 12.172 -6.904 1.00 1.00 C ATOM 1741 CE2 PHE A 115 -8.597 12.269 -5.221 1.00 1.00 C ATOM 1742 CZ PHE A 115 -9.644 11.579 -5.843 1.00 1.00 C ATOM 0 H PHE A 115 -6.208 16.233 -7.391 1.00 1.00 H new ATOM 0 HA PHE A 115 -7.691 14.371 -8.790 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -7.950 16.025 -6.442 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -9.455 16.133 -7.334 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -10.524 13.910 -8.161 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -7.435 14.082 -5.182 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -11.150 11.641 -7.383 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -8.061 11.813 -4.401 1.00 1.00 H new ATOM 0 HZ PHE A 115 -9.915 10.590 -5.505 1.00 1.00 H new ATOM 1752 N GLU A 116 -8.313 17.459 -9.714 1.00 1.00 N ATOM 1753 CA GLU A 116 -8.980 18.267 -10.727 1.00 1.00 C ATOM 1754 C GLU A 116 -8.199 18.238 -12.038 1.00 1.00 C ATOM 1755 O GLU A 116 -6.999 18.027 -11.983 1.00 1.00 O ATOM 1756 CB GLU A 116 -9.111 19.712 -10.242 1.00 1.00 C ATOM 1757 CG GLU A 116 -10.396 19.863 -9.426 1.00 1.00 C ATOM 1758 CD GLU A 116 -10.390 18.885 -8.258 1.00 1.00 C ATOM 1759 OE1 GLU A 116 -9.317 18.605 -7.750 1.00 1.00 O ATOM 1760 OE2 GLU A 116 -11.460 18.429 -7.888 1.00 1.00 O ATOM 0 H GLU A 116 -7.671 17.976 -9.113 1.00 1.00 H new ATOM 0 HA GLU A 116 -9.972 17.850 -10.899 1.00 1.00 H new ATOM 0 HB2 GLU A 116 -8.248 19.982 -9.634 1.00 1.00 H new ATOM 0 HB3 GLU A 116 -9.126 20.392 -11.093 1.00 1.00 H new ATOM 0 HG2 GLU A 116 -10.483 20.884 -9.055 1.00 1.00 H new ATOM 0 HG3 GLU A 116 -11.263 19.679 -10.060 1.00 1.00 H new TER 1767 GLU A 116 HETATM 1768 O1 MTN A 128 3.118 2.284 -10.336 1.00 1.00 O HETATM 1769 N1 MTN A 128 3.953 3.022 -10.938 1.00 1.00 N HETATM 1770 C1 MTN A 128 5.290 3.338 -10.394 1.00 1.00 C HETATM 1771 C2 MTN A 128 5.808 4.205 -11.480 1.00 1.00 C HETATM 1772 C3 MTN A 128 4.959 4.377 -12.475 1.00 1.00 C HETATM 1773 C4 MTN A 128 5.219 5.200 -13.690 1.00 1.00 C HETATM 1774 S1 MTN A 128 6.585 4.600 -14.713 1.00 1.00 S HETATM 1775 C5 MTN A 128 3.658 3.641 -12.262 1.00 1.00 C HETATM 1776 C6 MTN A 128 2.439 4.554 -12.290 1.00 1.00 C HETATM 1777 C7 MTN A 128 3.527 2.532 -13.298 1.00 1.00 C HETATM 1778 C8 MTN A 128 6.118 2.070 -10.281 1.00 1.00 C HETATM 1779 C9 MTN A 128 5.232 4.080 -9.061 1.00 1.00 C HETATM 0 H93 MTN A 128 4.697 5.021 -9.191 1.00 1.00 H new HETATM 0 H92 MTN A 128 4.712 3.466 -8.325 1.00 1.00 H new HETATM 0 H91 MTN A 128 6.245 4.283 -8.713 1.00 1.00 H new HETATM 0 H83 MTN A 128 5.617 1.367 -9.615 1.00 1.00 H new HETATM 0 H82 MTN A 128 6.230 1.619 -11.267 1.00 1.00 H new HETATM 0 H81 MTN A 128 7.102 2.312 -9.879 1.00 1.00 H new HETATM 0 H73 MTN A 128 4.460 1.971 -13.350 1.00 1.00 H new HETATM 0 H72 MTN A 128 2.716 1.862 -13.013 1.00 1.00 H new HETATM 0 H71 MTN A 128 3.311 2.969 -14.273 1.00 1.00 H new HETATM 0 H63 MTN A 128 1.553 3.986 -12.007 1.00 1.00 H new HETATM 0 H62 MTN A 128 2.583 5.375 -11.588 1.00 1.00 H new HETATM 0 H61 MTN A 128 2.308 4.955 -13.295 1.00 1.00 H new HETATM 0 H42 MTN A 128 4.313 5.231 -14.295 1.00 1.00 H new HETATM 0 H41 MTN A 128 5.432 6.224 -13.383 1.00 1.00 H new HETATM 0 H2 MTN A 128 6.799 4.658 -11.458 1.00 1.00 H new HETATM 1795 O1 MTN A 129 1.219 1.730 -7.073 1.00 1.00 O HETATM 1796 N1 MTN A 129 1.193 0.974 -8.089 1.00 1.00 N HETATM 1797 C1 MTN A 129 2.157 -0.125 -8.301 1.00 1.00 C HETATM 1798 C2 MTN A 129 1.666 -0.648 -9.599 1.00 1.00 C HETATM 1799 C3 MTN A 129 0.620 0.003 -10.073 1.00 1.00 C HETATM 1800 C4 MTN A 129 -0.073 -0.308 -11.356 1.00 1.00 C HETATM 1801 S1 MTN A 129 1.008 -0.285 -12.805 1.00 1.00 S HETATM 1802 C5 MTN A 129 0.177 1.127 -9.168 1.00 1.00 C HETATM 1803 C6 MTN A 129 0.165 2.487 -9.855 1.00 1.00 C HETATM 1804 C7 MTN A 129 -1.196 0.803 -8.589 1.00 1.00 C HETATM 1805 C8 MTN A 129 2.000 -1.171 -7.210 1.00 1.00 C HETATM 1806 C9 MTN A 129 3.602 0.360 -8.398 1.00 1.00 C HETATM 0 H93 MTN A 129 3.698 1.051 -9.235 1.00 1.00 H new HETATM 0 H92 MTN A 129 3.878 0.869 -7.474 1.00 1.00 H new HETATM 0 H91 MTN A 129 4.262 -0.493 -8.554 1.00 1.00 H new HETATM 0 H83 MTN A 129 2.186 -0.714 -6.238 1.00 1.00 H new HETATM 0 H82 MTN A 129 0.987 -1.573 -7.234 1.00 1.00 H new HETATM 0 H81 MTN A 129 2.714 -1.978 -7.374 1.00 1.00 H new HETATM 0 H73 MTN A 129 -1.201 -0.221 -8.216 1.00 1.00 H new HETATM 0 H72 MTN A 129 -1.417 1.488 -7.771 1.00 1.00 H new HETATM 0 H71 MTN A 129 -1.953 0.910 -9.366 1.00 1.00 H new HETATM 0 H63 MTN A 129 -0.042 3.264 -9.120 1.00 1.00 H new HETATM 0 H62 MTN A 129 1.136 2.671 -10.314 1.00 1.00 H new HETATM 0 H61 MTN A 129 -0.608 2.499 -10.624 1.00 1.00 H new HETATM 0 H42 MTN A 129 -0.536 -1.292 -11.277 1.00 1.00 H new HETATM 0 H41 MTN A 129 -0.878 0.412 -11.505 1.00 1.00 H new HETATM 0 H2 MTN A 129 2.126 -1.492 -10.114 1.00 1.00 H new