USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 CYS SG : rot 51:sc= -0.269 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -1.07 K(o=-1.3,f=0.38) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.453 (180deg=-1.63!) USER MOD Single : A 4 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.35) USER MOD Single : A 7 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.11) USER MOD Single : A 8 ASN : amide:sc= 0.0118 K(o=0.012,f=-0.87) USER MOD Single : A 10 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-0.76) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -4.92! C(o=-4.9!,f=-6.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.235 K(o=-0.23,f=-0.89) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.21) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -55:sc= 0.451 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 106:sc= 0.0959 USER MOD Single : A 42 MET CE :methyl -179:sc= 0 (180deg=-0.00229) USER MOD Single : A 43 MET CE :methyl 180:sc= -1.48 (180deg=-1.48) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc=-0.00103 X(o=-0.001,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.091 K(o=-0.091,f=-0.78) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.321 K(o=0.32,f=-1.1) USER MOD Single : A 67 CYS SG : rot 164:sc= -0.962 USER MOD Single : A 73 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.96! K(o=-4!,f=-1.4) USER MOD Single : A 79 GLN : amide:sc= -3.13! K(o=-3.1!,f=-0.38) USER MOD Single : A 82 MET CE :methyl -143:sc= -0.351 (180deg=-1.47) USER MOD Single : A 85 CYS SG : rot -41:sc= 1.17 USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 91 SER OG : rot 68:sc= 0.586 USER MOD Single : A 93 ASN : amide:sc= -2.76 K(o=-2.8,f=-7.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -132:sc= -0.155 (180deg=-0.779) USER MOD Single : A 109 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.99) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -9.25! C(o=-9.3!,f=-15!) USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= 0.0445 (180deg=-0.113) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.197 40.870 -25.766 1.00 0.00 N ATOM 2 CA MET A 1 9.388 40.090 -25.450 1.00 0.00 C ATOM 3 C MET A 1 9.074 39.013 -24.416 1.00 0.00 C ATOM 4 O MET A 1 8.561 39.306 -23.336 1.00 0.00 O ATOM 5 CB MET A 1 10.500 41.003 -24.930 1.00 0.00 C ATOM 6 CG MET A 1 11.897 40.451 -25.160 1.00 0.00 C ATOM 7 SD MET A 1 12.302 39.099 -24.037 1.00 0.00 S ATOM 8 CE MET A 1 13.981 38.733 -24.542 1.00 0.00 C ATOM 0 H1 MET A 1 8.435 41.596 -26.471 1.00 0.00 H new ATOM 0 H2 MET A 1 7.462 40.242 -26.150 1.00 0.00 H new ATOM 0 H3 MET A 1 7.843 41.329 -24.902 1.00 0.00 H new ATOM 0 HA MET A 1 9.726 39.604 -26.365 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.418 41.975 -25.416 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.354 41.167 -23.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.981 40.101 -26.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.625 41.252 -25.036 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.372 37.915 -23.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.990 38.445 -25.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.604 39.617 -24.403 1.00 0.00 H new ATOM 18 N LYS A 2 9.383 37.766 -24.755 1.00 0.00 N ATOM 19 CA LYS A 2 9.135 36.645 -23.856 1.00 0.00 C ATOM 20 C LYS A 2 10.404 35.824 -23.647 1.00 0.00 C ATOM 21 O LYS A 2 11.185 35.624 -24.578 1.00 0.00 O ATOM 22 CB LYS A 2 8.024 35.753 -24.415 1.00 0.00 C ATOM 23 CG LYS A 2 8.351 35.150 -25.770 1.00 0.00 C ATOM 24 CD LYS A 2 7.166 34.392 -26.344 1.00 0.00 C ATOM 25 CE LYS A 2 6.277 35.299 -27.180 1.00 0.00 C ATOM 26 NZ LYS A 2 5.412 36.164 -26.331 1.00 0.00 N ATOM 0 H LYS A 2 9.806 37.506 -25.646 1.00 0.00 H new ATOM 0 HA LYS A 2 8.820 37.047 -22.893 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.825 34.948 -23.707 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.108 36.338 -24.499 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.647 35.941 -26.459 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.203 34.477 -25.674 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.524 33.565 -26.958 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.583 33.957 -25.532 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.898 35.924 -27.822 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.652 34.692 -27.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.518 36.355 -26.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.213 35.680 -25.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.900 37.062 -26.140 1.00 0.00 H new ATOM 40 N ASP A 3 10.601 35.349 -22.422 1.00 0.00 N ATOM 41 CA ASP A 3 11.773 34.547 -22.093 1.00 0.00 C ATOM 42 C ASP A 3 11.363 33.174 -21.570 1.00 0.00 C ATOM 43 O ASP A 3 10.221 32.972 -21.154 1.00 0.00 O ATOM 44 CB ASP A 3 12.633 35.267 -21.052 1.00 0.00 C ATOM 45 CG ASP A 3 14.102 34.910 -21.169 1.00 0.00 C ATOM 46 OD1 ASP A 3 14.519 34.459 -22.257 1.00 0.00 O ATOM 47 OD2 ASP A 3 14.835 35.083 -20.174 1.00 0.00 O ATOM 0 H ASP A 3 9.964 35.506 -21.641 1.00 0.00 H new ATOM 0 HA ASP A 3 12.356 34.409 -23.004 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.513 36.344 -21.168 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.279 35.013 -20.053 1.00 0.00 H new ATOM 52 N HIS A 4 12.301 32.233 -21.594 1.00 0.00 N ATOM 53 CA HIS A 4 12.036 30.878 -21.123 1.00 0.00 C ATOM 54 C HIS A 4 13.313 30.225 -20.601 1.00 0.00 C ATOM 55 O HIS A 4 14.400 30.797 -20.699 1.00 0.00 O ATOM 56 CB HIS A 4 11.440 30.031 -22.248 1.00 0.00 C ATOM 57 CG HIS A 4 12.297 29.976 -23.475 1.00 0.00 C ATOM 58 ND1 HIS A 4 11.790 30.083 -24.753 1.00 0.00 N ATOM 59 CD2 HIS A 4 13.635 29.826 -23.614 1.00 0.00 C ATOM 60 CE1 HIS A 4 12.779 29.999 -25.625 1.00 0.00 C ATOM 61 NE2 HIS A 4 13.909 29.843 -24.960 1.00 0.00 N ATOM 0 H HIS A 4 13.251 32.383 -21.934 1.00 0.00 H new ATOM 0 HA HIS A 4 11.318 30.938 -20.305 1.00 0.00 H new ATOM 0 HB2 HIS A 4 11.279 29.017 -21.882 1.00 0.00 H new ATOM 0 HB3 HIS A 4 10.463 30.433 -22.515 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.353 29.714 -22.815 1.00 0.00 H new ATOM 0 HE1 HIS A 4 12.680 30.049 -26.699 1.00 0.00 H new ATOM 0 HE2 HIS A 4 14.835 29.750 -25.378 1.00 0.00 H new ATOM 70 N LEU A 5 13.175 29.026 -20.047 1.00 0.00 N ATOM 71 CA LEU A 5 14.317 28.295 -19.509 1.00 0.00 C ATOM 72 C LEU A 5 14.220 26.810 -19.844 1.00 0.00 C ATOM 73 O LEU A 5 13.147 26.308 -20.180 1.00 0.00 O ATOM 74 CB LEU A 5 14.400 28.484 -17.993 1.00 0.00 C ATOM 75 CG LEU A 5 13.142 28.124 -17.203 1.00 0.00 C ATOM 76 CD1 LEU A 5 13.502 27.716 -15.782 1.00 0.00 C ATOM 77 CD2 LEU A 5 12.166 29.291 -17.193 1.00 0.00 C ATOM 0 H LEU A 5 12.283 28.539 -19.958 1.00 0.00 H new ATOM 0 HA LEU A 5 15.222 28.693 -19.969 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.226 27.881 -17.616 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.647 29.526 -17.790 1.00 0.00 H new ATOM 0 HG LEU A 5 12.660 27.277 -17.691 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.594 27.463 -15.235 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.163 26.849 -15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.008 28.543 -15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.276 29.016 -16.626 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.639 30.157 -16.729 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.882 29.537 -18.216 1.00 0.00 H new ATOM 89 N ILE A 6 15.347 26.113 -19.747 1.00 0.00 N ATOM 90 CA ILE A 6 15.388 24.685 -20.037 1.00 0.00 C ATOM 91 C ILE A 6 14.928 23.867 -18.835 1.00 0.00 C ATOM 92 O ILE A 6 15.444 24.026 -17.728 1.00 0.00 O ATOM 93 CB ILE A 6 16.804 24.232 -20.440 1.00 0.00 C ATOM 94 CG1 ILE A 6 17.285 25.016 -21.662 1.00 0.00 C ATOM 95 CG2 ILE A 6 16.822 22.737 -20.721 1.00 0.00 C ATOM 96 CD1 ILE A 6 18.775 24.911 -21.900 1.00 0.00 C ATOM 0 H ILE A 6 16.243 26.514 -19.470 1.00 0.00 H new ATOM 0 HA ILE A 6 14.709 24.513 -20.872 1.00 0.00 H new ATOM 0 HB ILE A 6 17.484 24.434 -19.612 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.758 24.655 -22.545 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.018 26.066 -21.538 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.829 22.432 -21.004 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.517 22.195 -19.826 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.132 22.511 -21.534 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.044 25.491 -22.782 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.310 25.299 -21.033 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.046 23.867 -22.056 1.00 0.00 H new ATOM 108 N HIS A 7 13.956 22.989 -19.060 1.00 0.00 N ATOM 109 CA HIS A 7 13.428 22.143 -17.996 1.00 0.00 C ATOM 110 C HIS A 7 14.329 20.935 -17.764 1.00 0.00 C ATOM 111 O HIS A 7 15.154 20.593 -18.610 1.00 0.00 O ATOM 112 CB HIS A 7 12.012 21.679 -18.339 1.00 0.00 C ATOM 113 CG HIS A 7 11.219 21.242 -17.146 1.00 0.00 C ATOM 114 ND1 HIS A 7 10.434 20.108 -17.139 1.00 0.00 N ATOM 115 CD2 HIS A 7 11.093 21.792 -15.916 1.00 0.00 C ATOM 116 CE1 HIS A 7 9.859 19.981 -15.956 1.00 0.00 C ATOM 117 NE2 HIS A 7 10.243 20.990 -15.196 1.00 0.00 N ATOM 0 H HIS A 7 13.518 22.845 -19.970 1.00 0.00 H new ATOM 0 HA HIS A 7 13.397 22.732 -17.080 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.484 22.491 -18.839 1.00 0.00 H new ATOM 0 HB3 HIS A 7 12.071 20.853 -19.048 1.00 0.00 H new ATOM 0 HD2 HIS A 7 11.572 22.694 -15.566 1.00 0.00 H new ATOM 0 HE1 HIS A 7 9.189 19.187 -15.661 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.955 21.148 -14.230 1.00 0.00 H new ATOM 126 N ASN A 8 14.166 20.293 -16.612 1.00 0.00 N ATOM 127 CA ASN A 8 14.966 19.123 -16.268 1.00 0.00 C ATOM 128 C ASN A 8 14.196 17.836 -16.547 1.00 0.00 C ATOM 129 O ASN A 8 12.972 17.848 -16.676 1.00 0.00 O ATOM 130 CB ASN A 8 15.378 19.176 -14.796 1.00 0.00 C ATOM 131 CG ASN A 8 14.217 18.899 -13.860 1.00 0.00 C ATOM 132 OD1 ASN A 8 13.308 19.718 -13.723 1.00 0.00 O ATOM 133 ND2 ASN A 8 14.243 17.741 -13.211 1.00 0.00 N ATOM 0 H ASN A 8 13.487 20.563 -15.901 1.00 0.00 H new ATOM 0 HA ASN A 8 15.862 19.131 -16.889 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.168 18.447 -14.616 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.794 20.158 -14.573 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.489 17.500 -12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.017 17.093 -13.356 1.00 0.00 H new ATOM 140 N VAL A 9 14.922 16.726 -16.638 1.00 0.00 N ATOM 141 CA VAL A 9 14.308 15.430 -16.899 1.00 0.00 C ATOM 142 C VAL A 9 14.944 14.338 -16.046 1.00 0.00 C ATOM 143 O VAL A 9 16.093 13.953 -16.268 1.00 0.00 O ATOM 144 CB VAL A 9 14.427 15.041 -18.384 1.00 0.00 C ATOM 145 CG1 VAL A 9 13.383 15.773 -19.214 1.00 0.00 C ATOM 146 CG2 VAL A 9 15.829 15.332 -18.899 1.00 0.00 C ATOM 0 H VAL A 9 15.936 16.699 -16.535 1.00 0.00 H new ATOM 0 HA VAL A 9 13.254 15.522 -16.639 1.00 0.00 H new ATOM 0 HB VAL A 9 14.244 13.970 -18.477 1.00 0.00 H new ATOM 0 HG11 VAL A 9 13.483 15.485 -20.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.386 15.510 -18.859 1.00 0.00 H new ATOM 0 HG13 VAL A 9 13.531 16.849 -19.118 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.896 15.051 -19.950 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.042 16.396 -18.793 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.555 14.758 -18.323 1.00 0.00 H new ATOM 156 N HIS A 10 14.190 13.842 -15.070 1.00 0.00 N ATOM 157 CA HIS A 10 14.680 12.793 -14.184 1.00 0.00 C ATOM 158 C HIS A 10 14.866 11.483 -14.943 1.00 0.00 C ATOM 159 O HIS A 10 13.900 10.776 -15.230 1.00 0.00 O ATOM 160 CB HIS A 10 13.712 12.587 -13.018 1.00 0.00 C ATOM 161 CG HIS A 10 14.051 11.408 -12.159 1.00 0.00 C ATOM 162 ND1 HIS A 10 13.111 10.495 -11.730 1.00 0.00 N ATOM 163 CD2 HIS A 10 15.235 10.994 -11.651 1.00 0.00 C ATOM 164 CE1 HIS A 10 13.702 9.571 -10.993 1.00 0.00 C ATOM 165 NE2 HIS A 10 14.992 9.851 -10.930 1.00 0.00 N ATOM 0 H HIS A 10 13.238 14.150 -14.873 1.00 0.00 H new ATOM 0 HA HIS A 10 15.648 13.106 -13.792 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.703 13.485 -12.401 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.703 12.461 -13.412 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.193 11.474 -11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.214 8.730 -10.522 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.693 9.307 -10.428 1.00 0.00 H new ATOM 174 N LYS A 11 16.115 11.165 -15.268 1.00 0.00 N ATOM 175 CA LYS A 11 16.429 9.940 -15.994 1.00 0.00 C ATOM 176 C LYS A 11 16.950 8.864 -15.046 1.00 0.00 C ATOM 177 O LYS A 11 17.834 9.120 -14.229 1.00 0.00 O ATOM 178 CB LYS A 11 17.465 10.220 -17.084 1.00 0.00 C ATOM 179 CG LYS A 11 16.937 11.082 -18.218 1.00 0.00 C ATOM 180 CD LYS A 11 18.069 11.714 -19.011 1.00 0.00 C ATOM 181 CE LYS A 11 18.730 12.843 -18.236 1.00 0.00 C ATOM 182 NZ LYS A 11 20.155 13.026 -18.628 1.00 0.00 N ATOM 0 H LYS A 11 16.927 11.739 -15.040 1.00 0.00 H new ATOM 0 HA LYS A 11 15.512 9.577 -16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.328 10.713 -16.636 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.816 9.272 -17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.321 10.475 -18.882 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.294 11.864 -17.813 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.812 10.955 -19.255 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.683 12.097 -19.956 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.184 13.770 -18.409 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.671 12.633 -17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.569 13.805 -18.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.682 12.150 -18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.210 13.252 -19.642 1.00 0.00 H new ATOM 196 N GLU A 12 16.398 7.660 -15.163 1.00 0.00 N ATOM 197 CA GLU A 12 16.809 6.547 -14.317 1.00 0.00 C ATOM 198 C GLU A 12 17.466 5.446 -15.146 1.00 0.00 C ATOM 199 O GLU A 12 16.818 4.814 -15.979 1.00 0.00 O ATOM 200 CB GLU A 12 15.606 5.981 -13.560 1.00 0.00 C ATOM 201 CG GLU A 12 15.261 6.755 -12.298 1.00 0.00 C ATOM 202 CD GLU A 12 16.042 6.277 -11.089 1.00 0.00 C ATOM 203 OE1 GLU A 12 15.703 5.202 -10.551 1.00 0.00 O ATOM 204 OE2 GLU A 12 16.992 6.977 -10.681 1.00 0.00 O ATOM 0 H GLU A 12 15.666 7.431 -15.835 1.00 0.00 H new ATOM 0 HA GLU A 12 17.538 6.921 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.740 5.977 -14.222 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.809 4.943 -13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.461 7.814 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.194 6.659 -12.098 1.00 0.00 H new ATOM 211 N GLU A 13 18.755 5.226 -14.910 1.00 0.00 N ATOM 212 CA GLU A 13 19.500 4.203 -15.636 1.00 0.00 C ATOM 213 C GLU A 13 19.925 3.074 -14.703 1.00 0.00 C ATOM 214 O GLU A 13 19.715 3.143 -13.491 1.00 0.00 O ATOM 215 CB GLU A 13 20.731 4.817 -16.306 1.00 0.00 C ATOM 216 CG GLU A 13 20.429 5.487 -17.636 1.00 0.00 C ATOM 217 CD GLU A 13 21.514 6.459 -18.059 1.00 0.00 C ATOM 218 OE1 GLU A 13 22.706 6.136 -17.870 1.00 0.00 O ATOM 219 OE2 GLU A 13 21.172 7.542 -18.577 1.00 0.00 O ATOM 0 H GLU A 13 19.305 5.741 -14.223 1.00 0.00 H new ATOM 0 HA GLU A 13 18.846 3.789 -16.403 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.174 5.550 -15.632 1.00 0.00 H new ATOM 0 HB3 GLU A 13 21.476 4.037 -16.462 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.311 4.723 -18.405 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.479 6.017 -17.564 1.00 0.00 H new ATOM 226 N HIS A 14 20.524 2.034 -15.275 1.00 0.00 N ATOM 227 CA HIS A 14 20.979 0.889 -14.495 1.00 0.00 C ATOM 228 C HIS A 14 19.913 0.456 -13.493 1.00 0.00 C ATOM 229 O HIS A 14 20.220 0.136 -12.345 1.00 0.00 O ATOM 230 CB HIS A 14 22.277 1.228 -13.762 1.00 0.00 C ATOM 231 CG HIS A 14 23.461 1.361 -14.669 1.00 0.00 C ATOM 232 ND1 HIS A 14 24.706 0.855 -14.361 1.00 0.00 N ATOM 233 CD2 HIS A 14 23.584 1.944 -15.884 1.00 0.00 C ATOM 234 CE1 HIS A 14 25.544 1.123 -15.346 1.00 0.00 C ATOM 235 NE2 HIS A 14 24.888 1.783 -16.283 1.00 0.00 N ATOM 0 H HIS A 14 20.705 1.961 -16.276 1.00 0.00 H new ATOM 0 HA HIS A 14 21.164 0.063 -15.182 1.00 0.00 H new ATOM 0 HB2 HIS A 14 22.142 2.161 -13.215 1.00 0.00 H new ATOM 0 HB3 HIS A 14 22.481 0.452 -13.024 1.00 0.00 H new ATOM 0 HD2 HIS A 14 22.802 2.443 -16.437 1.00 0.00 H new ATOM 0 HE1 HIS A 14 26.588 0.849 -15.379 1.00 0.00 H new ATOM 0 HE2 HIS A 14 25.285 2.119 -17.160 1.00 0.00 H new ATOM 244 N ALA A 15 18.660 0.449 -13.935 1.00 0.00 N ATOM 245 CA ALA A 15 17.549 0.055 -13.078 1.00 0.00 C ATOM 246 C ALA A 15 16.545 -0.803 -13.841 1.00 0.00 C ATOM 247 O ALA A 15 16.384 -0.659 -15.053 1.00 0.00 O ATOM 248 CB ALA A 15 16.864 1.285 -12.501 1.00 0.00 C ATOM 0 H ALA A 15 18.389 0.712 -14.882 1.00 0.00 H new ATOM 0 HA ALA A 15 17.949 -0.542 -12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.036 0.975 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.581 1.858 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.484 1.904 -13.313 1.00 0.00 H new ATOM 254 N HIS A 16 15.870 -1.696 -13.123 1.00 0.00 N ATOM 255 CA HIS A 16 14.881 -2.577 -13.733 1.00 0.00 C ATOM 256 C HIS A 16 14.136 -1.862 -14.856 1.00 0.00 C ATOM 257 O HIS A 16 13.832 -0.674 -14.754 1.00 0.00 O ATOM 258 CB HIS A 16 13.889 -3.071 -12.679 1.00 0.00 C ATOM 259 CG HIS A 16 13.444 -2.003 -11.729 1.00 0.00 C ATOM 260 ND1 HIS A 16 13.928 -1.891 -10.442 1.00 0.00 N ATOM 261 CD2 HIS A 16 12.555 -0.994 -11.883 1.00 0.00 C ATOM 262 CE1 HIS A 16 13.354 -0.861 -9.846 1.00 0.00 C ATOM 263 NE2 HIS A 16 12.517 -0.299 -10.700 1.00 0.00 N ATOM 0 H HIS A 16 15.990 -1.828 -12.119 1.00 0.00 H new ATOM 0 HA HIS A 16 15.405 -3.433 -14.157 1.00 0.00 H new ATOM 0 HB2 HIS A 16 13.015 -3.487 -13.181 1.00 0.00 H new ATOM 0 HB3 HIS A 16 14.347 -3.882 -12.113 1.00 0.00 H new ATOM 0 HD2 HIS A 16 11.982 -0.776 -12.772 1.00 0.00 H new ATOM 0 HE1 HIS A 16 13.538 -0.534 -8.833 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.937 0.518 -10.511 1.00 0.00 H new ATOM 272 N ALA A 17 13.844 -2.595 -15.926 1.00 0.00 N ATOM 273 CA ALA A 17 13.133 -2.031 -17.067 1.00 0.00 C ATOM 274 C ALA A 17 11.991 -2.941 -17.506 1.00 0.00 C ATOM 275 O ALA A 17 12.205 -3.921 -18.220 1.00 0.00 O ATOM 276 CB ALA A 17 14.095 -1.791 -18.222 1.00 0.00 C ATOM 0 H ALA A 17 14.089 -3.580 -16.026 1.00 0.00 H new ATOM 0 HA ALA A 17 12.705 -1.076 -16.762 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.551 -1.370 -19.067 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.873 -1.095 -17.909 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.551 -2.736 -18.518 1.00 0.00 H new ATOM 282 N HIS A 18 10.778 -2.610 -17.075 1.00 0.00 N ATOM 283 CA HIS A 18 9.602 -3.398 -17.425 1.00 0.00 C ATOM 284 C HIS A 18 9.906 -4.892 -17.347 1.00 0.00 C ATOM 285 O HIS A 18 9.405 -5.679 -18.149 1.00 0.00 O ATOM 286 CB HIS A 18 9.118 -3.037 -18.830 1.00 0.00 C ATOM 287 CG HIS A 18 8.129 -1.912 -18.852 1.00 0.00 C ATOM 288 ND1 HIS A 18 6.808 -2.079 -19.209 1.00 0.00 N ATOM 289 CD2 HIS A 18 8.275 -0.599 -18.556 1.00 0.00 C ATOM 290 CE1 HIS A 18 6.184 -0.917 -19.134 1.00 0.00 C ATOM 291 NE2 HIS A 18 7.052 -0.003 -18.740 1.00 0.00 N ATOM 0 H HIS A 18 10.584 -1.802 -16.483 1.00 0.00 H new ATOM 0 HA HIS A 18 8.814 -3.167 -16.708 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.978 -2.766 -19.443 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.665 -3.917 -19.287 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.184 -0.112 -18.235 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.142 -0.744 -19.357 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.847 0.986 -18.596 1.00 0.00 H new ATOM 300 N ASN A 19 10.729 -5.273 -16.377 1.00 0.00 N ATOM 301 CA ASN A 19 11.101 -6.672 -16.195 1.00 0.00 C ATOM 302 C ASN A 19 10.779 -7.141 -14.780 1.00 0.00 C ATOM 303 O ASN A 19 10.301 -6.367 -13.950 1.00 0.00 O ATOM 304 CB ASN A 19 12.591 -6.867 -16.483 1.00 0.00 C ATOM 305 CG ASN A 19 13.422 -5.671 -16.060 1.00 0.00 C ATOM 306 OD1 ASN A 19 14.132 -5.076 -16.871 1.00 0.00 O ATOM 307 ND2 ASN A 19 13.338 -5.313 -14.784 1.00 0.00 N ATOM 0 H ASN A 19 11.152 -4.633 -15.704 1.00 0.00 H new ATOM 0 HA ASN A 19 10.521 -7.271 -16.897 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.946 -7.756 -15.961 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.732 -7.046 -17.549 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.875 -4.516 -14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.737 -5.835 -14.146 1.00 0.00 H new ATOM 314 N LYS A 20 11.045 -8.415 -14.510 1.00 0.00 N ATOM 315 CA LYS A 20 10.786 -8.989 -13.195 1.00 0.00 C ATOM 316 C LYS A 20 11.989 -9.788 -12.704 1.00 0.00 C ATOM 317 O LYS A 20 11.923 -11.010 -12.572 1.00 0.00 O ATOM 318 CB LYS A 20 9.548 -9.888 -13.243 1.00 0.00 C ATOM 319 CG LYS A 20 8.297 -9.176 -13.728 1.00 0.00 C ATOM 320 CD LYS A 20 8.176 -9.230 -15.241 1.00 0.00 C ATOM 321 CE LYS A 20 7.088 -8.295 -15.747 1.00 0.00 C ATOM 322 NZ LYS A 20 5.734 -8.904 -15.626 1.00 0.00 N ATOM 0 H LYS A 20 11.440 -9.070 -15.185 1.00 0.00 H new ATOM 0 HA LYS A 20 10.606 -8.171 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.750 -10.736 -13.898 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.363 -10.291 -12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.418 -9.634 -13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.319 -8.137 -13.401 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.130 -8.958 -15.693 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.954 -10.251 -15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.119 -7.363 -15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.281 -8.043 -16.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.020 -8.236 -15.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.696 -9.780 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.539 -9.121 -14.628 1.00 0.00 H new ATOM 336 N ASP A 21 13.086 -9.089 -12.433 1.00 0.00 N ATOM 337 CA ASP A 21 14.303 -9.733 -11.953 1.00 0.00 C ATOM 338 C ASP A 21 14.822 -9.046 -10.694 1.00 0.00 C ATOM 339 O ASP A 21 15.725 -8.211 -10.758 1.00 0.00 O ATOM 340 CB ASP A 21 15.379 -9.713 -13.040 1.00 0.00 C ATOM 341 CG ASP A 21 16.623 -10.480 -12.638 1.00 0.00 C ATOM 342 OD1 ASP A 21 16.584 -11.729 -12.659 1.00 0.00 O ATOM 343 OD2 ASP A 21 17.636 -9.832 -12.303 1.00 0.00 O ATOM 0 H ASP A 21 13.157 -8.077 -12.538 1.00 0.00 H new ATOM 0 HA ASP A 21 14.064 -10.768 -11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.973 -10.140 -13.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.648 -8.680 -13.262 1.00 0.00 H new ATOM 348 N TYR A 22 14.245 -9.401 -9.552 1.00 0.00 N ATOM 349 CA TYR A 22 14.647 -8.815 -8.278 1.00 0.00 C ATOM 350 C TYR A 22 15.013 -9.901 -7.271 1.00 0.00 C ATOM 351 O TYR A 22 14.768 -11.085 -7.501 1.00 0.00 O ATOM 352 CB TYR A 22 13.523 -7.941 -7.718 1.00 0.00 C ATOM 353 CG TYR A 22 12.139 -8.442 -8.060 1.00 0.00 C ATOM 354 CD1 TYR A 22 11.687 -8.452 -9.374 1.00 0.00 C ATOM 355 CD2 TYR A 22 11.282 -8.908 -7.069 1.00 0.00 C ATOM 356 CE1 TYR A 22 10.422 -8.908 -9.691 1.00 0.00 C ATOM 357 CE2 TYR A 22 10.016 -9.367 -7.378 1.00 0.00 C ATOM 358 CZ TYR A 22 9.591 -9.365 -8.689 1.00 0.00 C ATOM 359 OH TYR A 22 8.330 -9.821 -9.001 1.00 0.00 O ATOM 0 H TYR A 22 13.498 -10.091 -9.482 1.00 0.00 H new ATOM 0 HA TYR A 22 15.527 -8.196 -8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 22 13.623 -7.886 -6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 22 13.638 -6.927 -8.101 1.00 0.00 H new ATOM 0 HD1 TYR A 22 12.336 -8.097 -10.161 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.612 -8.911 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.086 -8.907 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.363 -9.726 -6.596 1.00 0.00 H new ATOM 0 HH TYR A 22 7.874 -10.108 -8.182 1.00 0.00 H new ATOM 369 N ASP A 23 15.600 -9.487 -6.153 1.00 0.00 N ATOM 370 CA ASP A 23 15.999 -10.423 -5.108 1.00 0.00 C ATOM 371 C ASP A 23 14.890 -10.588 -4.074 1.00 0.00 C ATOM 372 O ASP A 23 14.543 -9.642 -3.366 1.00 0.00 O ATOM 373 CB ASP A 23 17.282 -9.943 -4.427 1.00 0.00 C ATOM 374 CG ASP A 23 17.793 -10.929 -3.395 1.00 0.00 C ATOM 375 OD1 ASP A 23 17.477 -12.132 -3.515 1.00 0.00 O ATOM 376 OD2 ASP A 23 18.511 -10.499 -2.468 1.00 0.00 O ATOM 0 H ASP A 23 15.810 -8.510 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 23 16.184 -11.391 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.051 -9.780 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.098 -8.982 -3.947 1.00 0.00 H new ATOM 381 N ILE A 24 14.338 -11.794 -3.993 1.00 0.00 N ATOM 382 CA ILE A 24 13.268 -12.081 -3.045 1.00 0.00 C ATOM 383 C ILE A 24 13.829 -12.581 -1.718 1.00 0.00 C ATOM 384 O ILE A 24 14.750 -13.398 -1.673 1.00 0.00 O ATOM 385 CB ILE A 24 12.289 -13.131 -3.604 1.00 0.00 C ATOM 386 CG1 ILE A 24 12.268 -13.079 -5.133 1.00 0.00 C ATOM 387 CG2 ILE A 24 10.894 -12.905 -3.042 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.980 -11.701 -5.686 1.00 0.00 C ATOM 0 H ILE A 24 14.614 -12.587 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 24 12.732 -11.146 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 24 12.628 -14.121 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.231 -13.421 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.514 -13.775 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.213 -13.654 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.922 -12.988 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.546 -11.911 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.980 -11.739 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.004 -11.365 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.747 -11.005 -5.347 1.00 0.00 H new ATOM 400 N PRO A 25 13.262 -12.081 -0.611 1.00 0.00 N ATOM 401 CA PRO A 25 13.687 -12.464 0.739 1.00 0.00 C ATOM 402 C PRO A 25 13.313 -13.903 1.078 1.00 0.00 C ATOM 403 O PRO A 25 12.731 -14.614 0.259 1.00 0.00 O ATOM 404 CB PRO A 25 12.929 -11.488 1.641 1.00 0.00 C ATOM 405 CG PRO A 25 11.728 -11.096 0.850 1.00 0.00 C ATOM 406 CD PRO A 25 12.160 -11.104 -0.590 1.00 0.00 C ATOM 0 HA PRO A 25 14.770 -12.417 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.647 -11.958 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.541 -10.620 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.907 -11.794 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.371 -10.109 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.347 -11.402 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.491 -10.118 -0.916 1.00 0.00 H new ATOM 414 N THR A 26 13.651 -14.327 2.292 1.00 0.00 N ATOM 415 CA THR A 26 13.352 -15.682 2.739 1.00 0.00 C ATOM 416 C THR A 26 12.039 -15.727 3.514 1.00 0.00 C ATOM 417 O THR A 26 11.485 -16.800 3.755 1.00 0.00 O ATOM 418 CB THR A 26 14.478 -16.242 3.627 1.00 0.00 C ATOM 419 OG1 THR A 26 14.690 -15.381 4.752 1.00 0.00 O ATOM 420 CG2 THR A 26 15.771 -16.382 2.838 1.00 0.00 C ATOM 0 H THR A 26 14.132 -13.751 2.983 1.00 0.00 H new ATOM 0 HA THR A 26 13.265 -16.298 1.844 1.00 0.00 H new ATOM 0 HB THR A 26 14.177 -17.229 3.978 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.407 -15.745 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.552 -16.779 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.614 -17.062 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.075 -15.405 2.461 1.00 0.00 H new ATOM 428 N THR A 27 11.545 -14.555 3.901 1.00 0.00 N ATOM 429 CA THR A 27 10.297 -14.461 4.648 1.00 0.00 C ATOM 430 C THR A 27 9.200 -15.292 3.993 1.00 0.00 C ATOM 431 O THR A 27 9.314 -15.681 2.832 1.00 0.00 O ATOM 432 CB THR A 27 9.820 -13.001 4.764 1.00 0.00 C ATOM 433 OG1 THR A 27 9.947 -12.343 3.499 1.00 0.00 O ATOM 434 CG2 THR A 27 10.625 -12.251 5.815 1.00 0.00 C ATOM 0 H THR A 27 11.990 -13.658 3.709 1.00 0.00 H new ATOM 0 HA THR A 27 10.496 -14.850 5.646 1.00 0.00 H new ATOM 0 HB THR A 27 8.773 -13.006 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.640 -11.416 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.270 -11.222 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.503 -12.738 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.679 -12.255 5.537 1.00 0.00 H new ATOM 442 N GLU A 28 8.137 -15.559 4.746 1.00 0.00 N ATOM 443 CA GLU A 28 7.019 -16.344 4.236 1.00 0.00 C ATOM 444 C GLU A 28 5.778 -15.474 4.062 1.00 0.00 C ATOM 445 O GLU A 28 4.670 -15.878 4.413 1.00 0.00 O ATOM 446 CB GLU A 28 6.712 -17.508 5.182 1.00 0.00 C ATOM 447 CG GLU A 28 7.568 -18.738 4.932 1.00 0.00 C ATOM 448 CD GLU A 28 6.900 -20.018 5.396 1.00 0.00 C ATOM 449 OE1 GLU A 28 6.791 -20.219 6.623 1.00 0.00 O ATOM 450 OE2 GLU A 28 6.487 -20.818 4.531 1.00 0.00 O ATOM 0 H GLU A 28 8.027 -15.244 5.710 1.00 0.00 H new ATOM 0 HA GLU A 28 7.301 -16.742 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.858 -17.177 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.661 -17.780 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.788 -18.813 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.522 -18.623 5.447 1.00 0.00 H new ATOM 457 N ASN A 29 5.973 -14.277 3.518 1.00 0.00 N ATOM 458 CA ASN A 29 4.870 -13.349 3.298 1.00 0.00 C ATOM 459 C ASN A 29 4.864 -12.843 1.859 1.00 0.00 C ATOM 460 O ASN A 29 5.919 -12.636 1.258 1.00 0.00 O ATOM 461 CB ASN A 29 4.970 -12.168 4.266 1.00 0.00 C ATOM 462 CG ASN A 29 4.591 -12.549 5.684 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.413 -12.567 6.040 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.592 -12.855 6.501 1.00 0.00 N ATOM 0 H ASN A 29 6.884 -13.927 3.222 1.00 0.00 H new ATOM 0 HA ASN A 29 3.937 -13.882 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.988 -11.780 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.319 -11.364 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.399 -13.119 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.554 -12.827 6.162 1.00 0.00 H new ATOM 471 N LEU A 30 3.669 -12.644 1.313 1.00 0.00 N ATOM 472 CA LEU A 30 3.525 -12.161 -0.056 1.00 0.00 C ATOM 473 C LEU A 30 3.125 -10.690 -0.075 1.00 0.00 C ATOM 474 O LEU A 30 2.229 -10.270 0.659 1.00 0.00 O ATOM 475 CB LEU A 30 2.483 -12.995 -0.804 1.00 0.00 C ATOM 476 CG LEU A 30 2.960 -14.347 -1.334 1.00 0.00 C ATOM 477 CD1 LEU A 30 4.085 -14.160 -2.340 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.410 -15.241 -0.188 1.00 0.00 C ATOM 0 H LEU A 30 2.787 -12.810 1.797 1.00 0.00 H new ATOM 0 HA LEU A 30 4.489 -12.262 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.638 -13.166 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.112 -12.408 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 30 2.125 -14.832 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.411 -15.133 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.729 -13.559 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.922 -13.654 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.746 -16.199 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.230 -14.762 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.577 -15.403 0.496 1.00 0.00 H new ATOM 490 N TYR A 31 3.792 -9.911 -0.919 1.00 0.00 N ATOM 491 CA TYR A 31 3.506 -8.486 -1.034 1.00 0.00 C ATOM 492 C TYR A 31 2.894 -8.161 -2.393 1.00 0.00 C ATOM 493 O TYR A 31 3.108 -8.877 -3.371 1.00 0.00 O ATOM 494 CB TYR A 31 4.784 -7.670 -0.829 1.00 0.00 C ATOM 495 CG TYR A 31 5.515 -8.001 0.453 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.899 -7.837 1.688 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.820 -8.475 0.429 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.563 -8.137 2.862 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.491 -8.779 1.598 1.00 0.00 C ATOM 500 CZ TYR A 31 6.858 -8.608 2.812 1.00 0.00 C ATOM 501 OH TYR A 31 7.523 -8.908 3.978 1.00 0.00 O ATOM 0 H TYR A 31 4.535 -10.243 -1.534 1.00 0.00 H new ATOM 0 HA TYR A 31 2.786 -8.222 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.453 -7.840 -1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.532 -6.610 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.885 -7.469 1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.319 -8.608 -0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.070 -8.003 3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.505 -9.148 1.562 1.00 0.00 H new ATOM 0 HH TYR A 31 8.425 -9.229 3.767 1.00 0.00 H new ATOM 511 N PHE A 32 2.131 -7.074 -2.446 1.00 0.00 N ATOM 512 CA PHE A 32 1.487 -6.652 -3.684 1.00 0.00 C ATOM 513 C PHE A 32 1.354 -5.132 -3.737 1.00 0.00 C ATOM 514 O PHE A 32 1.413 -4.458 -2.710 1.00 0.00 O ATOM 515 CB PHE A 32 0.107 -7.300 -3.812 1.00 0.00 C ATOM 516 CG PHE A 32 0.110 -8.776 -3.534 1.00 0.00 C ATOM 517 CD1 PHE A 32 0.259 -9.250 -2.240 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.035 -9.689 -4.566 1.00 0.00 C ATOM 519 CE1 PHE A 32 0.262 -10.608 -1.981 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.033 -11.048 -4.312 1.00 0.00 C ATOM 521 CZ PHE A 32 0.117 -11.508 -3.018 1.00 0.00 C ATOM 0 H PHE A 32 1.944 -6.470 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 32 2.111 -6.974 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.581 -6.810 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.274 -7.129 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.374 -8.551 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.151 -9.335 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.378 -10.965 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.149 -11.750 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.121 -12.569 -2.818 1.00 0.00 H new ATOM 531 N GLN A 33 1.175 -4.602 -4.943 1.00 0.00 N ATOM 532 CA GLN A 33 1.035 -3.163 -5.131 1.00 0.00 C ATOM 533 C GLN A 33 -0.054 -2.850 -6.151 1.00 0.00 C ATOM 534 O GLN A 33 -0.190 -3.541 -7.160 1.00 0.00 O ATOM 535 CB GLN A 33 2.364 -2.555 -5.583 1.00 0.00 C ATOM 536 CG GLN A 33 2.820 -3.038 -6.950 1.00 0.00 C ATOM 537 CD GLN A 33 3.696 -2.028 -7.664 1.00 0.00 C ATOM 538 OE1 GLN A 33 3.344 -1.529 -8.734 1.00 0.00 O ATOM 539 NE2 GLN A 33 4.846 -1.720 -7.075 1.00 0.00 N ATOM 0 H GLN A 33 1.124 -5.147 -5.804 1.00 0.00 H new ATOM 0 HA GLN A 33 0.749 -2.724 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.269 -1.469 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.132 -2.794 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.369 -3.973 -6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.946 -3.254 -7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.098 -2.157 -6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.477 -1.046 -7.509 1.00 0.00 H new ATOM 548 N GLY A 34 -0.829 -1.804 -5.881 1.00 0.00 N ATOM 549 CA GLY A 34 -1.897 -1.419 -6.785 1.00 0.00 C ATOM 550 C GLY A 34 -3.055 -0.756 -6.065 1.00 0.00 C ATOM 551 O GLY A 34 -4.169 -1.278 -6.054 1.00 0.00 O ATOM 0 H GLY A 34 -0.736 -1.216 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.503 -0.737 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.259 -2.302 -7.312 1.00 0.00 H new ATOM 555 N SER A 35 -2.790 0.399 -5.461 1.00 0.00 N ATOM 556 CA SER A 35 -3.818 1.132 -4.731 1.00 0.00 C ATOM 557 C SER A 35 -4.860 1.704 -5.687 1.00 0.00 C ATOM 558 O SER A 35 -4.640 1.768 -6.896 1.00 0.00 O ATOM 559 CB SER A 35 -3.185 2.259 -3.913 1.00 0.00 C ATOM 560 OG SER A 35 -2.654 3.266 -4.757 1.00 0.00 O ATOM 0 H SER A 35 -1.873 0.846 -5.463 1.00 0.00 H new ATOM 0 HA SER A 35 -4.315 0.437 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.932 2.694 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.394 1.854 -3.282 1.00 0.00 H new ATOM 0 HG SER A 35 -2.257 3.975 -4.210 1.00 0.00 H new ATOM 566 N SER A 36 -5.995 2.120 -5.135 1.00 0.00 N ATOM 567 CA SER A 36 -7.074 2.684 -5.937 1.00 0.00 C ATOM 568 C SER A 36 -7.523 4.030 -5.376 1.00 0.00 C ATOM 569 O SER A 36 -8.709 4.356 -5.388 1.00 0.00 O ATOM 570 CB SER A 36 -8.260 1.718 -5.987 1.00 0.00 C ATOM 571 OG SER A 36 -9.228 2.147 -6.929 1.00 0.00 O ATOM 0 H SER A 36 -6.191 2.077 -4.135 1.00 0.00 H new ATOM 0 HA SER A 36 -6.698 2.839 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.909 0.720 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.716 1.646 -5.000 1.00 0.00 H new ATOM 0 HG SER A 36 -9.500 3.066 -6.724 1.00 0.00 H new ATOM 577 N GLY A 37 -6.563 4.808 -4.884 1.00 0.00 N ATOM 578 CA GLY A 37 -6.878 6.110 -4.324 1.00 0.00 C ATOM 579 C GLY A 37 -6.233 6.330 -2.971 1.00 0.00 C ATOM 580 O GLY A 37 -5.061 6.696 -2.886 1.00 0.00 O ATOM 0 H GLY A 37 -5.574 4.560 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.547 6.888 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.959 6.209 -4.228 1.00 0.00 H new ATOM 584 N SER A 38 -7.000 6.109 -1.908 1.00 0.00 N ATOM 585 CA SER A 38 -6.498 6.291 -0.551 1.00 0.00 C ATOM 586 C SER A 38 -6.400 4.953 0.176 1.00 0.00 C ATOM 587 O SER A 38 -6.847 3.924 -0.331 1.00 0.00 O ATOM 588 CB SER A 38 -7.407 7.243 0.228 1.00 0.00 C ATOM 589 OG SER A 38 -7.376 8.547 -0.327 1.00 0.00 O ATOM 0 H SER A 38 -7.972 5.804 -1.960 1.00 0.00 H new ATOM 0 HA SER A 38 -5.500 6.724 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.429 6.864 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.091 7.281 1.271 1.00 0.00 H new ATOM 0 HG SER A 38 -7.966 9.136 0.188 1.00 0.00 H new ATOM 595 N SER A 39 -5.813 4.977 1.368 1.00 0.00 N ATOM 596 CA SER A 39 -5.653 3.766 2.165 1.00 0.00 C ATOM 597 C SER A 39 -7.004 3.255 2.656 1.00 0.00 C ATOM 598 O SER A 39 -7.210 2.051 2.802 1.00 0.00 O ATOM 599 CB SER A 39 -4.732 4.033 3.358 1.00 0.00 C ATOM 600 OG SER A 39 -5.250 5.064 4.181 1.00 0.00 O ATOM 0 H SER A 39 -5.440 5.821 1.803 1.00 0.00 H new ATOM 0 HA SER A 39 -5.204 3.001 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.615 3.121 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.741 4.312 3.001 1.00 0.00 H new ATOM 0 HG SER A 39 -5.610 4.675 5.005 1.00 0.00 H new ATOM 606 N GLY A 40 -7.924 4.182 2.908 1.00 0.00 N ATOM 607 CA GLY A 40 -9.244 3.808 3.380 1.00 0.00 C ATOM 608 C GLY A 40 -10.017 2.998 2.357 1.00 0.00 C ATOM 609 O GLY A 40 -10.299 1.819 2.573 1.00 0.00 O ATOM 0 H GLY A 40 -7.778 5.185 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.148 3.230 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.807 4.708 3.627 1.00 0.00 H new ATOM 613 N ASP A 41 -10.361 3.631 1.241 1.00 0.00 N ATOM 614 CA ASP A 41 -11.107 2.963 0.182 1.00 0.00 C ATOM 615 C ASP A 41 -10.680 1.504 0.054 1.00 0.00 C ATOM 616 O ASP A 41 -11.516 0.612 -0.086 1.00 0.00 O ATOM 617 CB ASP A 41 -10.902 3.686 -1.150 1.00 0.00 C ATOM 618 CG ASP A 41 -11.183 5.172 -1.052 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.574 5.835 -0.185 1.00 0.00 O ATOM 620 OD2 ASP A 41 -12.010 5.673 -1.841 1.00 0.00 O ATOM 0 H ASP A 41 -10.135 4.606 1.047 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.165 2.992 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.877 3.535 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.554 3.245 -1.904 1.00 0.00 H new ATOM 625 N MET A 42 -9.373 1.269 0.101 1.00 0.00 N ATOM 626 CA MET A 42 -8.835 -0.082 -0.009 1.00 0.00 C ATOM 627 C MET A 42 -9.585 -1.042 0.909 1.00 0.00 C ATOM 628 O MET A 42 -9.978 -2.132 0.493 1.00 0.00 O ATOM 629 CB MET A 42 -7.344 -0.090 0.334 1.00 0.00 C ATOM 630 CG MET A 42 -6.471 0.551 -0.733 1.00 0.00 C ATOM 631 SD MET A 42 -6.752 -0.148 -2.371 1.00 0.00 S ATOM 632 CE MET A 42 -5.675 -1.578 -2.318 1.00 0.00 C ATOM 0 H MET A 42 -8.667 1.996 0.214 1.00 0.00 H new ATOM 0 HA MET A 42 -8.965 -0.415 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.194 0.434 1.278 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.020 -1.120 0.486 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.666 1.623 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.422 0.425 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.725 -2.106 -3.270 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.650 -1.255 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.994 -2.244 -1.516 1.00 0.00 H new ATOM 642 N MET A 43 -9.778 -0.631 2.157 1.00 0.00 N ATOM 643 CA MET A 43 -10.482 -1.455 3.133 1.00 0.00 C ATOM 644 C MET A 43 -11.830 -1.915 2.585 1.00 0.00 C ATOM 645 O MET A 43 -12.276 -3.028 2.862 1.00 0.00 O ATOM 646 CB MET A 43 -10.686 -0.680 4.436 1.00 0.00 C ATOM 647 CG MET A 43 -9.390 -0.192 5.062 1.00 0.00 C ATOM 648 SD MET A 43 -8.368 -1.541 5.685 1.00 0.00 S ATOM 649 CE MET A 43 -9.237 -1.952 7.197 1.00 0.00 C ATOM 0 H MET A 43 -9.457 0.268 2.517 1.00 0.00 H new ATOM 0 HA MET A 43 -9.872 -2.335 3.335 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.331 0.177 4.242 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.208 -1.317 5.150 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.825 0.375 4.322 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.621 0.491 5.879 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.725 -2.773 7.699 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.258 -1.082 7.853 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.258 -2.252 6.960 1.00 0.00 H new ATOM 659 N ARG A 44 -12.473 -1.051 1.807 1.00 0.00 N ATOM 660 CA ARG A 44 -13.770 -1.368 1.222 1.00 0.00 C ATOM 661 C ARG A 44 -13.605 -2.187 -0.055 1.00 0.00 C ATOM 662 O ARG A 44 -14.290 -3.190 -0.253 1.00 0.00 O ATOM 663 CB ARG A 44 -14.545 -0.084 0.920 1.00 0.00 C ATOM 664 CG ARG A 44 -15.070 0.617 2.162 1.00 0.00 C ATOM 665 CD ARG A 44 -14.080 1.648 2.681 1.00 0.00 C ATOM 666 NE ARG A 44 -14.327 2.974 2.120 1.00 0.00 N ATOM 667 CZ ARG A 44 -15.201 3.835 2.627 1.00 0.00 C ATOM 668 NH1 ARG A 44 -15.908 3.513 3.701 1.00 0.00 N ATOM 669 NH2 ARG A 44 -15.369 5.023 2.060 1.00 0.00 N ATOM 0 H ARG A 44 -12.117 -0.126 1.567 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.331 -1.961 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.897 0.601 0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.384 -0.321 0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.018 1.104 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.270 -0.120 2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.143 1.697 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.066 1.333 2.435 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.799 3.254 1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.781 2.601 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.579 4.177 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.826 5.275 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.041 5.684 2.450 1.00 0.00 H new ATOM 683 N GLU A 45 -12.691 -1.752 -0.917 1.00 0.00 N ATOM 684 CA GLU A 45 -12.438 -2.445 -2.175 1.00 0.00 C ATOM 685 C GLU A 45 -12.065 -3.904 -1.927 1.00 0.00 C ATOM 686 O GLU A 45 -12.516 -4.800 -2.640 1.00 0.00 O ATOM 687 CB GLU A 45 -11.320 -1.746 -2.951 1.00 0.00 C ATOM 688 CG GLU A 45 -11.295 -2.097 -4.430 1.00 0.00 C ATOM 689 CD GLU A 45 -12.670 -2.046 -5.065 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.379 -3.074 -5.027 1.00 0.00 O ATOM 691 OE2 GLU A 45 -13.038 -0.980 -5.601 1.00 0.00 O ATOM 0 H GLU A 45 -12.114 -0.924 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.353 -2.418 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.434 -0.667 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.360 -2.011 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.632 -1.407 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.878 -3.096 -4.555 1.00 0.00 H new ATOM 698 N ILE A 46 -11.238 -4.132 -0.912 1.00 0.00 N ATOM 699 CA ILE A 46 -10.805 -5.481 -0.569 1.00 0.00 C ATOM 700 C ILE A 46 -11.996 -6.374 -0.237 1.00 0.00 C ATOM 701 O ILE A 46 -12.199 -7.414 -0.864 1.00 0.00 O ATOM 702 CB ILE A 46 -9.834 -5.474 0.626 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.616 -4.602 0.317 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.404 -6.893 0.968 1.00 0.00 C ATOM 705 CD1 ILE A 46 -8.030 -3.927 1.537 1.00 0.00 C ATOM 0 H ILE A 46 -10.855 -3.401 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.289 -5.878 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.348 -5.053 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.848 -5.218 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.900 -3.840 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.718 -6.871 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.281 -7.487 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.905 -7.339 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.170 -3.326 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.783 -3.284 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.714 -4.684 2.255 1.00 0.00 H new ATOM 717 N ARG A 47 -12.782 -5.959 0.751 1.00 0.00 N ATOM 718 CA ARG A 47 -13.953 -6.721 1.166 1.00 0.00 C ATOM 719 C ARG A 47 -14.713 -7.253 -0.046 1.00 0.00 C ATOM 720 O ARG A 47 -15.014 -8.444 -0.130 1.00 0.00 O ATOM 721 CB ARG A 47 -14.878 -5.850 2.019 1.00 0.00 C ATOM 722 CG ARG A 47 -14.249 -5.390 3.324 1.00 0.00 C ATOM 723 CD ARG A 47 -14.846 -4.074 3.797 1.00 0.00 C ATOM 724 NE ARG A 47 -16.024 -4.278 4.636 1.00 0.00 N ATOM 725 CZ ARG A 47 -15.967 -4.475 5.948 1.00 0.00 C ATOM 726 NH1 ARG A 47 -14.796 -4.495 6.568 1.00 0.00 N ATOM 727 NH2 ARG A 47 -17.084 -4.653 6.643 1.00 0.00 N ATOM 0 H ARG A 47 -12.629 -5.100 1.279 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.612 -7.569 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.175 -4.975 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.787 -6.409 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.396 -6.153 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.173 -5.276 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.095 -3.515 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.117 -3.467 2.933 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.941 -4.269 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.936 -4.359 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.755 -4.646 7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.987 -4.639 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.039 -4.804 7.651 1.00 0.00 H new ATOM 741 N LYS A 48 -15.021 -6.362 -0.982 1.00 0.00 N ATOM 742 CA LYS A 48 -15.745 -6.741 -2.190 1.00 0.00 C ATOM 743 C LYS A 48 -15.237 -8.072 -2.734 1.00 0.00 C ATOM 744 O LYS A 48 -15.999 -9.028 -2.876 1.00 0.00 O ATOM 745 CB LYS A 48 -15.601 -5.653 -3.257 1.00 0.00 C ATOM 746 CG LYS A 48 -16.062 -6.091 -4.637 1.00 0.00 C ATOM 747 CD LYS A 48 -17.577 -6.068 -4.753 1.00 0.00 C ATOM 748 CE LYS A 48 -18.186 -7.405 -4.359 1.00 0.00 C ATOM 749 NZ LYS A 48 -19.648 -7.294 -4.102 1.00 0.00 N ATOM 0 H LYS A 48 -14.781 -5.372 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.798 -6.853 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.175 -4.778 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.557 -5.346 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.629 -5.435 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.696 -7.097 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.980 -5.281 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.861 -5.825 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.011 -8.132 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.688 -7.782 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.026 -8.226 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.814 -6.620 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.127 -6.959 -4.962 1.00 0.00 H new ATOM 763 N VAL A 49 -13.944 -8.128 -3.037 1.00 0.00 N ATOM 764 CA VAL A 49 -13.333 -9.343 -3.563 1.00 0.00 C ATOM 765 C VAL A 49 -13.556 -10.522 -2.622 1.00 0.00 C ATOM 766 O VAL A 49 -13.940 -11.610 -3.052 1.00 0.00 O ATOM 767 CB VAL A 49 -11.821 -9.159 -3.788 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.220 -10.404 -4.422 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.556 -7.933 -4.649 1.00 0.00 C ATOM 0 H VAL A 49 -13.299 -7.346 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.812 -9.550 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.344 -9.006 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.151 -10.255 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.378 -11.259 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.700 -10.591 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.482 -7.818 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.045 -8.054 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.950 -7.047 -4.151 1.00 0.00 H new ATOM 779 N LEU A 50 -13.313 -10.298 -1.335 1.00 0.00 N ATOM 780 CA LEU A 50 -13.487 -11.342 -0.331 1.00 0.00 C ATOM 781 C LEU A 50 -14.880 -11.957 -0.421 1.00 0.00 C ATOM 782 O LEU A 50 -15.027 -13.154 -0.661 1.00 0.00 O ATOM 783 CB LEU A 50 -13.258 -10.773 1.070 1.00 0.00 C ATOM 784 CG LEU A 50 -11.901 -10.111 1.312 1.00 0.00 C ATOM 785 CD1 LEU A 50 -11.839 -9.516 2.710 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.775 -11.114 1.107 1.00 0.00 C ATOM 0 H LEU A 50 -12.995 -9.403 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.752 -12.123 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.039 -10.041 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.380 -11.580 1.793 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.778 -9.304 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.866 -9.049 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.623 -8.767 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.984 -10.305 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.816 -10.626 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.894 -11.943 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.807 -11.493 0.085 1.00 0.00 H new ATOM 798 N GLY A 51 -15.901 -11.127 -0.228 1.00 0.00 N ATOM 799 CA GLY A 51 -17.269 -11.607 -0.293 1.00 0.00 C ATOM 800 C GLY A 51 -17.571 -12.324 -1.594 1.00 0.00 C ATOM 801 O GLY A 51 -18.354 -13.272 -1.621 1.00 0.00 O ATOM 0 H GLY A 51 -15.805 -10.131 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.454 -12.283 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.952 -10.765 -0.179 1.00 0.00 H new ATOM 805 N ALA A 52 -16.948 -11.868 -2.677 1.00 0.00 N ATOM 806 CA ALA A 52 -17.154 -12.473 -3.987 1.00 0.00 C ATOM 807 C ALA A 52 -16.723 -13.936 -3.991 1.00 0.00 C ATOM 808 O ALA A 52 -17.413 -14.794 -4.539 1.00 0.00 O ATOM 809 CB ALA A 52 -16.396 -11.695 -5.052 1.00 0.00 C ATOM 0 H ALA A 52 -16.297 -11.082 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.220 -12.435 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.559 -12.158 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.754 -10.666 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.331 -11.703 -4.820 1.00 0.00 H new ATOM 815 N ASN A 53 -15.578 -14.212 -3.375 1.00 0.00 N ATOM 816 CA ASN A 53 -15.055 -15.572 -3.309 1.00 0.00 C ATOM 817 C ASN A 53 -15.513 -16.269 -2.032 1.00 0.00 C ATOM 818 O ASN A 53 -14.771 -17.050 -1.439 1.00 0.00 O ATOM 819 CB ASN A 53 -13.526 -15.556 -3.374 1.00 0.00 C ATOM 820 CG ASN A 53 -13.009 -15.506 -4.799 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.407 -16.463 -5.287 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.242 -14.386 -5.474 1.00 0.00 N ATOM 0 H ASN A 53 -14.995 -13.513 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.443 -16.126 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.151 -14.693 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.135 -16.445 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.918 -14.294 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.745 -13.618 -5.030 1.00 0.00 H new ATOM 829 N ASN A 54 -16.742 -15.981 -1.615 1.00 0.00 N ATOM 830 CA ASN A 54 -17.300 -16.581 -0.408 1.00 0.00 C ATOM 831 C ASN A 54 -16.280 -16.570 0.726 1.00 0.00 C ATOM 832 O ASN A 54 -16.159 -17.540 1.475 1.00 0.00 O ATOM 833 CB ASN A 54 -17.752 -18.015 -0.689 1.00 0.00 C ATOM 834 CG ASN A 54 -19.171 -18.080 -1.219 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.056 -17.366 -0.747 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.395 -18.941 -2.206 1.00 0.00 N ATOM 0 H ASN A 54 -17.370 -15.336 -2.095 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.163 -15.989 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.076 -18.471 -1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.682 -18.601 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.330 -19.030 -2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.632 -19.513 -2.567 1.00 0.00 H new ATOM 843 N CYS A 55 -15.549 -15.467 0.846 1.00 0.00 N ATOM 844 CA CYS A 55 -14.538 -15.330 1.889 1.00 0.00 C ATOM 845 C CYS A 55 -15.002 -14.360 2.971 1.00 0.00 C ATOM 846 O CYS A 55 -15.410 -13.236 2.678 1.00 0.00 O ATOM 847 CB CYS A 55 -13.217 -14.848 1.288 1.00 0.00 C ATOM 848 SG CYS A 55 -12.298 -16.130 0.403 1.00 0.00 S ATOM 0 H CYS A 55 -15.637 -14.655 0.235 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.386 -16.309 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.420 -14.024 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.590 -14.452 2.087 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.082 -16.710 -0.457 1.00 0.00 H new ATOM 854 N ASP A 56 -14.938 -14.802 4.222 1.00 0.00 N ATOM 855 CA ASP A 56 -15.352 -13.974 5.348 1.00 0.00 C ATOM 856 C ASP A 56 -14.210 -13.075 5.810 1.00 0.00 C ATOM 857 O ASP A 56 -13.039 -13.441 5.710 1.00 0.00 O ATOM 858 CB ASP A 56 -15.828 -14.851 6.507 1.00 0.00 C ATOM 859 CG ASP A 56 -16.163 -14.044 7.745 1.00 0.00 C ATOM 860 OD1 ASP A 56 -16.684 -12.919 7.597 1.00 0.00 O ATOM 861 OD2 ASP A 56 -15.904 -14.536 8.864 1.00 0.00 O ATOM 0 H ASP A 56 -14.603 -15.730 4.482 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.177 -13.343 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.708 -15.414 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.054 -15.579 6.750 1.00 0.00 H new ATOM 866 N TYR A 57 -14.558 -11.897 6.316 1.00 0.00 N ATOM 867 CA TYR A 57 -13.562 -10.944 6.791 1.00 0.00 C ATOM 868 C TYR A 57 -14.032 -10.255 8.068 1.00 0.00 C ATOM 869 O TYR A 57 -15.199 -9.885 8.193 1.00 0.00 O ATOM 870 CB TYR A 57 -13.271 -9.899 5.712 1.00 0.00 C ATOM 871 CG TYR A 57 -14.514 -9.358 5.042 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.197 -10.106 4.092 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.006 -8.098 5.361 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.332 -9.615 3.477 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.142 -7.600 4.753 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.801 -8.362 3.811 1.00 0.00 C ATOM 877 OH TYR A 57 -17.932 -7.870 3.201 1.00 0.00 O ATOM 0 H TYR A 57 -15.523 -11.579 6.408 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.647 -11.494 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.720 -9.072 6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.624 -10.341 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.834 -11.089 3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.491 -7.498 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.849 -10.209 2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.512 -6.619 5.014 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.129 -6.975 3.549 1.00 0.00 H new ATOM 887 N GLU A 58 -13.113 -10.087 9.014 1.00 0.00 N ATOM 888 CA GLU A 58 -13.433 -9.443 10.283 1.00 0.00 C ATOM 889 C GLU A 58 -12.433 -8.334 10.598 1.00 0.00 C ATOM 890 O GLU A 58 -11.270 -8.601 10.896 1.00 0.00 O ATOM 891 CB GLU A 58 -13.443 -10.472 11.415 1.00 0.00 C ATOM 892 CG GLU A 58 -13.750 -9.875 12.778 1.00 0.00 C ATOM 893 CD GLU A 58 -15.232 -9.634 12.989 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.905 -9.201 12.031 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.718 -9.880 14.113 1.00 0.00 O ATOM 0 H GLU A 58 -12.142 -10.387 8.926 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.425 -9.000 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.182 -11.240 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.472 -10.966 11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.380 -10.544 13.555 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.213 -8.933 12.887 1.00 0.00 H new ATOM 902 N GLN A 59 -12.897 -7.090 10.528 1.00 0.00 N ATOM 903 CA GLN A 59 -12.043 -5.941 10.804 1.00 0.00 C ATOM 904 C GLN A 59 -11.684 -5.873 12.285 1.00 0.00 C ATOM 905 O GLN A 59 -12.560 -5.753 13.141 1.00 0.00 O ATOM 906 CB GLN A 59 -12.738 -4.648 10.375 1.00 0.00 C ATOM 907 CG GLN A 59 -11.776 -3.559 9.928 1.00 0.00 C ATOM 908 CD GLN A 59 -12.306 -2.165 10.199 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.516 -1.953 10.285 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.400 -1.203 10.335 1.00 0.00 N ATOM 0 H GLN A 59 -13.858 -6.853 10.283 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.123 -6.058 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.427 -4.869 9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.336 -4.274 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.823 -3.688 10.442 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.580 -3.668 8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.407 -1.423 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.697 -0.245 10.518 1.00 0.00 H new ATOM 919 N ARG A 60 -10.390 -5.950 12.579 1.00 0.00 N ATOM 920 CA ARG A 60 -9.915 -5.898 13.956 1.00 0.00 C ATOM 921 C ARG A 60 -9.467 -4.487 14.325 1.00 0.00 C ATOM 922 O ARG A 60 -9.799 -3.980 15.396 1.00 0.00 O ATOM 923 CB ARG A 60 -8.760 -6.881 14.157 1.00 0.00 C ATOM 924 CG ARG A 60 -9.148 -8.333 13.930 1.00 0.00 C ATOM 925 CD ARG A 60 -9.883 -8.907 15.131 1.00 0.00 C ATOM 926 NE ARG A 60 -9.822 -10.366 15.163 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.654 -11.121 15.873 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.604 -10.557 16.605 1.00 0.00 N ATOM 929 NH2 ARG A 60 -10.535 -12.442 15.851 1.00 0.00 N ATOM 0 H ARG A 60 -9.652 -6.049 11.882 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.741 -6.180 14.609 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.950 -6.620 13.476 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.373 -6.771 15.170 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.780 -8.408 13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.253 -8.923 13.733 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.450 -8.506 16.047 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.925 -8.588 15.105 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.102 -10.831 14.610 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.698 -9.542 16.624 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.241 -11.138 17.149 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.805 -12.879 15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.174 -13.021 16.396 1.00 0.00 H new ATOM 943 N GLU A 61 -8.711 -3.859 13.429 1.00 0.00 N ATOM 944 CA GLU A 61 -8.217 -2.507 13.662 1.00 0.00 C ATOM 945 C GLU A 61 -8.678 -1.562 12.557 1.00 0.00 C ATOM 946 O GLU A 61 -9.339 -1.978 11.605 1.00 0.00 O ATOM 947 CB GLU A 61 -6.689 -2.506 13.744 1.00 0.00 C ATOM 948 CG GLU A 61 -6.140 -3.356 14.878 1.00 0.00 C ATOM 949 CD GLU A 61 -6.691 -2.951 16.231 1.00 0.00 C ATOM 950 OE1 GLU A 61 -6.104 -2.051 16.866 1.00 0.00 O ATOM 951 OE2 GLU A 61 -7.711 -3.535 16.654 1.00 0.00 O ATOM 0 H GLU A 61 -8.428 -4.264 12.537 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.625 -2.157 14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.283 -2.868 12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.341 -1.481 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.380 -4.403 14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.053 -3.276 14.894 1.00 0.00 H new ATOM 958 N ARG A 62 -8.325 -0.288 12.690 1.00 0.00 N ATOM 959 CA ARG A 62 -8.704 0.718 11.705 1.00 0.00 C ATOM 960 C ARG A 62 -8.157 0.360 10.326 1.00 0.00 C ATOM 961 O ARG A 62 -8.846 0.508 9.316 1.00 0.00 O ATOM 962 CB ARG A 62 -8.190 2.096 12.127 1.00 0.00 C ATOM 963 CG ARG A 62 -6.675 2.177 12.226 1.00 0.00 C ATOM 964 CD ARG A 62 -6.208 3.606 12.450 1.00 0.00 C ATOM 965 NE ARG A 62 -6.190 3.961 13.867 1.00 0.00 N ATOM 966 CZ ARG A 62 -5.545 5.015 14.353 1.00 0.00 C ATOM 967 NH1 ARG A 62 -4.867 5.814 13.540 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.576 5.272 15.654 1.00 0.00 N ATOM 0 H ARG A 62 -7.777 0.072 13.471 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.792 0.745 11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.539 2.840 11.411 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.623 2.356 13.093 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.328 1.547 13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.228 1.786 11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.209 3.730 12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.865 4.290 11.913 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.701 3.366 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.840 5.619 12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.372 6.623 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.096 4.660 16.283 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.080 6.082 16.026 1.00 0.00 H new ATOM 982 N PHE A 63 -6.915 -0.111 10.291 1.00 0.00 N ATOM 983 CA PHE A 63 -6.275 -0.488 9.036 1.00 0.00 C ATOM 984 C PHE A 63 -5.886 -1.963 9.046 1.00 0.00 C ATOM 985 O PHE A 63 -4.798 -2.333 8.602 1.00 0.00 O ATOM 986 CB PHE A 63 -5.037 0.376 8.790 1.00 0.00 C ATOM 987 CG PHE A 63 -5.358 1.814 8.496 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.149 2.153 7.411 1.00 0.00 C ATOM 989 CD2 PHE A 63 -4.869 2.826 9.306 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.445 3.475 7.137 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.162 4.150 9.038 1.00 0.00 C ATOM 992 CZ PHE A 63 -5.952 4.475 7.953 1.00 0.00 C ATOM 0 H PHE A 63 -6.331 -0.241 11.117 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.989 -0.324 8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.391 0.328 9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.473 -0.040 7.955 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.539 1.375 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.252 2.578 10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.061 3.726 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.773 4.930 9.677 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.184 5.509 7.743 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.781 -2.802 9.557 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.532 -4.237 9.627 1.00 0.00 C ATOM 1004 C LEU A 64 -7.814 -5.025 9.376 1.00 0.00 C ATOM 1005 O LEU A 64 -8.903 -4.598 9.761 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.950 -4.609 10.992 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.352 -6.011 11.108 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -3.958 -6.049 10.500 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.314 -6.456 12.562 1.00 0.00 C ATOM 0 H LEU A 64 -7.686 -2.513 9.929 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.811 -4.493 8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.176 -3.884 11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.737 -4.509 11.740 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.987 -6.703 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.548 -7.055 10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.013 -5.774 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.313 -5.345 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.885 -7.456 12.625 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.703 -5.762 13.139 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.327 -6.469 12.965 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.677 -6.178 8.731 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.824 -7.028 8.431 1.00 0.00 C ATOM 1023 C LEU A 65 -8.433 -8.502 8.461 1.00 0.00 C ATOM 1024 O LEU A 65 -7.412 -8.895 7.897 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.404 -6.670 7.061 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.340 -5.462 7.023 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.262 -4.768 5.673 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.770 -5.885 7.325 1.00 0.00 C ATOM 0 H LEU A 65 -6.783 -6.546 8.406 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.582 -6.857 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.577 -6.485 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.946 -7.536 6.681 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.021 -4.756 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.935 -3.911 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.241 -4.429 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.554 -5.466 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.422 -5.012 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.099 -6.611 6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.814 -6.336 8.317 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.253 -9.313 9.121 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.993 -10.744 9.224 1.00 0.00 C ATOM 1042 C PHE A 66 -9.677 -11.503 8.091 1.00 0.00 C ATOM 1043 O PHE A 66 -10.848 -11.869 8.193 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.477 -11.276 10.574 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.945 -12.641 10.907 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.599 -13.780 10.467 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -7.790 -12.784 11.659 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -9.112 -15.037 10.771 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.298 -14.039 11.965 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.960 -15.167 11.522 1.00 0.00 C ATOM 0 H PHE A 66 -10.103 -9.004 9.592 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.917 -10.899 9.145 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.181 -10.578 11.358 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.566 -11.310 10.573 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.500 -13.685 9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.269 -11.906 12.010 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.632 -15.917 10.422 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.396 -14.137 12.551 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.578 -16.148 11.762 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.937 -11.736 7.012 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.472 -12.451 5.858 1.00 0.00 C ATOM 1062 C CYS A 67 -9.314 -13.958 6.031 1.00 0.00 C ATOM 1063 O CYS A 67 -8.281 -14.434 6.503 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.768 -11.995 4.579 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.933 -10.227 4.235 1.00 0.00 S ATOM 0 H CYS A 67 -7.966 -11.441 6.912 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.535 -12.223 5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.709 -12.243 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.169 -12.557 3.736 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.050 -9.873 3.349 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.345 -14.704 5.647 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.321 -16.157 5.760 1.00 0.00 C ATOM 1073 C VAL A 68 -11.046 -16.811 4.589 1.00 0.00 C ATOM 1074 O VAL A 68 -12.059 -16.302 4.109 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.966 -16.629 7.077 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.448 -16.289 7.097 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.750 -18.122 7.270 1.00 0.00 C ATOM 0 H VAL A 68 -11.207 -14.326 5.255 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.273 -16.458 5.749 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.487 -16.106 7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.887 -16.630 8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.575 -15.210 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.946 -16.783 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.212 -18.439 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.202 -18.665 6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.681 -18.334 7.303 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.520 -17.944 4.133 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.118 -18.670 3.018 1.00 0.00 C ATOM 1089 C HIS A 69 -11.375 -20.126 3.393 1.00 0.00 C ATOM 1090 O HIS A 69 -10.443 -20.920 3.513 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.210 -18.599 1.790 1.00 0.00 C ATOM 1092 CG HIS A 69 -10.663 -19.470 0.659 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -9.938 -20.552 0.206 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -11.775 -19.415 -0.110 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -10.584 -21.124 -0.794 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -11.702 -20.454 -1.006 1.00 0.00 N ATOM 0 H HIS A 69 -9.682 -18.379 4.518 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.073 -18.201 2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.160 -17.566 1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.199 -18.888 2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.571 -18.690 -0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.254 -21.992 -1.345 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.398 -20.672 -1.719 1.00 0.00 H new ATOM 1105 N GLY A 70 -12.646 -20.470 3.576 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.002 -21.830 3.937 1.00 0.00 C ATOM 1107 C GLY A 70 -13.915 -22.480 2.916 1.00 0.00 C ATOM 1108 O GLY A 70 -15.139 -22.407 3.033 1.00 0.00 O ATOM 0 H GLY A 70 -13.436 -19.831 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.094 -22.425 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.493 -21.828 4.910 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.321 -23.115 1.912 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.089 -23.780 0.866 1.00 0.00 C ATOM 1114 C ASP A 71 -15.259 -24.557 1.462 1.00 0.00 C ATOM 1115 O ASP A 71 -16.317 -24.674 0.846 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.190 -24.723 0.065 1.00 0.00 C ATOM 1117 CG ASP A 71 -12.073 -23.989 -0.650 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -12.331 -23.429 -1.736 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -10.940 -23.976 -0.125 1.00 0.00 O ATOM 0 H ASP A 71 -12.309 -23.183 1.800 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.486 -23.015 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.761 -25.468 0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.793 -25.262 -0.666 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.060 -25.088 2.665 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.106 -25.848 3.323 1.00 0.00 C ATOM 1126 C GLY A 72 -15.682 -26.359 4.686 1.00 0.00 C ATOM 1127 O GLY A 72 -16.494 -26.435 5.608 1.00 0.00 O ATOM 0 H GLY A 72 -14.193 -25.005 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.992 -25.222 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.388 -26.692 2.694 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.407 -26.711 4.813 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.876 -27.218 6.074 1.00 0.00 C ATOM 1133 C HIS A 73 -12.416 -26.814 6.251 1.00 0.00 C ATOM 1134 O HIS A 73 -11.840 -26.141 5.396 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.006 -28.741 6.130 1.00 0.00 C ATOM 1136 CG HIS A 73 -15.296 -29.210 6.730 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.423 -29.566 8.056 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -16.520 -29.379 6.178 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -16.669 -29.936 8.293 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -17.355 -29.831 7.169 1.00 0.00 N ATOM 0 H HIS A 73 -13.722 -26.655 4.059 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.456 -26.780 6.886 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.917 -29.142 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.177 -29.147 6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.790 -29.193 5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -17.060 -30.268 9.244 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -18.345 -30.050 7.056 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.823 -27.228 7.366 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.430 -26.910 7.654 1.00 0.00 C ATOM 1151 C ALA A 74 -9.501 -27.513 6.606 1.00 0.00 C ATOM 1152 O ALA A 74 -8.462 -26.939 6.281 1.00 0.00 O ATOM 1153 CB ALA A 74 -10.053 -27.403 9.043 1.00 0.00 C ATOM 0 H ALA A 74 -12.286 -27.784 8.085 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.316 -25.826 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.010 -27.159 9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.689 -26.921 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.190 -28.483 9.095 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.882 -28.673 6.081 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.081 -29.354 5.070 1.00 0.00 C ATOM 1161 C GLU A 75 -8.547 -28.362 4.041 1.00 0.00 C ATOM 1162 O GLU A 75 -7.374 -28.404 3.674 1.00 0.00 O ATOM 1163 CB GLU A 75 -9.911 -30.434 4.372 1.00 0.00 C ATOM 1164 CG GLU A 75 -10.355 -31.553 5.298 1.00 0.00 C ATOM 1165 CD GLU A 75 -9.196 -32.397 5.792 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -8.414 -31.899 6.629 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -9.072 -33.555 5.342 1.00 0.00 O ATOM 0 H GLU A 75 -10.740 -29.161 6.339 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.234 -29.824 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.792 -29.972 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.326 -30.859 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.878 -31.125 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.067 -32.191 4.775 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.419 -27.471 3.579 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.036 -26.469 2.591 1.00 0.00 C ATOM 1176 C ASN A 76 -9.310 -25.061 3.109 1.00 0.00 C ATOM 1177 O ASN A 76 -9.784 -24.197 2.371 1.00 0.00 O ATOM 1178 CB ASN A 76 -9.793 -26.699 1.281 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.156 -27.326 1.503 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -11.503 -28.323 0.871 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -11.935 -26.741 2.405 1.00 0.00 N ATOM 0 H ASN A 76 -10.395 -27.423 3.873 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.966 -26.567 2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.914 -25.748 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.201 -27.343 0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.863 -27.117 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.605 -25.916 2.905 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.010 -24.837 4.384 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.223 -23.533 5.002 1.00 0.00 C ATOM 1190 C LEU A 77 -7.917 -22.750 5.087 1.00 0.00 C ATOM 1191 O LEU A 77 -6.843 -23.330 5.249 1.00 0.00 O ATOM 1192 CB LEU A 77 -9.821 -23.702 6.400 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.012 -22.418 7.208 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -11.305 -21.723 6.809 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.005 -22.720 8.699 1.00 0.00 C ATOM 0 H LEU A 77 -8.619 -25.541 5.010 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.921 -22.973 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.789 -24.193 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.179 -24.374 6.969 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.181 -21.747 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.424 -20.811 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.271 -21.472 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.148 -22.387 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.142 -21.795 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.816 -23.410 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.052 -23.172 8.974 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.017 -21.429 4.979 1.00 0.00 N ATOM 1208 CA VAL A 78 -6.844 -20.566 5.046 1.00 0.00 C ATOM 1209 C VAL A 78 -7.173 -19.243 5.729 1.00 0.00 C ATOM 1210 O VAL A 78 -8.106 -18.545 5.334 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.277 -20.279 3.643 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.153 -19.256 3.720 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -5.794 -21.565 2.991 1.00 0.00 C ATOM 0 H VAL A 78 -8.898 -20.933 4.845 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.094 -21.097 5.631 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.073 -19.863 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.765 -19.066 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.535 -18.327 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.353 -19.641 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.397 -21.344 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.012 -22.012 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.627 -22.262 2.900 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.401 -18.906 6.757 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.611 -17.666 7.496 1.00 0.00 C ATOM 1225 C GLN A 79 -5.445 -16.706 7.291 1.00 0.00 C ATOM 1226 O GLN A 79 -4.282 -17.092 7.409 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.789 -17.960 8.986 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.078 -18.699 9.311 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.010 -19.437 10.633 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.558 -18.891 11.640 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.461 -20.686 10.638 1.00 0.00 N ATOM 0 H GLN A 79 -5.625 -19.474 7.097 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.517 -17.195 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.943 -18.552 9.335 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.770 -17.020 9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.903 -17.987 9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.296 -19.409 8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.827 -21.099 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.441 -21.232 11.499 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.763 -15.454 6.983 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.741 -14.438 6.761 1.00 0.00 C ATOM 1242 C TRP A 80 -5.284 -13.044 7.058 1.00 0.00 C ATOM 1243 O TRP A 80 -6.448 -12.752 6.784 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.232 -14.503 5.320 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.165 -13.874 4.331 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.122 -12.590 3.865 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.281 -14.499 3.687 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.144 -12.380 2.971 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.869 -13.536 2.844 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.839 -15.779 3.739 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -7.987 -13.815 2.062 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.949 -16.054 2.963 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.512 -15.076 2.133 1.00 0.00 C ATOM 0 H TRP A 80 -6.721 -15.118 6.881 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.913 -14.638 7.441 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.264 -14.006 5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.072 -15.546 5.045 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.392 -11.849 4.157 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.333 -11.505 2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.410 -16.540 4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.424 -13.063 1.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.390 -17.039 2.997 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.378 -15.323 1.537 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.435 -12.189 7.618 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.833 -10.827 7.952 1.00 0.00 C ATOM 1266 C GLU A 81 -4.205 -9.825 6.987 1.00 0.00 C ATOM 1267 O GLU A 81 -2.983 -9.706 6.907 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.426 -10.491 9.389 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.228 -11.241 10.439 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.878 -10.818 11.853 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -5.269 -9.701 12.251 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.212 -11.603 12.560 1.00 0.00 O ATOM 0 H GLU A 81 -3.468 -12.415 7.850 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.917 -10.760 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.368 -10.718 9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.544 -9.419 9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.291 -11.074 10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.052 -12.311 10.330 1.00 0.00 H new ATOM 1279 N MET A 82 -5.052 -9.107 6.257 1.00 0.00 N ATOM 1280 CA MET A 82 -4.581 -8.114 5.297 1.00 0.00 C ATOM 1281 C MET A 82 -4.537 -6.726 5.928 1.00 0.00 C ATOM 1282 O MET A 82 -5.575 -6.138 6.227 1.00 0.00 O ATOM 1283 CB MET A 82 -5.485 -8.098 4.063 1.00 0.00 C ATOM 1284 CG MET A 82 -5.084 -9.112 3.003 1.00 0.00 C ATOM 1285 SD MET A 82 -6.254 -9.183 1.633 1.00 0.00 S ATOM 1286 CE MET A 82 -5.814 -7.698 0.734 1.00 0.00 C ATOM 0 H MET A 82 -6.067 -9.194 6.311 1.00 0.00 H new ATOM 0 HA MET A 82 -3.570 -8.388 4.994 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.512 -8.294 4.372 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.470 -7.100 3.624 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.096 -8.859 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.005 -10.098 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.715 -7.238 0.329 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.320 -6.998 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.138 -7.954 -0.082 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.328 -6.210 6.128 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.151 -4.891 6.724 1.00 0.00 C ATOM 1298 C GLU A 83 -2.726 -3.871 5.672 1.00 0.00 C ATOM 1299 O GLU A 83 -1.835 -4.130 4.864 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.110 -4.949 7.844 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.951 -3.639 8.596 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.709 -3.612 9.467 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.803 -4.015 10.645 1.00 0.00 O ATOM 1304 OE2 GLU A 83 0.355 -3.189 8.970 1.00 0.00 O ATOM 0 H GLU A 83 -2.458 -6.685 5.886 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.108 -4.578 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.391 -5.731 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.147 -5.233 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.907 -2.817 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.830 -3.473 9.218 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.372 -2.709 5.689 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.062 -1.648 4.738 1.00 0.00 C ATOM 1313 C VAL A 84 -2.065 -0.656 5.327 1.00 0.00 C ATOM 1314 O VAL A 84 -2.335 -0.020 6.347 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.332 -0.890 4.309 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.985 0.223 3.332 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.344 -1.849 3.701 1.00 0.00 C ATOM 0 H VAL A 84 -4.113 -2.479 6.351 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.621 -2.126 3.863 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.781 -0.437 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.895 0.748 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.299 0.924 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.512 -0.204 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.235 -1.297 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.908 -2.332 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.615 -2.606 4.437 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.913 -0.527 4.678 1.00 0.00 N ATOM 1328 CA CYS A 85 0.125 0.388 5.137 1.00 0.00 C ATOM 1329 C CYS A 85 0.739 1.146 3.965 1.00 0.00 C ATOM 1330 O CYS A 85 0.390 0.911 2.808 1.00 0.00 O ATOM 1331 CB CYS A 85 1.214 -0.379 5.890 1.00 0.00 C ATOM 1332 SG CYS A 85 2.135 -1.550 4.866 1.00 0.00 S ATOM 0 H CYS A 85 -0.675 -1.045 3.832 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.335 1.110 5.812 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.913 0.336 6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.756 -0.919 6.718 1.00 0.00 H new ATOM 0 HG CYS A 85 1.314 -2.175 4.076 1.00 0.00 H new ATOM 1338 N LYS A 86 1.655 2.059 4.272 1.00 0.00 N ATOM 1339 CA LYS A 86 2.319 2.853 3.244 1.00 0.00 C ATOM 1340 C LYS A 86 3.835 2.761 3.380 1.00 0.00 C ATOM 1341 O LYS A 86 4.372 2.788 4.488 1.00 0.00 O ATOM 1342 CB LYS A 86 1.876 4.315 3.336 1.00 0.00 C ATOM 1343 CG LYS A 86 2.558 5.221 2.326 1.00 0.00 C ATOM 1344 CD LYS A 86 2.124 4.899 0.906 1.00 0.00 C ATOM 1345 CE LYS A 86 0.737 5.449 0.608 1.00 0.00 C ATOM 1346 NZ LYS A 86 0.505 5.606 -0.855 1.00 0.00 N ATOM 0 H LYS A 86 1.954 2.267 5.225 1.00 0.00 H new ATOM 0 HA LYS A 86 2.035 2.453 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.797 4.369 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.081 4.686 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.323 6.261 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.639 5.113 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.842 5.318 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.127 3.819 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.016 4.781 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.615 6.414 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.424 6.046 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.248 6.209 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.529 4.672 -1.312 1.00 0.00 H new ATOM 1360 N LEU A 87 4.520 2.652 2.247 1.00 0.00 N ATOM 1361 CA LEU A 87 5.976 2.558 2.240 1.00 0.00 C ATOM 1362 C LEU A 87 6.554 3.153 0.959 1.00 0.00 C ATOM 1363 O LEU A 87 5.955 3.078 -0.114 1.00 0.00 O ATOM 1364 CB LEU A 87 6.413 1.099 2.380 1.00 0.00 C ATOM 1365 CG LEU A 87 5.614 0.078 1.568 1.00 0.00 C ATOM 1366 CD1 LEU A 87 6.439 -1.177 1.329 1.00 0.00 C ATOM 1367 CD2 LEU A 87 4.311 -0.264 2.276 1.00 0.00 C ATOM 0 H LEU A 87 4.091 2.627 1.322 1.00 0.00 H new ATOM 0 HA LEU A 87 6.356 3.128 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.461 1.025 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.354 0.822 3.433 1.00 0.00 H new ATOM 0 HG LEU A 87 5.373 0.519 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.854 -1.892 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.344 -0.918 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.711 -1.622 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.755 -0.992 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.530 -0.685 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.713 0.640 2.394 1.00 0.00 H new ATOM 1379 N PRO A 88 7.746 3.756 1.072 1.00 0.00 N ATOM 1380 CA PRO A 88 8.432 4.373 -0.067 1.00 0.00 C ATOM 1381 C PRO A 88 8.940 3.340 -1.066 1.00 0.00 C ATOM 1382 O PRO A 88 9.127 3.642 -2.245 1.00 0.00 O ATOM 1383 CB PRO A 88 9.606 5.110 0.583 1.00 0.00 C ATOM 1384 CG PRO A 88 9.859 4.375 1.854 1.00 0.00 C ATOM 1385 CD PRO A 88 8.517 3.882 2.321 1.00 0.00 C ATOM 0 HA PRO A 88 7.769 5.021 -0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.485 5.100 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.361 6.155 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.546 3.544 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.316 5.028 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.598 2.928 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.050 4.583 3.013 1.00 0.00 H new ATOM 1393 N ARG A 89 9.162 2.120 -0.588 1.00 0.00 N ATOM 1394 CA ARG A 89 9.649 1.042 -1.441 1.00 0.00 C ATOM 1395 C ARG A 89 9.003 1.107 -2.822 1.00 0.00 C ATOM 1396 O ARG A 89 9.693 1.197 -3.838 1.00 0.00 O ATOM 1397 CB ARG A 89 9.364 -0.316 -0.796 1.00 0.00 C ATOM 1398 CG ARG A 89 9.947 -0.461 0.600 1.00 0.00 C ATOM 1399 CD ARG A 89 9.936 -1.911 1.060 1.00 0.00 C ATOM 1400 NE ARG A 89 11.021 -2.683 0.460 1.00 0.00 N ATOM 1401 CZ ARG A 89 10.987 -4.002 0.307 1.00 0.00 C ATOM 1402 NH1 ARG A 89 9.927 -4.692 0.706 1.00 0.00 N ATOM 1403 NH2 ARG A 89 12.013 -4.633 -0.248 1.00 0.00 N ATOM 0 H ARG A 89 9.012 1.853 0.385 1.00 0.00 H new ATOM 0 HA ARG A 89 10.726 1.163 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.286 -0.467 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.768 -1.103 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.969 -0.083 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.375 0.148 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.022 -1.948 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.980 -2.367 0.801 1.00 0.00 H new ATOM 0 HE ARG A 89 11.850 -2.182 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.135 -4.210 1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.904 -5.705 0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.829 -4.105 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.986 -5.646 -0.365 1.00 0.00 H new ATOM 1417 N LEU A 90 7.676 1.059 -2.851 1.00 0.00 N ATOM 1418 CA LEU A 90 6.936 1.112 -4.107 1.00 0.00 C ATOM 1419 C LEU A 90 6.117 2.395 -4.203 1.00 0.00 C ATOM 1420 O LEU A 90 5.104 2.446 -4.901 1.00 0.00 O ATOM 1421 CB LEU A 90 6.017 -0.104 -4.232 1.00 0.00 C ATOM 1422 CG LEU A 90 6.629 -1.451 -3.844 1.00 0.00 C ATOM 1423 CD1 LEU A 90 5.538 -2.454 -3.502 1.00 0.00 C ATOM 1424 CD2 LEU A 90 7.509 -1.979 -4.967 1.00 0.00 C ATOM 0 H LEU A 90 7.090 0.983 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 90 7.656 1.101 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.137 0.065 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.671 -0.168 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 90 7.250 -1.306 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.992 -3.406 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.949 -2.079 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.890 -2.596 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.936 -2.938 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.910 -2.109 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.312 -1.269 -5.164 1.00 0.00 H new ATOM 1436 N SER A 91 6.563 3.430 -3.498 1.00 0.00 N ATOM 1437 CA SER A 91 5.870 4.713 -3.502 1.00 0.00 C ATOM 1438 C SER A 91 4.358 4.514 -3.544 1.00 0.00 C ATOM 1439 O SER A 91 3.627 5.332 -4.104 1.00 0.00 O ATOM 1440 CB SER A 91 6.318 5.555 -4.699 1.00 0.00 C ATOM 1441 OG SER A 91 5.577 5.224 -5.861 1.00 0.00 O ATOM 0 H SER A 91 7.401 3.405 -2.917 1.00 0.00 H new ATOM 0 HA SER A 91 6.125 5.238 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.190 6.613 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.380 5.395 -4.883 1.00 0.00 H new ATOM 0 HG SER A 91 4.647 5.513 -5.749 1.00 0.00 H new ATOM 1447 N LEU A 92 3.895 3.421 -2.947 1.00 0.00 N ATOM 1448 CA LEU A 92 2.469 3.113 -2.915 1.00 0.00 C ATOM 1449 C LEU A 92 2.119 2.287 -1.681 1.00 0.00 C ATOM 1450 O LEU A 92 2.999 1.878 -0.925 1.00 0.00 O ATOM 1451 CB LEU A 92 2.062 2.357 -4.181 1.00 0.00 C ATOM 1452 CG LEU A 92 1.961 3.193 -5.458 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.605 2.312 -6.645 1.00 0.00 C ATOM 1454 CD2 LEU A 92 0.934 4.303 -5.288 1.00 0.00 C ATOM 0 H LEU A 92 4.486 2.734 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 92 1.920 4.053 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.783 1.557 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.096 1.884 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 92 2.932 3.650 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.537 2.924 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.376 1.553 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.646 1.827 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.875 4.888 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.041 3.866 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.232 4.951 -4.463 1.00 0.00 H new ATOM 1466 N ASN A 93 0.827 2.043 -1.486 1.00 0.00 N ATOM 1467 CA ASN A 93 0.360 1.264 -0.345 1.00 0.00 C ATOM 1468 C ASN A 93 1.179 -0.014 -0.187 1.00 0.00 C ATOM 1469 O ASN A 93 2.014 -0.337 -1.031 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.121 0.916 -0.510 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.019 2.128 -0.356 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.907 2.364 -1.175 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -1.792 2.903 0.698 1.00 0.00 N ATOM 0 H ASN A 93 0.085 2.373 -2.103 1.00 0.00 H new ATOM 0 HA ASN A 93 0.487 1.869 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.280 0.472 -1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.400 0.164 0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.365 3.732 0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.045 2.669 1.352 1.00 0.00 H new ATOM 1480 N GLY A 94 0.933 -0.737 0.901 1.00 0.00 N ATOM 1481 CA GLY A 94 1.655 -1.971 1.150 1.00 0.00 C ATOM 1482 C GLY A 94 0.748 -3.088 1.627 1.00 0.00 C ATOM 1483 O GLY A 94 0.527 -3.249 2.827 1.00 0.00 O ATOM 0 H GLY A 94 0.247 -0.490 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.161 -2.283 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.428 -1.791 1.897 1.00 0.00 H new ATOM 1487 N VAL A 95 0.218 -3.861 0.684 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.672 -4.968 1.014 1.00 0.00 C ATOM 1489 C VAL A 95 0.097 -6.281 1.109 1.00 0.00 C ATOM 1490 O VAL A 95 0.538 -6.828 0.098 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.794 -5.117 -0.030 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.789 -6.183 0.402 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.492 -3.785 -0.255 1.00 0.00 C ATOM 0 H VAL A 95 0.390 -3.741 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.116 -4.739 1.983 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.348 -5.432 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.574 -6.273 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.276 -7.139 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.231 -5.902 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.282 -3.909 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.925 -3.438 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.770 -3.052 -0.614 1.00 0.00 H new ATOM 1503 N ARG A 96 0.253 -6.782 2.330 1.00 0.00 N ATOM 1504 CA ARG A 96 0.969 -8.032 2.557 1.00 0.00 C ATOM 1505 C ARG A 96 0.013 -9.132 3.008 1.00 0.00 C ATOM 1506 O ARG A 96 -0.985 -8.866 3.679 1.00 0.00 O ATOM 1507 CB ARG A 96 2.065 -7.833 3.606 1.00 0.00 C ATOM 1508 CG ARG A 96 1.529 -7.530 4.996 1.00 0.00 C ATOM 1509 CD ARG A 96 2.650 -7.170 5.959 1.00 0.00 C ATOM 1510 NE ARG A 96 3.067 -5.778 5.817 1.00 0.00 N ATOM 1511 CZ ARG A 96 3.901 -5.171 6.654 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.406 -5.832 7.687 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.233 -3.902 6.458 1.00 0.00 N ATOM 0 H ARG A 96 -0.107 -6.342 3.177 1.00 0.00 H new ATOM 0 HA ARG A 96 1.427 -8.336 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.681 -8.731 3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.715 -7.017 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.817 -6.707 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.987 -8.396 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.319 -7.347 6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.504 -7.824 5.782 1.00 0.00 H new ATOM 0 HE ARG A 96 2.698 -5.242 5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.154 -6.809 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.046 -5.364 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.848 -3.391 5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.873 -3.437 7.102 1.00 0.00 H new ATOM 1527 N PHE A 97 0.324 -10.369 2.634 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.508 -11.510 2.998 1.00 0.00 C ATOM 1529 C PHE A 97 0.191 -12.384 4.036 1.00 0.00 C ATOM 1530 O PHE A 97 1.228 -12.986 3.760 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.842 -12.341 1.757 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.805 -11.664 0.824 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.529 -10.405 0.316 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.987 -12.286 0.456 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.412 -9.779 -0.544 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.874 -11.666 -0.403 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.587 -10.410 -0.903 1.00 0.00 C ATOM 0 H PHE A 97 1.146 -10.607 2.079 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.433 -11.130 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.080 -12.561 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.263 -13.296 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.613 -9.906 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.218 -13.267 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.183 -8.798 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.791 -12.163 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.280 -9.923 -1.573 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.385 -12.447 5.231 1.00 0.00 N ATOM 1548 CA LYS A 98 0.180 -13.246 6.312 1.00 0.00 C ATOM 1549 C LYS A 98 -0.624 -14.526 6.519 1.00 0.00 C ATOM 1550 O LYS A 98 -1.818 -14.479 6.816 1.00 0.00 O ATOM 1551 CB LYS A 98 0.212 -12.436 7.610 1.00 0.00 C ATOM 1552 CG LYS A 98 0.595 -13.256 8.829 1.00 0.00 C ATOM 1553 CD LYS A 98 0.367 -12.482 10.117 1.00 0.00 C ATOM 1554 CE LYS A 98 0.381 -13.399 11.330 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.136 -12.716 12.548 1.00 0.00 N ATOM 0 H LYS A 98 -1.244 -11.954 5.476 1.00 0.00 H new ATOM 0 HA LYS A 98 1.199 -13.518 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.919 -11.614 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.769 -11.991 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.010 -14.176 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.643 -13.546 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.139 -11.721 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.589 -11.961 10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.224 -14.282 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.399 -13.745 11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.110 -13.374 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.456 -11.888 12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.116 -12.408 12.384 1.00 0.00 H new ATOM 1569 N ARG A 99 0.039 -15.667 6.362 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.615 -16.959 6.533 1.00 0.00 C ATOM 1571 C ARG A 99 -0.676 -17.347 8.007 1.00 0.00 C ATOM 1572 O ARG A 99 0.325 -17.763 8.592 1.00 0.00 O ATOM 1573 CB ARG A 99 0.127 -18.038 5.741 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.446 -19.433 5.928 1.00 0.00 C ATOM 1575 CD ARG A 99 0.323 -20.465 5.117 1.00 0.00 C ATOM 1576 NE ARG A 99 1.561 -20.869 5.778 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.713 -20.223 5.639 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.785 -19.148 4.866 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.797 -20.653 6.273 1.00 0.00 N ATOM 0 H ARG A 99 1.028 -15.723 6.117 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.634 -16.875 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.100 -17.782 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.175 -18.041 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.415 -19.702 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.494 -19.440 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.305 -21.341 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.554 -20.055 4.134 1.00 0.00 H new ATOM 0 HE ARG A 99 1.540 -21.693 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.954 -18.815 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.671 -18.654 4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.746 -21.480 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.681 -20.156 6.166 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.856 -17.208 8.602 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.048 -17.544 10.007 1.00 0.00 C ATOM 1595 C ILE A 100 -2.166 -19.052 10.200 1.00 0.00 C ATOM 1596 O ILE A 100 -1.534 -19.626 11.088 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.304 -16.864 10.582 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.170 -15.342 10.500 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.533 -17.305 12.020 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.305 -14.599 11.169 1.00 0.00 C ATOM 0 H ILE A 100 -2.694 -16.865 8.132 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.171 -17.179 10.542 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.167 -17.166 9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.229 -15.043 10.961 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.120 -15.046 9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.424 -16.816 12.413 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.668 -18.386 12.052 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.671 -17.029 12.627 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.144 -13.525 11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.247 -14.869 10.693 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.342 -14.866 12.225 1.00 0.00 H new ATOM 1612 N SER A 101 -2.978 -19.689 9.362 1.00 0.00 N ATOM 1613 CA SER A 101 -3.180 -21.131 9.442 1.00 0.00 C ATOM 1614 C SER A 101 -3.819 -21.661 8.162 1.00 0.00 C ATOM 1615 O SER A 101 -4.363 -20.899 7.364 1.00 0.00 O ATOM 1616 CB SER A 101 -4.059 -21.478 10.645 1.00 0.00 C ATOM 1617 OG SER A 101 -3.741 -22.761 11.155 1.00 0.00 O ATOM 0 H SER A 101 -3.506 -19.229 8.620 1.00 0.00 H new ATOM 0 HA SER A 101 -2.205 -21.604 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.925 -20.729 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.109 -21.449 10.353 1.00 0.00 H new ATOM 0 HG SER A 101 -4.315 -22.959 11.924 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.747 -22.975 7.973 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.321 -23.587 6.788 1.00 0.00 C ATOM 1625 C GLY A 102 -3.265 -24.129 5.845 1.00 0.00 C ATOM 1626 O GLY A 102 -2.121 -24.350 6.243 1.00 0.00 O ATOM 0 H GLY A 102 -3.302 -23.627 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.986 -24.397 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.930 -22.852 6.262 1.00 0.00 H new ATOM 1630 N THR A 103 -3.648 -24.345 4.591 1.00 0.00 N ATOM 1631 CA THR A 103 -2.727 -24.867 3.589 1.00 0.00 C ATOM 1632 C THR A 103 -2.094 -23.738 2.784 1.00 0.00 C ATOM 1633 O THR A 103 -2.729 -22.718 2.521 1.00 0.00 O ATOM 1634 CB THR A 103 -3.436 -25.836 2.625 1.00 0.00 C ATOM 1635 OG1 THR A 103 -4.419 -25.131 1.857 1.00 0.00 O ATOM 1636 CG2 THR A 103 -4.101 -26.971 3.389 1.00 0.00 C ATOM 0 H THR A 103 -4.591 -24.166 4.245 1.00 0.00 H new ATOM 0 HA THR A 103 -1.948 -25.407 4.126 1.00 0.00 H new ATOM 0 HB THR A 103 -2.687 -26.260 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.864 -25.754 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.595 -27.642 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.347 -27.524 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.838 -26.562 4.080 1.00 0.00 H new ATOM 1644 N SER A 104 -0.837 -23.929 2.393 1.00 0.00 N ATOM 1645 CA SER A 104 -0.117 -22.925 1.620 1.00 0.00 C ATOM 1646 C SER A 104 -0.726 -22.770 0.230 1.00 0.00 C ATOM 1647 O SER A 104 -1.031 -21.659 -0.205 1.00 0.00 O ATOM 1648 CB SER A 104 1.361 -23.306 1.501 1.00 0.00 C ATOM 1649 OG SER A 104 1.912 -23.612 2.770 1.00 0.00 O ATOM 0 H SER A 104 -0.297 -24.770 2.599 1.00 0.00 H new ATOM 0 HA SER A 104 -0.199 -21.972 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.466 -24.165 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.916 -22.485 1.048 1.00 0.00 H new ATOM 0 HG SER A 104 2.856 -23.854 2.667 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.902 -23.891 -0.461 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.476 -23.880 -1.801 1.00 0.00 C ATOM 1657 C ILE A 105 -2.591 -22.846 -1.913 1.00 0.00 C ATOM 1658 O ILE A 105 -2.487 -21.887 -2.678 1.00 0.00 O ATOM 1659 CB ILE A 105 -2.033 -25.263 -2.186 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.891 -26.261 -2.386 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.882 -25.161 -3.444 1.00 0.00 C ATOM 1662 CD1 ILE A 105 -0.028 -25.956 -3.591 1.00 0.00 C ATOM 0 H ILE A 105 -0.655 -24.818 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.671 -23.618 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.665 -25.622 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.265 -26.269 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.308 -27.262 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.268 -26.147 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.714 -24.480 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.272 -24.783 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.761 -26.703 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.641 -25.977 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.418 -24.968 -3.478 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.656 -23.046 -1.144 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.788 -22.129 -1.154 1.00 0.00 C ATOM 1676 C ALA A 106 -4.339 -20.698 -0.879 1.00 0.00 C ATOM 1677 O ALA A 106 -4.808 -19.756 -1.516 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.828 -22.563 -0.131 1.00 0.00 C ATOM 0 H ALA A 106 -3.758 -23.835 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.237 -22.157 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.668 -21.869 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.180 -23.566 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.381 -22.566 0.863 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.426 -20.542 0.075 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.914 -19.225 0.435 1.00 0.00 C ATOM 1686 C PHE A 107 -2.509 -18.440 -0.809 1.00 0.00 C ATOM 1687 O PHE A 107 -2.864 -17.271 -0.962 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.717 -19.361 1.379 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.305 -18.064 2.015 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.025 -17.538 3.075 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.198 -17.371 1.552 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.649 -16.345 3.663 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.184 -16.178 2.136 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.543 -15.664 3.192 1.00 0.00 C ATOM 0 H PHE A 107 -3.026 -21.311 0.612 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.709 -18.680 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.962 -20.079 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.872 -19.769 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.891 -18.066 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.373 -17.768 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.219 -15.946 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.050 -15.648 1.767 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.247 -14.731 3.649 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.763 -19.091 -1.695 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.309 -18.456 -2.926 1.00 0.00 C ATOM 1706 C LYS A 108 -2.411 -18.464 -3.981 1.00 0.00 C ATOM 1707 O LYS A 108 -2.681 -17.446 -4.617 1.00 0.00 O ATOM 1708 CB LYS A 108 -0.068 -19.171 -3.466 1.00 0.00 C ATOM 1709 CG LYS A 108 1.181 -18.930 -2.636 1.00 0.00 C ATOM 1710 CD LYS A 108 1.360 -20.000 -1.572 1.00 0.00 C ATOM 1711 CE LYS A 108 2.310 -21.093 -2.035 1.00 0.00 C ATOM 1712 NZ LYS A 108 1.607 -22.140 -2.828 1.00 0.00 N ATOM 0 H LYS A 108 -1.460 -20.059 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.055 -17.421 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.265 -20.242 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.116 -18.840 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.054 -18.914 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.120 -17.951 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.744 -19.546 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.392 -20.437 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.104 -20.653 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.785 -21.552 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.877 -23.081 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.579 -22.016 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.874 -22.055 -3.830 1.00 0.00 H new ATOM 1726 N ASN A 109 -3.046 -19.618 -4.159 1.00 0.00 N ATOM 1727 CA ASN A 109 -4.120 -19.757 -5.136 1.00 0.00 C ATOM 1728 C ASN A 109 -5.145 -18.638 -4.980 1.00 0.00 C ATOM 1729 O ASN A 109 -5.706 -18.156 -5.964 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.805 -21.116 -4.981 1.00 0.00 C ATOM 1731 CG ASN A 109 -4.121 -22.203 -5.788 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -4.466 -22.444 -6.944 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -3.145 -22.866 -5.178 1.00 0.00 N ATOM 0 H ASN A 109 -2.835 -20.470 -3.640 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.683 -19.689 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.812 -21.399 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.845 -21.034 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.648 -23.609 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.892 -22.632 -4.218 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.383 -18.230 -3.738 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.339 -17.167 -3.454 1.00 0.00 C ATOM 1742 C ILE A 110 -5.670 -15.798 -3.505 1.00 0.00 C ATOM 1743 O ILE A 110 -6.305 -14.797 -3.837 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.995 -17.354 -2.073 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.115 -16.330 -1.873 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.954 -17.229 -0.971 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.309 -16.558 -2.773 1.00 0.00 C ATOM 0 H ILE A 110 -4.927 -18.619 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.109 -17.221 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.428 -18.353 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.442 -16.360 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.719 -15.331 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.433 -17.363 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.188 -17.992 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.494 -16.242 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.063 -15.796 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.996 -16.499 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.730 -17.544 -2.576 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.383 -15.761 -3.175 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.626 -14.516 -3.187 1.00 0.00 C ATOM 1761 C ALA A 111 -3.459 -13.989 -4.608 1.00 0.00 C ATOM 1762 O ALA A 111 -3.474 -12.780 -4.838 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.267 -14.718 -2.534 1.00 0.00 C ATOM 0 H ALA A 111 -3.843 -16.580 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.185 -13.775 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.713 -13.780 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.404 -15.041 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.710 -15.478 -3.081 1.00 0.00 H new ATOM 1769 N SER A 112 -3.299 -14.904 -5.559 1.00 0.00 N ATOM 1770 CA SER A 112 -3.124 -14.531 -6.958 1.00 0.00 C ATOM 1771 C SER A 112 -4.400 -13.909 -7.517 1.00 0.00 C ATOM 1772 O SER A 112 -4.350 -12.990 -8.335 1.00 0.00 O ATOM 1773 CB SER A 112 -2.732 -15.754 -7.789 1.00 0.00 C ATOM 1774 OG SER A 112 -1.982 -15.376 -8.930 1.00 0.00 O ATOM 0 H SER A 112 -3.287 -15.909 -5.386 1.00 0.00 H new ATOM 0 HA SER A 112 -2.325 -13.792 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.148 -16.441 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.629 -16.289 -8.100 1.00 0.00 H new ATOM 0 HG SER A 112 -1.742 -16.176 -9.443 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.543 -14.417 -7.071 1.00 0.00 N ATOM 1781 CA LYS A 113 -6.834 -13.912 -7.524 1.00 0.00 C ATOM 1782 C LYS A 113 -7.084 -12.504 -6.995 1.00 0.00 C ATOM 1783 O LYS A 113 -7.221 -11.556 -7.769 1.00 0.00 O ATOM 1784 CB LYS A 113 -7.958 -14.846 -7.069 1.00 0.00 C ATOM 1785 CG LYS A 113 -9.274 -14.609 -7.789 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.323 -15.346 -9.117 1.00 0.00 C ATOM 1787 CE LYS A 113 -9.563 -16.835 -8.920 1.00 0.00 C ATOM 1788 NZ LYS A 113 -9.299 -17.609 -10.165 1.00 0.00 N ATOM 0 H LYS A 113 -5.602 -15.179 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.819 -13.874 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.648 -15.879 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.112 -14.720 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.100 -14.939 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.410 -13.541 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.116 -14.928 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.386 -15.195 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.921 -17.204 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.593 -16.998 -8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.474 -18.619 -9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.929 -17.275 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.309 -17.474 -10.454 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.141 -12.374 -5.674 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.371 -11.080 -5.043 1.00 0.00 C ATOM 1804 C ILE A 114 -6.592 -9.977 -5.750 1.00 0.00 C ATOM 1805 O ILE A 114 -7.067 -8.849 -5.874 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.975 -11.101 -3.555 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.759 -12.184 -2.811 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.214 -9.738 -2.924 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.239 -11.893 -2.706 1.00 0.00 C ATOM 0 H ILE A 114 -7.031 -13.149 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.439 -10.875 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.913 -11.333 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.620 -13.137 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.347 -12.296 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.929 -9.769 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.615 -8.988 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.270 -9.479 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.732 -12.702 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.388 -10.956 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.665 -11.811 -3.706 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.392 -10.312 -6.214 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.547 -9.351 -6.912 1.00 0.00 C ATOM 1823 C ALA A 115 -5.163 -8.948 -8.248 1.00 0.00 C ATOM 1824 O ALA A 115 -5.123 -7.781 -8.634 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.155 -9.927 -7.123 1.00 0.00 C ATOM 0 H ALA A 115 -4.984 -11.242 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.468 -8.457 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.535 -9.198 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.707 -10.159 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.224 -10.837 -7.718 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.731 -9.923 -8.950 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.354 -9.670 -10.244 1.00 0.00 C ATOM 1833 C ASN A 116 -7.494 -8.664 -10.112 1.00 0.00 C ATOM 1834 O ASN A 116 -7.629 -7.754 -10.929 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.879 -10.976 -10.845 1.00 0.00 C ATOM 1836 CG ASN A 116 -8.360 -11.176 -10.589 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -9.183 -10.336 -10.952 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -8.705 -12.294 -9.961 1.00 0.00 N ATOM 0 H ASN A 116 -5.773 -10.895 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.598 -9.250 -10.907 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.695 -10.978 -11.919 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.324 -11.815 -10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.687 -12.484 -9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.988 -12.962 -9.678 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.310 -8.836 -9.077 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.438 -7.943 -8.839 1.00 0.00 C ATOM 1847 C GLU A 117 -8.957 -6.568 -8.385 1.00 0.00 C ATOM 1848 O GLU A 117 -9.454 -5.540 -8.847 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.376 -8.540 -7.787 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.824 -9.956 -8.105 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.288 -10.113 -9.540 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -11.721 -9.106 -10.138 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -11.217 -11.244 -10.066 1.00 0.00 O ATOM 0 H GLU A 117 -8.211 -9.584 -8.391 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.981 -7.827 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.873 -8.536 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.255 -7.902 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.000 -10.645 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.635 -10.236 -7.432 1.00 0.00 H new ATOM 1860 N LEU A 118 -7.987 -6.557 -7.477 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.438 -5.309 -6.958 1.00 0.00 C ATOM 1862 C LEU A 118 -6.371 -4.752 -7.897 1.00 0.00 C ATOM 1863 O LEU A 118 -5.540 -3.938 -7.496 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.844 -5.529 -5.566 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.847 -5.638 -4.418 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.259 -6.442 -3.269 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.267 -4.254 -3.943 1.00 0.00 C ATOM 0 H LEU A 118 -7.564 -7.398 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.250 -4.585 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.247 -6.440 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.162 -4.706 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.732 -6.159 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.988 -6.509 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.010 -7.445 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.357 -5.950 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.981 -4.351 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.390 -3.707 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.730 -3.712 -4.767 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.403 -5.196 -9.149 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.442 -4.741 -10.146 1.00 0.00 C ATOM 1881 C LYS A 119 -4.061 -4.555 -9.526 1.00 0.00 C ATOM 1882 O LYS A 119 -3.338 -3.616 -9.865 1.00 0.00 O ATOM 1883 CB LYS A 119 -5.912 -3.427 -10.774 1.00 0.00 C ATOM 1884 CG LYS A 119 -6.921 -3.615 -11.894 1.00 0.00 C ATOM 1885 CD LYS A 119 -8.277 -4.041 -11.356 1.00 0.00 C ATOM 1886 CE LYS A 119 -9.242 -4.378 -12.482 1.00 0.00 C ATOM 1887 NZ LYS A 119 -8.862 -5.638 -13.179 1.00 0.00 N ATOM 0 H LYS A 119 -7.084 -5.871 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.372 -5.503 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.354 -2.801 -9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.047 -2.890 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.026 -2.684 -12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.554 -4.366 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.156 -4.908 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.695 -3.241 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.250 -4.475 -12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.263 -3.558 -13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.705 -6.059 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.156 -5.429 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.459 -6.307 -12.492 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.699 -5.454 -8.618 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.403 -5.390 -7.951 1.00 0.00 C ATOM 1903 C LEU A 120 -1.312 -6.008 -8.820 1.00 0.00 C ATOM 1904 O LEU A 120 -1.584 -6.509 -9.911 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.465 -6.108 -6.602 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.467 -5.552 -5.591 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.531 -6.441 -4.358 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.101 -4.127 -5.205 1.00 0.00 C ATOM 0 H LEU A 120 -4.285 -6.236 -8.326 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.159 -4.341 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.704 -7.156 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.472 -6.080 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.453 -5.539 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.250 -6.029 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.842 -7.444 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.547 -6.487 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.826 -3.748 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.106 -4.115 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.109 -3.496 -6.094 1.00 0.00 H new ATOM 1920 N SER A 121 -0.078 -5.971 -8.328 1.00 0.00 N ATOM 1921 CA SER A 121 1.054 -6.526 -9.060 1.00 0.00 C ATOM 1922 C SER A 121 0.794 -7.980 -9.441 1.00 0.00 C ATOM 1923 O SER A 121 0.964 -8.371 -10.595 1.00 0.00 O ATOM 1924 CB SER A 121 2.329 -6.427 -8.221 1.00 0.00 C ATOM 1925 OG SER A 121 3.482 -6.627 -9.020 1.00 0.00 O ATOM 0 H SER A 121 0.163 -5.562 -7.425 1.00 0.00 H new ATOM 0 HA SER A 121 1.183 -5.946 -9.974 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.379 -5.448 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.302 -7.170 -7.424 1.00 0.00 H new ATOM 0 HG SER A 121 4.284 -6.557 -8.461 1.00 0.00 H new ATOM 1931 N GLY A 122 0.380 -8.777 -8.461 1.00 0.00 N ATOM 1932 CA GLY A 122 0.103 -10.180 -8.712 1.00 0.00 C ATOM 1933 C GLY A 122 1.350 -10.961 -9.077 1.00 0.00 C ATOM 1934 O GLY A 122 1.503 -11.437 -10.202 1.00 0.00 O ATOM 0 H GLY A 122 0.231 -8.477 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.352 -10.622 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.624 -10.265 -9.519 1.00 0.00 H new ATOM 1938 N PRO A 123 2.269 -11.100 -8.111 1.00 0.00 N ATOM 1939 CA PRO A 123 3.526 -11.827 -8.313 1.00 0.00 C ATOM 1940 C PRO A 123 3.310 -13.329 -8.459 1.00 0.00 C ATOM 1941 O PRO A 123 3.412 -14.078 -7.487 1.00 0.00 O ATOM 1942 CB PRO A 123 4.321 -11.522 -7.040 1.00 0.00 C ATOM 1943 CG PRO A 123 3.287 -11.219 -6.012 1.00 0.00 C ATOM 1944 CD PRO A 123 2.153 -10.559 -6.746 1.00 0.00 C ATOM 0 HA PRO A 123 4.030 -11.522 -9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.936 -12.372 -6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.994 -10.677 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.952 -12.130 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.686 -10.562 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.189 -10.802 -6.298 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.245 -9.473 -6.735 1.00 0.00 H new ATOM 1952 N SER A 124 3.011 -13.764 -9.679 1.00 0.00 N ATOM 1953 CA SER A 124 2.776 -15.177 -9.951 1.00 0.00 C ATOM 1954 C SER A 124 3.721 -15.685 -11.036 1.00 0.00 C ATOM 1955 O SER A 124 4.224 -14.910 -11.849 1.00 0.00 O ATOM 1956 CB SER A 124 1.324 -15.403 -10.376 1.00 0.00 C ATOM 1957 OG SER A 124 1.095 -14.918 -11.687 1.00 0.00 O ATOM 0 H SER A 124 2.926 -13.158 -10.495 1.00 0.00 H new ATOM 0 HA SER A 124 2.969 -15.735 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.090 -16.467 -10.333 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.655 -14.901 -9.677 1.00 0.00 H new ATOM 0 HG SER A 124 0.160 -15.076 -11.936 1.00 0.00 H new ATOM 1963 N SER A 125 3.955 -16.993 -11.043 1.00 0.00 N ATOM 1964 CA SER A 125 4.842 -17.606 -12.025 1.00 0.00 C ATOM 1965 C SER A 125 4.320 -17.384 -13.441 1.00 0.00 C ATOM 1966 O SER A 125 5.076 -17.032 -14.346 1.00 0.00 O ATOM 1967 CB SER A 125 4.983 -19.105 -11.751 1.00 0.00 C ATOM 1968 OG SER A 125 3.714 -19.723 -11.633 1.00 0.00 O ATOM 0 H SER A 125 3.543 -17.649 -10.380 1.00 0.00 H new ATOM 0 HA SER A 125 5.821 -17.134 -11.938 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.546 -19.574 -12.558 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.552 -19.258 -10.834 1.00 0.00 H new ATOM 0 HG SER A 125 3.831 -20.680 -11.460 1.00 0.00 H new ATOM 1974 N GLY A 126 3.019 -17.592 -13.626 1.00 0.00 N ATOM 1975 CA GLY A 126 2.417 -17.410 -14.933 1.00 0.00 C ATOM 1976 C GLY A 126 1.163 -18.242 -15.115 1.00 0.00 C ATOM 1977 O GLY A 126 0.505 -18.605 -14.140 1.00 0.00 O ATOM 0 H GLY A 126 2.372 -17.883 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.174 -16.357 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.141 -17.676 -15.703 1.00 0.00 H new TER 1981 GLY A 126