USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 912 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 83 GLN :FLIP amide:sc= -0.636 X(o=-0.97,f=-0.82) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -0.189 F(o=-2,f=-0.82) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.0541 K(o=1.5,f=-6.3!) USER MOD Set 2.2: A 81 GLN : amide:sc= 1.49 K(o=1.5,f=-2.3) USER MOD Set 3.1: A 37 THR OG1 : rot -156:sc= 0.45 USER MOD Set 3.2: A 85 GLN : amide:sc= -0.738 K(o=-0.29,f=-4.7!) USER MOD Set 4.1: A 35 HIS : no HE2:sc= -2.4! C(o=-2.2!,f=-8.3!) USER MOD Set 4.2: A 54 GLN : amide:sc= 0.243 K(o=-2.2,f=-4.1) USER MOD Set 5.1: A 28 GLN : amide:sc= -1.37 K(o=-2.1,f=-4.5!) USER MOD Set 5.2: A 62 GLN : amide:sc= -0.716 K(o=-2.1,f=-5.1) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.091 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 150:sc= 0.952 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.76! C(o=-2.8!,f=-9.9!) USER MOD Single : A 23 GLN : amide:sc= 1.13 K(o=1.1,f=-9!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.458 F(o=-1.6,f=-0.46) USER MOD Single : A 34 MET CE :methyl -162:sc= -0.126 (180deg=-0.565) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 0.0248 (180deg=-0.718) USER MOD Single : A 45 MET CE :methyl -163:sc= -0.1 (180deg=-0.491) USER MOD Single : A 49 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0195) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.063 F(o=-0.69,f=-0.063) USER MOD Single : A 53 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.48) USER MOD Single : A 55 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0006) USER MOD Single : A 64 GLN : amide:sc= -1.62! C(o=-1.6!,f=-4.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 71 GLN : amide:sc= -0.512 K(o=-0.51,f=-2.3!) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0087) USER MOD Single : A 77 GLN : amide:sc= -2.09! C(o=-2.1!,f=-5.7!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00816 K(o=-0.0082,f=-2.3!) USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 90 GLN : amide:sc= 0.772 K(o=0.77,f=-6.6!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= -0.0247 (180deg=-0.219) USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00437) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 109 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 111 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.48) USER MOD Single : A 113 GLN : amide:sc= -0.961 K(o=-0.96,f=-5.6!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0035 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.430 -14.346 -3.895 1.00 0.00 N ATOM 2 CA GLY A 1 -1.710 -15.477 -3.015 1.00 0.00 C ATOM 3 C GLY A 1 -0.453 -15.994 -2.408 1.00 0.00 C ATOM 4 O GLY A 1 0.622 -15.826 -2.983 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.036 -14.404 -4.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.623 -13.457 -3.390 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.431 -14.370 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.400 -15.171 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.201 -16.270 -3.579 1.00 0.00 H new ATOM 10 N ARG A 2 -0.565 -16.598 -1.253 1.00 0.00 N ATOM 11 CA ARG A 2 0.586 -17.168 -0.585 1.00 0.00 C ATOM 12 C ARG A 2 0.678 -18.598 -0.919 1.00 0.00 C ATOM 13 O ARG A 2 -0.282 -19.330 -0.760 1.00 0.00 O ATOM 14 CB ARG A 2 0.496 -17.011 0.918 1.00 0.00 C ATOM 15 CG ARG A 2 0.566 -15.593 1.381 1.00 0.00 C ATOM 16 CD ARG A 2 1.918 -14.975 1.098 1.00 0.00 C ATOM 17 NE ARG A 2 1.959 -13.595 1.556 1.00 0.00 N ATOM 18 CZ ARG A 2 2.852 -13.094 2.396 1.00 0.00 C ATOM 19 NH1 ARG A 2 3.866 -13.824 2.833 1.00 0.00 N ATOM 20 NH2 ARG A 2 2.735 -11.841 2.785 1.00 0.00 N ATOM 0 H ARG A 2 -1.445 -16.710 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 2 1.474 -16.636 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.439 -17.451 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.305 -17.575 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.211 -15.010 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.363 -15.550 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.698 -15.552 1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.125 -15.015 0.029 1.00 0.00 H new ATOM 0 HE ARG A 2 1.242 -12.962 1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.970 -14.790 2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.544 -13.420 3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.964 -11.270 2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.416 -11.442 3.432 1.00 0.00 H new ATOM 34 N CYS A 3 1.787 -18.997 -1.365 1.00 0.00 N ATOM 35 CA CYS A 3 1.970 -20.360 -1.717 1.00 0.00 C ATOM 36 C CYS A 3 3.057 -20.975 -0.876 1.00 0.00 C ATOM 37 O CYS A 3 4.065 -20.329 -0.566 1.00 0.00 O ATOM 38 CB CYS A 3 2.270 -20.495 -3.194 1.00 0.00 C ATOM 39 SG CYS A 3 1.018 -19.712 -4.294 1.00 0.00 S ATOM 0 H CYS A 3 2.604 -18.402 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 3 1.045 -20.901 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.244 -20.051 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.344 -21.554 -3.443 1.00 0.00 H new ATOM 44 N THR A 4 2.839 -22.192 -0.487 1.00 0.00 N ATOM 45 CA THR A 4 3.762 -22.930 0.328 1.00 0.00 C ATOM 46 C THR A 4 4.990 -23.300 -0.491 1.00 0.00 C ATOM 47 O THR A 4 4.905 -23.435 -1.726 1.00 0.00 O ATOM 48 CB THR A 4 3.091 -24.221 0.850 1.00 0.00 C ATOM 49 OG1 THR A 4 2.628 -25.016 -0.260 1.00 0.00 O ATOM 50 CG2 THR A 4 1.908 -23.898 1.750 1.00 0.00 C ATOM 0 H THR A 4 1.997 -22.714 -0.731 1.00 0.00 H new ATOM 0 HA THR A 4 4.059 -22.309 1.173 1.00 0.00 H new ATOM 0 HB THR A 4 3.833 -24.775 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.655 -25.965 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.455 -24.825 2.103 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.250 -23.313 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.170 -23.324 1.189 1.00 0.00 H new ATOM 58 N LYS A 5 6.124 -23.433 0.154 1.00 0.00 N ATOM 59 CA LYS A 5 7.330 -23.839 -0.523 1.00 0.00 C ATOM 60 C LYS A 5 7.332 -25.342 -0.743 1.00 0.00 C ATOM 61 O LYS A 5 8.009 -26.097 -0.031 1.00 0.00 O ATOM 62 CB LYS A 5 8.584 -23.413 0.245 1.00 0.00 C ATOM 63 CG LYS A 5 8.720 -21.917 0.468 1.00 0.00 C ATOM 64 CD LYS A 5 8.703 -21.154 -0.835 1.00 0.00 C ATOM 65 CE LYS A 5 9.005 -19.690 -0.603 1.00 0.00 C ATOM 66 NZ LYS A 5 8.945 -18.907 -1.845 1.00 0.00 N ATOM 0 H LYS A 5 6.236 -23.264 1.154 1.00 0.00 H new ATOM 0 HA LYS A 5 7.349 -23.336 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.586 -23.912 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.462 -23.766 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.907 -21.569 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.650 -21.711 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.438 -21.578 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.728 -21.258 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.293 -19.283 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.996 -19.591 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.159 -17.910 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.642 -19.277 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.992 -18.979 -2.255 1.00 0.00 H new ATOM 80 N SER A 6 6.507 -25.772 -1.644 1.00 0.00 N ATOM 81 CA SER A 6 6.418 -27.141 -2.005 1.00 0.00 C ATOM 82 C SER A 6 6.021 -27.205 -3.459 1.00 0.00 C ATOM 83 O SER A 6 5.622 -26.186 -4.035 1.00 0.00 O ATOM 84 CB SER A 6 5.383 -27.845 -1.123 1.00 0.00 C ATOM 85 OG SER A 6 5.421 -29.252 -1.296 1.00 0.00 O ATOM 0 H SER A 6 5.866 -25.166 -2.156 1.00 0.00 H new ATOM 0 HA SER A 6 7.373 -27.646 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.569 -27.601 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.387 -27.475 -1.364 1.00 0.00 H new ATOM 0 HG SER A 6 4.750 -29.671 -0.718 1.00 0.00 H new ATOM 91 N ILE A 7 6.198 -28.346 -4.065 1.00 0.00 N ATOM 92 CA ILE A 7 5.831 -28.559 -5.446 1.00 0.00 C ATOM 93 C ILE A 7 4.988 -29.836 -5.548 1.00 0.00 C ATOM 94 O ILE A 7 5.463 -30.907 -5.175 1.00 0.00 O ATOM 95 CB ILE A 7 7.085 -28.670 -6.351 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.936 -27.402 -6.211 1.00 0.00 C ATOM 97 CG2 ILE A 7 6.677 -28.878 -7.812 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.257 -27.468 -6.911 1.00 0.00 C ATOM 0 H ILE A 7 6.605 -29.165 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 7 5.251 -27.703 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 7 7.673 -29.532 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.372 -26.555 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.108 -27.209 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.570 -28.954 -8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.095 -29.796 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.074 -28.033 -8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.795 -26.532 -6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.843 -28.292 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.096 -27.628 -7.977 1.00 0.00 H new ATOM 110 N PRO A 8 3.727 -29.755 -6.009 1.00 0.00 N ATOM 111 CA PRO A 8 3.083 -28.500 -6.406 1.00 0.00 C ATOM 112 C PRO A 8 2.683 -27.677 -5.174 1.00 0.00 C ATOM 113 O PRO A 8 2.249 -28.242 -4.156 1.00 0.00 O ATOM 114 CB PRO A 8 1.830 -28.957 -7.182 1.00 0.00 C ATOM 115 CG PRO A 8 1.955 -30.442 -7.315 1.00 0.00 C ATOM 116 CD PRO A 8 2.822 -30.890 -6.181 1.00 0.00 C ATOM 0 HA PRO A 8 3.739 -27.861 -6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.919 -28.687 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.780 -28.479 -8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.977 -30.921 -7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.398 -30.711 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.242 -31.087 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.361 -31.807 -6.420 1.00 0.00 H new ATOM 124 N PRO A 9 2.846 -26.355 -5.236 1.00 0.00 N ATOM 125 CA PRO A 9 2.589 -25.469 -4.104 1.00 0.00 C ATOM 126 C PRO A 9 1.127 -25.402 -3.719 1.00 0.00 C ATOM 127 O PRO A 9 0.228 -25.610 -4.553 1.00 0.00 O ATOM 128 CB PRO A 9 3.059 -24.100 -4.599 1.00 0.00 C ATOM 129 CG PRO A 9 2.967 -24.183 -6.076 1.00 0.00 C ATOM 130 CD PRO A 9 3.294 -25.601 -6.423 1.00 0.00 C ATOM 0 HA PRO A 9 3.101 -25.822 -3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.431 -23.300 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.079 -23.891 -4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.968 -23.916 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.664 -23.493 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.774 -25.924 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.360 -25.735 -6.605 1.00 0.00 H new ATOM 138 N ILE A 10 0.892 -25.135 -2.470 1.00 0.00 N ATOM 139 CA ILE A 10 -0.433 -24.967 -1.961 1.00 0.00 C ATOM 140 C ILE A 10 -0.624 -23.483 -1.806 1.00 0.00 C ATOM 141 O ILE A 10 0.136 -22.839 -1.084 1.00 0.00 O ATOM 142 CB ILE A 10 -0.591 -25.649 -0.572 1.00 0.00 C ATOM 143 CG1 ILE A 10 -0.074 -27.099 -0.615 1.00 0.00 C ATOM 144 CG2 ILE A 10 -2.049 -25.617 -0.120 1.00 0.00 C ATOM 145 CD1 ILE A 10 -0.805 -27.988 -1.593 1.00 0.00 C ATOM 0 H ILE A 10 1.624 -25.027 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.165 -25.418 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 10 0.007 -25.092 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.985 -27.088 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.155 -27.531 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.139 -26.099 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.384 -24.582 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.666 -26.147 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.380 -28.991 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.861 -28.033 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.703 -27.582 -2.600 1.00 0.00 H new ATOM 157 N CYS A 11 -1.558 -22.929 -2.503 1.00 0.00 N ATOM 158 CA CYS A 11 -1.752 -21.514 -2.458 1.00 0.00 C ATOM 159 C CYS A 11 -2.972 -21.147 -1.659 1.00 0.00 C ATOM 160 O CYS A 11 -4.053 -21.727 -1.822 1.00 0.00 O ATOM 161 CB CYS A 11 -1.779 -20.912 -3.857 1.00 0.00 C ATOM 162 SG CYS A 11 -0.240 -21.224 -4.813 1.00 0.00 S ATOM 0 H CYS A 11 -2.202 -23.433 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.896 -21.081 -1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.628 -21.321 -4.405 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.938 -19.837 -3.779 1.00 0.00 H new ATOM 167 N PHE A 12 -2.774 -20.230 -0.774 1.00 0.00 N ATOM 168 CA PHE A 12 -3.779 -19.736 0.101 1.00 0.00 C ATOM 169 C PHE A 12 -4.066 -18.302 -0.214 1.00 0.00 C ATOM 170 O PHE A 12 -3.180 -17.592 -0.726 1.00 0.00 O ATOM 171 CB PHE A 12 -3.309 -19.850 1.546 1.00 0.00 C ATOM 172 CG PHE A 12 -3.255 -21.248 2.018 1.00 0.00 C ATOM 173 CD1 PHE A 12 -2.057 -21.927 2.132 1.00 0.00 C ATOM 174 CD2 PHE A 12 -4.419 -21.889 2.332 1.00 0.00 C ATOM 175 CE1 PHE A 12 -2.040 -23.235 2.559 1.00 0.00 C ATOM 176 CE2 PHE A 12 -4.419 -23.177 2.754 1.00 0.00 C ATOM 177 CZ PHE A 12 -3.230 -23.865 2.872 1.00 0.00 C ATOM 0 H PHE A 12 -1.866 -19.785 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.686 -20.326 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.320 -19.401 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.980 -19.279 2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.131 -21.429 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.356 -21.360 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.104 -23.766 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.351 -23.665 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.228 -24.892 3.207 1.00 0.00 H new ATOM 187 N PRO A 13 -5.296 -17.845 0.073 1.00 0.00 N ATOM 188 CA PRO A 13 -5.678 -16.446 -0.121 1.00 0.00 C ATOM 189 C PRO A 13 -4.746 -15.527 0.675 1.00 0.00 C ATOM 190 O PRO A 13 -4.214 -14.538 0.164 1.00 0.00 O ATOM 191 CB PRO A 13 -7.105 -16.369 0.450 1.00 0.00 C ATOM 192 CG PRO A 13 -7.618 -17.773 0.440 1.00 0.00 C ATOM 193 CD PRO A 13 -6.424 -18.674 0.579 1.00 0.00 C ATOM 0 HA PRO A 13 -5.619 -16.134 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.101 -15.960 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.735 -15.717 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.320 -17.933 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.154 -17.982 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.267 -18.974 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.542 -19.588 -0.003 1.00 0.00 H new ATOM 201 N ASP A 14 -4.519 -15.902 1.910 1.00 0.00 N ATOM 202 CA ASP A 14 -3.642 -15.191 2.798 1.00 0.00 C ATOM 203 C ASP A 14 -2.982 -16.188 3.721 1.00 0.00 C ATOM 204 O ASP A 14 -3.454 -17.330 3.860 1.00 0.00 O ATOM 205 CB ASP A 14 -4.405 -14.096 3.581 1.00 0.00 C ATOM 206 CG ASP A 14 -3.561 -13.362 4.627 1.00 0.00 C ATOM 207 OD1 ASP A 14 -4.108 -13.002 5.687 1.00 0.00 O ATOM 208 OD2 ASP A 14 -2.332 -13.181 4.428 1.00 0.00 O ATOM 0 H ASP A 14 -4.948 -16.726 2.331 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.873 -14.675 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.798 -13.367 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.262 -14.552 4.078 1.00 0.00 H new ATOM 213 N GLY A 15 -1.907 -15.791 4.304 1.00 0.00 N ATOM 214 CA GLY A 15 -1.186 -16.635 5.179 1.00 0.00 C ATOM 215 C GLY A 15 -0.854 -15.958 6.482 1.00 0.00 C ATOM 216 O GLY A 15 -0.479 -16.631 7.442 1.00 0.00 O ATOM 0 H GLY A 15 -1.502 -14.862 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.771 -17.533 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.264 -16.956 4.694 1.00 0.00 H new ATOM 220 N LEU A 16 -1.014 -14.625 6.538 1.00 0.00 N ATOM 221 CA LEU A 16 -0.697 -13.872 7.750 1.00 0.00 C ATOM 222 C LEU A 16 -1.176 -12.442 7.654 1.00 0.00 C ATOM 223 O LEU A 16 -1.889 -11.952 8.529 1.00 0.00 O ATOM 224 CB LEU A 16 0.823 -13.899 8.136 1.00 0.00 C ATOM 225 CG LEU A 16 1.849 -13.205 7.202 1.00 0.00 C ATOM 226 CD1 LEU A 16 3.199 -13.138 7.881 1.00 0.00 C ATOM 227 CD2 LEU A 16 1.990 -13.936 5.880 1.00 0.00 C ATOM 0 H LEU A 16 -1.358 -14.057 5.764 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.235 -14.383 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.920 -13.448 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.120 -14.943 8.232 1.00 0.00 H new ATOM 0 HG LEU A 16 1.481 -12.200 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.915 -12.650 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.113 -12.569 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.543 -14.147 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.717 -13.419 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.328 -14.956 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.026 -13.959 5.372 1.00 0.00 H new ATOM 239 N ASP A 17 -0.827 -11.808 6.581 1.00 0.00 N ATOM 240 CA ASP A 17 -1.103 -10.401 6.371 1.00 0.00 C ATOM 241 C ASP A 17 -0.792 -10.028 4.944 1.00 0.00 C ATOM 242 O ASP A 17 0.387 -9.897 4.570 1.00 0.00 O ATOM 243 CB ASP A 17 -0.276 -9.527 7.357 1.00 0.00 C ATOM 244 CG ASP A 17 -0.425 -8.028 7.139 1.00 0.00 C ATOM 245 OD1 ASP A 17 -1.560 -7.514 7.194 1.00 0.00 O ATOM 246 OD2 ASP A 17 0.604 -7.329 6.979 1.00 0.00 O ATOM 0 H ASP A 17 -0.333 -12.250 5.806 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.160 -10.217 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.577 -9.766 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.777 -9.793 7.265 1.00 0.00 H new ATOM 251 N ASN A 18 -1.821 -9.939 4.135 1.00 0.00 N ATOM 252 CA ASN A 18 -1.691 -9.520 2.746 1.00 0.00 C ATOM 253 C ASN A 18 -2.467 -8.244 2.506 1.00 0.00 C ATOM 254 O ASN A 18 -3.638 -8.287 2.126 1.00 0.00 O ATOM 255 CB ASN A 18 -2.174 -10.589 1.738 1.00 0.00 C ATOM 256 CG ASN A 18 -1.273 -11.793 1.611 1.00 0.00 C ATOM 257 OD1 ASN A 18 -0.065 -11.711 1.812 1.00 0.00 O ATOM 258 ND2 ASN A 18 -1.839 -12.911 1.225 1.00 0.00 N ATOM 0 H ASN A 18 -2.778 -10.154 4.415 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.625 -9.362 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.167 -10.926 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.275 -10.124 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.272 -13.747 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.846 -12.945 1.067 1.00 0.00 H new ATOM 265 N PRO A 19 -1.859 -7.075 2.773 1.00 0.00 N ATOM 266 CA PRO A 19 -2.510 -5.791 2.530 1.00 0.00 C ATOM 267 C PRO A 19 -2.367 -5.384 1.059 1.00 0.00 C ATOM 268 O PRO A 19 -3.046 -4.485 0.561 1.00 0.00 O ATOM 269 CB PRO A 19 -1.752 -4.815 3.453 1.00 0.00 C ATOM 270 CG PRO A 19 -0.696 -5.626 4.152 1.00 0.00 C ATOM 271 CD PRO A 19 -0.536 -6.900 3.381 1.00 0.00 C ATOM 0 HA PRO A 19 -3.581 -5.811 2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.303 -4.006 2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.429 -4.356 4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.246 -5.079 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.988 -5.833 5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.249 -6.822 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.274 -7.736 4.030 1.00 0.00 H new ATOM 279 N ARG A 20 -1.447 -6.059 0.397 1.00 0.00 N ATOM 280 CA ARG A 20 -1.169 -5.902 -1.021 1.00 0.00 C ATOM 281 C ARG A 20 -0.902 -7.288 -1.535 1.00 0.00 C ATOM 282 O ARG A 20 -1.436 -7.716 -2.543 1.00 0.00 O ATOM 283 CB ARG A 20 0.083 -5.004 -1.324 1.00 0.00 C ATOM 284 CG ARG A 20 0.054 -3.593 -0.736 1.00 0.00 C ATOM 285 CD ARG A 20 0.418 -3.607 0.734 1.00 0.00 C ATOM 286 NE ARG A 20 0.013 -2.379 1.431 1.00 0.00 N ATOM 287 CZ ARG A 20 0.317 -2.070 2.713 1.00 0.00 C ATOM 288 NH1 ARG A 20 1.271 -2.742 3.370 1.00 0.00 N ATOM 289 NH2 ARG A 20 -0.304 -1.071 3.300 1.00 0.00 N ATOM 0 H ARG A 20 -0.852 -6.756 0.845 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.015 -5.407 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.970 -5.514 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.194 -4.923 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.750 -2.955 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.939 -3.163 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.055 -4.464 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.495 -3.739 0.836 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.543 -1.704 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.777 -3.495 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.492 -2.500 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.007 -0.537 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.082 -0.830 4.266 1.00 0.00 H new ATOM 303 N GLY A 21 -0.068 -7.991 -0.791 1.00 0.00 N ATOM 304 CA GLY A 21 0.282 -9.349 -1.096 1.00 0.00 C ATOM 305 C GLY A 21 1.696 -9.575 -0.729 1.00 0.00 C ATOM 306 O GLY A 21 2.015 -10.361 0.166 1.00 0.00 O ATOM 0 H GLY A 21 0.384 -7.625 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.363 -10.036 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.132 -9.547 -2.157 1.00 0.00 H new ATOM 310 N CYS A 22 2.544 -8.874 -1.403 1.00 0.00 N ATOM 311 CA CYS A 22 3.917 -8.828 -1.060 1.00 0.00 C ATOM 312 C CYS A 22 4.068 -8.138 0.268 1.00 0.00 C ATOM 313 O CYS A 22 3.401 -7.123 0.532 1.00 0.00 O ATOM 314 CB CYS A 22 4.715 -8.106 -2.128 1.00 0.00 C ATOM 315 SG CYS A 22 5.216 -9.139 -3.530 1.00 0.00 S ATOM 0 H CYS A 22 2.296 -8.311 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 22 4.303 -9.845 -0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.122 -7.272 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.608 -7.682 -1.670 1.00 0.00 H new ATOM 320 N GLN A 23 4.876 -8.689 1.118 1.00 0.00 N ATOM 321 CA GLN A 23 5.091 -8.092 2.391 1.00 0.00 C ATOM 322 C GLN A 23 6.373 -7.312 2.409 1.00 0.00 C ATOM 323 O GLN A 23 7.464 -7.839 2.631 1.00 0.00 O ATOM 324 CB GLN A 23 5.002 -9.090 3.530 1.00 0.00 C ATOM 325 CG GLN A 23 5.917 -10.290 3.409 1.00 0.00 C ATOM 326 CD GLN A 23 5.834 -11.197 4.618 1.00 0.00 C ATOM 327 OE1 GLN A 23 5.010 -12.099 4.669 1.00 0.00 O ATOM 328 NE2 GLN A 23 6.682 -10.979 5.580 1.00 0.00 N ATOM 0 H GLN A 23 5.396 -9.551 0.951 1.00 0.00 H new ATOM 0 HA GLN A 23 4.277 -7.387 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.228 -8.573 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.973 -9.443 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.656 -10.855 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.945 -9.950 3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.356 -10.217 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.673 -11.570 6.411 1.00 0.00 H new ATOM 337 N ILE A 24 6.246 -6.085 2.102 1.00 0.00 N ATOM 338 CA ILE A 24 7.358 -5.198 2.116 1.00 0.00 C ATOM 339 C ILE A 24 7.335 -4.551 3.479 1.00 0.00 C ATOM 340 O ILE A 24 6.247 -4.238 3.989 1.00 0.00 O ATOM 341 CB ILE A 24 7.294 -4.099 0.989 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.022 -4.691 -0.407 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.584 -3.314 0.926 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.582 -5.026 -0.687 1.00 0.00 C ATOM 0 H ILE A 24 5.363 -5.653 1.830 1.00 0.00 H new ATOM 0 HA ILE A 24 8.277 -5.750 1.921 1.00 0.00 H new ATOM 0 HB ILE A 24 6.463 -3.447 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.367 -3.982 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.619 -5.595 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.514 -2.562 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.758 -2.823 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.411 -3.990 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.493 -5.436 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.232 -5.762 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.976 -4.123 -0.608 1.00 0.00 H new ATOM 356 N ARG A 25 8.472 -4.397 4.093 1.00 0.00 N ATOM 357 CA ARG A 25 8.522 -3.850 5.420 1.00 0.00 C ATOM 358 C ARG A 25 8.202 -2.357 5.382 1.00 0.00 C ATOM 359 O ARG A 25 8.892 -1.577 4.729 1.00 0.00 O ATOM 360 CB ARG A 25 9.875 -4.165 6.103 1.00 0.00 C ATOM 361 CG ARG A 25 11.100 -3.520 5.477 1.00 0.00 C ATOM 362 CD ARG A 25 12.374 -4.035 6.116 1.00 0.00 C ATOM 363 NE ARG A 25 13.569 -3.388 5.564 1.00 0.00 N ATOM 364 CZ ARG A 25 14.388 -3.936 4.647 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.071 -5.087 4.058 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.499 -3.316 4.301 1.00 0.00 N ATOM 0 H ARG A 25 9.379 -4.643 3.696 1.00 0.00 H new ATOM 0 HA ARG A 25 7.759 -4.326 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.816 -3.851 7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.017 -5.246 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.117 -3.727 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.044 -2.438 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.334 -3.864 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.444 -5.112 5.967 1.00 0.00 H new ATOM 0 HE ARG A 25 13.797 -2.452 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.201 -5.561 4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.698 -5.495 3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.738 -2.421 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.120 -3.731 3.606 1.00 0.00 H new ATOM 380 N ILE A 26 7.156 -1.960 6.088 1.00 0.00 N ATOM 381 CA ILE A 26 6.688 -0.566 6.077 1.00 0.00 C ATOM 382 C ILE A 26 7.722 0.393 6.648 1.00 0.00 C ATOM 383 O ILE A 26 7.682 1.598 6.400 1.00 0.00 O ATOM 384 CB ILE A 26 5.286 -0.385 6.774 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.238 -0.902 8.243 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.205 -1.060 5.956 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.950 -0.045 9.280 1.00 0.00 C ATOM 0 H ILE A 26 6.606 -2.580 6.682 1.00 0.00 H new ATOM 0 HA ILE A 26 6.550 -0.308 5.027 1.00 0.00 H new ATOM 0 HB ILE A 26 5.111 0.690 6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.193 -1.000 8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.671 -1.902 8.269 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.241 -0.928 6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.169 -0.614 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.425 -2.124 5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.849 -0.504 10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.006 0.034 9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.505 0.950 9.297 1.00 0.00 H new ATOM 399 N GLN A 27 8.688 -0.167 7.351 1.00 0.00 N ATOM 400 CA GLN A 27 9.713 0.600 7.997 1.00 0.00 C ATOM 401 C GLN A 27 10.742 1.067 6.992 1.00 0.00 C ATOM 402 O GLN A 27 11.481 1.998 7.253 1.00 0.00 O ATOM 403 CB GLN A 27 10.361 -0.210 9.117 1.00 0.00 C ATOM 404 CG GLN A 27 11.044 -1.483 8.650 1.00 0.00 C ATOM 405 CD GLN A 27 11.526 -2.334 9.794 1.00 0.00 C ATOM 406 OE1 GLN A 27 10.786 -3.171 10.305 1.00 0.00 O ATOM 407 NE2 GLN A 27 12.761 -2.166 10.184 1.00 0.00 N ATOM 0 H GLN A 27 8.776 -1.174 7.485 1.00 0.00 H new ATOM 0 HA GLN A 27 9.257 1.484 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.094 0.416 9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.598 -0.469 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.350 -2.061 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.890 -1.225 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.346 -1.461 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.141 -2.740 10.937 1.00 0.00 H new ATOM 416 N GLN A 28 10.773 0.442 5.823 1.00 0.00 N ATOM 417 CA GLN A 28 11.718 0.863 4.821 1.00 0.00 C ATOM 418 C GLN A 28 11.097 1.993 4.015 1.00 0.00 C ATOM 419 O GLN A 28 11.781 2.893 3.536 1.00 0.00 O ATOM 420 CB GLN A 28 12.154 -0.287 3.901 1.00 0.00 C ATOM 421 CG GLN A 28 11.146 -0.686 2.840 1.00 0.00 C ATOM 422 CD GLN A 28 11.758 -1.422 1.669 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.261 -1.337 0.565 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.852 -2.106 1.887 1.00 0.00 N ATOM 0 H GLN A 28 10.169 -0.336 5.558 1.00 0.00 H new ATOM 0 HA GLN A 28 12.622 1.208 5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.083 -0.003 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.374 -1.159 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.382 -1.316 3.295 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.644 0.209 2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.243 -2.157 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.314 -2.589 1.116 1.00 0.00 H new ATOM 433 N LEU A 29 9.769 1.968 3.918 1.00 0.00 N ATOM 434 CA LEU A 29 9.049 2.994 3.195 1.00 0.00 C ATOM 435 C LEU A 29 8.796 4.156 4.064 1.00 0.00 C ATOM 436 O LEU A 29 8.352 5.180 3.591 1.00 0.00 O ATOM 437 CB LEU A 29 7.716 2.525 2.601 1.00 0.00 C ATOM 438 CG LEU A 29 7.770 1.469 1.513 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.933 1.724 0.561 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.784 0.079 2.096 1.00 0.00 C ATOM 0 H LEU A 29 9.178 1.247 4.333 1.00 0.00 H new ATOM 0 HA LEU A 29 9.696 3.263 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.102 2.139 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.201 3.397 2.199 1.00 0.00 H new ATOM 0 HG LEU A 29 6.858 1.542 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.949 0.953 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.813 2.701 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.870 1.701 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.823 -0.653 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.659 -0.039 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.880 -0.078 2.685 1.00 0.00 H new ATOM 452 N ASN A 30 9.108 3.998 5.336 1.00 0.00 N ATOM 453 CA ASN A 30 8.930 5.039 6.332 1.00 0.00 C ATOM 454 C ASN A 30 9.624 6.320 5.906 1.00 0.00 C ATOM 455 O ASN A 30 9.089 7.407 6.107 1.00 0.00 O ATOM 456 CB ASN A 30 9.423 4.560 7.711 1.00 0.00 C ATOM 457 CG ASN A 30 9.359 5.631 8.791 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.326 5.818 9.434 1.00 0.00 O ATOM 459 ND2 ASN A 30 10.462 6.288 9.044 1.00 0.00 N ATOM 0 H ASN A 30 9.497 3.133 5.712 1.00 0.00 H new ATOM 0 HA ASN A 30 7.865 5.257 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.824 3.705 8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.452 4.212 7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.483 6.980 9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.301 6.109 8.492 1.00 0.00 H new ATOM 466 N HIS A 31 10.771 6.182 5.226 1.00 0.00 N ATOM 467 CA HIS A 31 11.512 7.350 4.763 1.00 0.00 C ATOM 468 C HIS A 31 10.710 8.019 3.662 1.00 0.00 C ATOM 469 O HIS A 31 10.391 9.198 3.742 1.00 0.00 O ATOM 470 CB HIS A 31 12.882 6.974 4.174 1.00 0.00 C ATOM 471 CG HIS A 31 13.837 8.140 4.127 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.630 9.426 3.732 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.156 8.072 4.502 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.804 10.140 3.870 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.695 9.273 4.337 1.00 0.00 N flip ATOM 0 H HIS A 31 11.196 5.285 4.990 1.00 0.00 H new ATOM 0 HA HIS A 31 11.670 8.005 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.321 6.174 4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.744 6.582 3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.666 7.193 4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.964 11.184 3.645 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.668 9.501 4.542 1.00 0.00 H new ATOM 483 N CYS A 32 10.390 7.220 2.654 1.00 0.00 N ATOM 484 CA CYS A 32 9.664 7.628 1.460 1.00 0.00 C ATOM 485 C CYS A 32 8.377 8.340 1.897 1.00 0.00 C ATOM 486 O CYS A 32 8.137 9.493 1.553 1.00 0.00 O ATOM 487 CB CYS A 32 9.341 6.346 0.679 1.00 0.00 C ATOM 488 SG CYS A 32 9.164 6.510 -1.111 1.00 0.00 S ATOM 0 H CYS A 32 10.639 6.231 2.645 1.00 0.00 H new ATOM 0 HA CYS A 32 10.241 8.310 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.128 5.619 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.415 5.930 1.076 1.00 0.00 H new ATOM 493 N GLN A 33 7.630 7.643 2.728 1.00 0.00 N ATOM 494 CA GLN A 33 6.426 8.093 3.361 1.00 0.00 C ATOM 495 C GLN A 33 6.594 9.475 4.035 1.00 0.00 C ATOM 496 O GLN A 33 5.953 10.444 3.641 1.00 0.00 O ATOM 497 CB GLN A 33 6.069 7.046 4.406 1.00 0.00 C ATOM 498 CG GLN A 33 5.071 7.493 5.417 1.00 0.00 C ATOM 499 CD GLN A 33 5.027 6.580 6.606 1.00 0.00 C ATOM 500 OE1 GLN A 33 4.258 5.653 6.669 1.00 0.00 O ATOM 501 NE2 GLN A 33 5.883 6.813 7.547 1.00 0.00 N ATOM 0 H GLN A 33 7.871 6.687 2.990 1.00 0.00 H new ATOM 0 HA GLN A 33 5.642 8.212 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.681 6.163 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.979 6.743 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.315 8.503 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.084 7.537 4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.523 7.604 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.918 6.206 8.366 1.00 0.00 H new ATOM 510 N MET A 34 7.496 9.565 5.016 1.00 0.00 N ATOM 511 CA MET A 34 7.632 10.791 5.814 1.00 0.00 C ATOM 512 C MET A 34 8.213 11.937 5.027 1.00 0.00 C ATOM 513 O MET A 34 7.959 13.091 5.321 1.00 0.00 O ATOM 514 CB MET A 34 8.446 10.567 7.090 1.00 0.00 C ATOM 515 CG MET A 34 9.921 10.228 6.895 1.00 0.00 C ATOM 516 SD MET A 34 10.791 9.940 8.458 1.00 0.00 S ATOM 517 CE MET A 34 10.620 11.543 9.253 1.00 0.00 C ATOM 0 H MET A 34 8.137 8.815 5.276 1.00 0.00 H new ATOM 0 HA MET A 34 6.616 11.062 6.099 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.379 11.466 7.702 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.981 9.760 7.657 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.005 9.339 6.269 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.408 11.042 6.359 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.354 11.632 10.054 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.786 12.332 8.520 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.617 11.638 9.668 1.00 0.00 H new ATOM 527 N HIS A 35 9.006 11.623 4.061 1.00 0.00 N ATOM 528 CA HIS A 35 9.622 12.641 3.218 1.00 0.00 C ATOM 529 C HIS A 35 8.566 13.253 2.283 1.00 0.00 C ATOM 530 O HIS A 35 8.708 14.385 1.815 1.00 0.00 O ATOM 531 CB HIS A 35 10.767 12.037 2.405 1.00 0.00 C ATOM 532 CG HIS A 35 11.777 13.030 1.895 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.471 14.281 1.396 1.00 0.00 N ATOM 534 CD2 HIS A 35 13.122 12.922 1.825 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.613 14.876 1.041 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.648 14.091 1.281 1.00 0.00 N ATOM 0 H HIS A 35 9.257 10.665 3.818 1.00 0.00 H new ATOM 0 HA HIS A 35 10.029 13.427 3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.283 11.301 3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.346 11.501 1.555 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.536 14.681 1.313 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.698 12.065 2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.681 15.866 0.615 1.00 0.00 H new ATOM 544 N LEU A 36 7.535 12.488 2.001 1.00 0.00 N ATOM 545 CA LEU A 36 6.434 12.956 1.173 1.00 0.00 C ATOM 546 C LEU A 36 5.361 13.642 2.010 1.00 0.00 C ATOM 547 O LEU A 36 4.700 14.547 1.543 1.00 0.00 O ATOM 548 CB LEU A 36 5.809 11.801 0.392 1.00 0.00 C ATOM 549 CG LEU A 36 6.716 11.114 -0.625 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.035 9.899 -1.212 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.124 12.072 -1.730 1.00 0.00 C ATOM 0 H LEU A 36 7.431 11.530 2.334 1.00 0.00 H new ATOM 0 HA LEU A 36 6.846 13.681 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.462 11.052 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.929 12.176 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 36 7.617 10.792 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.698 9.424 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.801 9.193 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.114 10.203 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.770 11.555 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.234 12.433 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.662 12.917 -1.299 1.00 0.00 H new ATOM 563 N THR A 37 5.166 13.215 3.232 1.00 0.00 N ATOM 564 CA THR A 37 4.139 13.839 4.025 1.00 0.00 C ATOM 565 C THR A 37 4.634 15.135 4.680 1.00 0.00 C ATOM 566 O THR A 37 3.845 16.031 5.011 1.00 0.00 O ATOM 567 CB THR A 37 3.587 12.854 5.082 1.00 0.00 C ATOM 568 OG1 THR A 37 4.652 12.350 5.920 1.00 0.00 O ATOM 569 CG2 THR A 37 2.912 11.678 4.404 1.00 0.00 C ATOM 0 H THR A 37 5.685 12.464 3.687 1.00 0.00 H new ATOM 0 HA THR A 37 3.324 14.110 3.354 1.00 0.00 H new ATOM 0 HB THR A 37 2.866 13.396 5.695 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.386 11.489 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.528 10.993 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.088 12.037 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.634 11.157 3.775 1.00 0.00 H new ATOM 577 N SER A 38 5.927 15.249 4.819 1.00 0.00 N ATOM 578 CA SER A 38 6.509 16.403 5.444 1.00 0.00 C ATOM 579 C SER A 38 6.838 17.488 4.436 1.00 0.00 C ATOM 580 O SER A 38 7.538 17.250 3.439 1.00 0.00 O ATOM 581 CB SER A 38 7.750 16.038 6.280 1.00 0.00 C ATOM 582 OG SER A 38 8.251 17.167 7.010 1.00 0.00 O ATOM 0 H SER A 38 6.601 14.551 4.505 1.00 0.00 H new ATOM 0 HA SER A 38 5.756 16.801 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.497 15.238 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.531 15.654 5.623 1.00 0.00 H new ATOM 0 HG SER A 38 9.037 16.898 7.530 1.00 0.00 H new ATOM 588 N PHE A 39 6.369 18.669 4.701 1.00 0.00 N ATOM 589 CA PHE A 39 6.753 19.812 3.945 1.00 0.00 C ATOM 590 C PHE A 39 7.702 20.598 4.803 1.00 0.00 C ATOM 591 O PHE A 39 8.012 20.179 5.936 1.00 0.00 O ATOM 592 CB PHE A 39 5.544 20.673 3.556 1.00 0.00 C ATOM 593 CG PHE A 39 4.619 20.016 2.580 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.911 20.025 1.225 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.460 19.396 3.010 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.065 19.426 0.318 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.612 18.797 2.109 1.00 0.00 C ATOM 598 CZ PHE A 39 2.915 18.812 0.759 1.00 0.00 C ATOM 0 H PHE A 39 5.707 18.863 5.452 1.00 0.00 H new ATOM 0 HA PHE A 39 7.221 19.502 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.985 20.925 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.901 21.610 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.812 20.507 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.219 19.382 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.303 19.438 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.710 18.315 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.249 18.342 0.051 1.00 0.00 H new ATOM 608 N ASP A 40 8.167 21.687 4.305 1.00 0.00 N ATOM 609 CA ASP A 40 9.035 22.531 5.042 1.00 0.00 C ATOM 610 C ASP A 40 8.620 23.952 4.742 1.00 0.00 C ATOM 611 O ASP A 40 7.809 24.172 3.834 1.00 0.00 O ATOM 612 CB ASP A 40 10.495 22.260 4.689 1.00 0.00 C ATOM 613 CG ASP A 40 11.436 22.741 5.749 1.00 0.00 C ATOM 614 OD1 ASP A 40 11.953 21.911 6.536 1.00 0.00 O ATOM 615 OD2 ASP A 40 11.683 23.937 5.827 1.00 0.00 O ATOM 0 H ASP A 40 7.953 22.020 3.365 1.00 0.00 H new ATOM 0 HA ASP A 40 8.957 22.342 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.637 21.190 4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.735 22.749 3.745 1.00 0.00 H new ATOM 620 N TYR A 41 9.182 24.893 5.418 1.00 0.00 N ATOM 621 CA TYR A 41 8.684 26.246 5.384 1.00 0.00 C ATOM 622 C TYR A 41 9.417 27.129 4.398 1.00 0.00 C ATOM 623 O TYR A 41 8.827 27.995 3.777 1.00 0.00 O ATOM 624 CB TYR A 41 8.737 26.835 6.793 1.00 0.00 C ATOM 625 CG TYR A 41 10.132 26.904 7.401 1.00 0.00 C ATOM 626 CD1 TYR A 41 10.960 27.986 7.156 1.00 0.00 C ATOM 627 CD2 TYR A 41 10.620 25.880 8.198 1.00 0.00 C ATOM 628 CE1 TYR A 41 12.224 28.049 7.673 1.00 0.00 C ATOM 629 CE2 TYR A 41 11.891 25.941 8.728 1.00 0.00 C ATOM 630 CZ TYR A 41 12.689 27.027 8.458 1.00 0.00 C ATOM 631 OH TYR A 41 13.965 27.095 8.979 1.00 0.00 O ATOM 0 H TYR A 41 10.000 24.758 6.013 1.00 0.00 H new ATOM 0 HA TYR A 41 7.653 26.209 5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.316 27.840 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.100 26.238 7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.599 28.799 6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.996 25.023 8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.854 28.901 7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.258 25.140 9.352 1.00 0.00 H new ATOM 0 HH TYR A 41 14.143 26.294 9.514 1.00 0.00 H new ATOM 641 N LYS A 42 10.700 26.906 4.240 1.00 0.00 N ATOM 642 CA LYS A 42 11.479 27.789 3.389 1.00 0.00 C ATOM 643 C LYS A 42 11.582 27.247 1.972 1.00 0.00 C ATOM 644 O LYS A 42 12.422 27.692 1.189 1.00 0.00 O ATOM 645 CB LYS A 42 12.876 28.078 3.986 1.00 0.00 C ATOM 646 CG LYS A 42 13.944 26.991 3.814 1.00 0.00 C ATOM 647 CD LYS A 42 13.599 25.695 4.485 1.00 0.00 C ATOM 648 CE LYS A 42 14.729 24.703 4.330 1.00 0.00 C ATOM 649 NZ LYS A 42 14.474 23.453 5.066 1.00 0.00 N ATOM 0 H LYS A 42 11.220 26.144 4.674 1.00 0.00 H new ATOM 0 HA LYS A 42 10.947 28.739 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.253 28.997 3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.756 28.270 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.097 26.810 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.890 27.357 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.401 25.868 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.686 25.286 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.871 24.478 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.656 25.151 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.379 23.029 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.903 23.658 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.960 22.788 4.453 1.00 0.00 H new ATOM 663 N LEU A 43 10.736 26.284 1.656 1.00 0.00 N ATOM 664 CA LEU A 43 10.685 25.708 0.316 1.00 0.00 C ATOM 665 C LEU A 43 10.221 26.752 -0.704 1.00 0.00 C ATOM 666 O LEU A 43 9.027 27.030 -0.831 1.00 0.00 O ATOM 667 CB LEU A 43 9.744 24.505 0.280 1.00 0.00 C ATOM 668 CG LEU A 43 10.031 23.398 1.286 1.00 0.00 C ATOM 669 CD1 LEU A 43 9.027 22.274 1.147 1.00 0.00 C ATOM 670 CD2 LEU A 43 11.454 22.879 1.152 1.00 0.00 C ATOM 0 H LEU A 43 10.068 25.879 2.312 1.00 0.00 H new ATOM 0 HA LEU A 43 11.691 25.379 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.727 24.861 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.775 24.075 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 43 9.931 23.823 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.251 21.494 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.023 22.659 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.083 21.858 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.624 22.090 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.603 22.480 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.156 23.694 1.326 1.00 0.00 H new ATOM 682 N ARG A 44 11.163 27.374 -1.358 1.00 0.00 N ATOM 683 CA ARG A 44 10.874 28.363 -2.385 1.00 0.00 C ATOM 684 C ARG A 44 11.186 27.741 -3.729 1.00 0.00 C ATOM 685 O ARG A 44 10.650 28.129 -4.757 1.00 0.00 O ATOM 686 CB ARG A 44 11.759 29.603 -2.210 1.00 0.00 C ATOM 687 CG ARG A 44 11.832 30.157 -0.794 1.00 0.00 C ATOM 688 CD ARG A 44 10.472 30.513 -0.229 1.00 0.00 C ATOM 689 NE ARG A 44 10.583 30.938 1.169 1.00 0.00 N ATOM 690 CZ ARG A 44 9.566 31.013 2.040 1.00 0.00 C ATOM 691 NH1 ARG A 44 8.335 30.667 1.672 1.00 0.00 N ATOM 692 NH2 ARG A 44 9.793 31.419 3.282 1.00 0.00 N ATOM 0 H ARG A 44 12.158 27.216 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 44 9.829 28.663 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.769 29.357 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.391 30.388 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.308 29.421 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.466 31.044 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.025 31.311 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.807 29.652 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 44 11.509 31.198 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.159 30.342 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.567 30.727 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.738 31.673 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.023 31.478 3.948 1.00 0.00 H new ATOM 706 N MET A 45 12.064 26.769 -3.690 1.00 0.00 N ATOM 707 CA MET A 45 12.528 26.052 -4.832 1.00 0.00 C ATOM 708 C MET A 45 12.566 24.603 -4.443 1.00 0.00 C ATOM 709 O MET A 45 13.548 24.112 -3.864 1.00 0.00 O ATOM 710 CB MET A 45 13.932 26.518 -5.276 1.00 0.00 C ATOM 711 CG MET A 45 14.013 27.977 -5.716 1.00 0.00 C ATOM 712 SD MET A 45 15.670 28.466 -6.267 1.00 0.00 S ATOM 713 CE MET A 45 16.635 28.209 -4.779 1.00 0.00 C ATOM 0 H MET A 45 12.488 26.449 -2.819 1.00 0.00 H new ATOM 0 HA MET A 45 11.862 26.228 -5.677 1.00 0.00 H new ATOM 0 HB2 MET A 45 14.628 26.363 -4.452 1.00 0.00 H new ATOM 0 HB3 MET A 45 14.266 25.886 -6.099 1.00 0.00 H new ATOM 0 HG2 MET A 45 13.303 28.145 -6.526 1.00 0.00 H new ATOM 0 HG3 MET A 45 13.709 28.617 -4.888 1.00 0.00 H new ATOM 0 HE1 MET A 45 17.584 28.739 -4.864 1.00 0.00 H new ATOM 0 HE2 MET A 45 16.084 28.587 -3.918 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.825 27.144 -4.648 1.00 0.00 H new ATOM 723 N ALA A 46 11.460 23.962 -4.626 1.00 0.00 N ATOM 724 CA ALA A 46 11.336 22.562 -4.300 1.00 0.00 C ATOM 725 C ALA A 46 10.706 21.772 -5.440 1.00 0.00 C ATOM 726 O ALA A 46 10.330 20.615 -5.267 1.00 0.00 O ATOM 727 CB ALA A 46 10.524 22.399 -3.022 1.00 0.00 C ATOM 0 H ALA A 46 10.612 24.384 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 46 12.337 22.161 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.434 21.340 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.026 22.916 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.531 22.824 -3.165 1.00 0.00 H new ATOM 733 N VAL A 47 10.619 22.382 -6.602 1.00 0.00 N ATOM 734 CA VAL A 47 9.991 21.739 -7.751 1.00 0.00 C ATOM 735 C VAL A 47 10.908 20.641 -8.305 1.00 0.00 C ATOM 736 O VAL A 47 10.545 19.461 -8.344 1.00 0.00 O ATOM 737 CB VAL A 47 9.680 22.759 -8.876 1.00 0.00 C ATOM 738 CG1 VAL A 47 8.861 22.118 -9.988 1.00 0.00 C ATOM 739 CG2 VAL A 47 8.969 23.980 -8.328 1.00 0.00 C ATOM 0 H VAL A 47 10.973 23.321 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 47 9.051 21.304 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 47 10.632 23.082 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.658 22.857 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.419 21.286 -10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.919 21.751 -9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.764 24.677 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.030 23.677 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.601 24.465 -7.584 1.00 0.00 H new ATOM 749 N GLU A 48 12.091 21.037 -8.707 1.00 0.00 N ATOM 750 CA GLU A 48 13.097 20.138 -9.255 1.00 0.00 C ATOM 751 C GLU A 48 14.411 20.477 -8.606 1.00 0.00 C ATOM 752 O GLU A 48 15.192 21.278 -9.131 1.00 0.00 O ATOM 753 CB GLU A 48 13.223 20.327 -10.765 1.00 0.00 C ATOM 754 CG GLU A 48 11.956 20.072 -11.542 1.00 0.00 C ATOM 755 CD GLU A 48 12.081 20.514 -12.961 1.00 0.00 C ATOM 756 OE1 GLU A 48 12.494 19.715 -13.817 1.00 0.00 O ATOM 757 OE2 GLU A 48 11.778 21.688 -13.252 1.00 0.00 O ATOM 0 H GLU A 48 12.395 22.010 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 48 12.813 19.104 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.555 21.346 -10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.001 19.660 -11.137 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.718 19.009 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.127 20.598 -11.069 1.00 0.00 H new ATOM 764 N ASN A 49 14.622 19.965 -7.433 1.00 0.00 N ATOM 765 CA ASN A 49 15.794 20.324 -6.669 1.00 0.00 C ATOM 766 C ASN A 49 16.349 19.107 -5.972 1.00 0.00 C ATOM 767 O ASN A 49 15.582 18.319 -5.426 1.00 0.00 O ATOM 768 CB ASN A 49 15.455 21.441 -5.657 1.00 0.00 C ATOM 769 CG ASN A 49 15.064 22.756 -6.325 1.00 0.00 C ATOM 770 OD1 ASN A 49 13.894 22.978 -6.666 1.00 0.00 O ATOM 771 ND2 ASN A 49 16.013 23.631 -6.518 1.00 0.00 N ATOM 0 H ASN A 49 14.002 19.296 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 49 16.557 20.707 -7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.637 21.108 -5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.316 21.611 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.800 24.525 -6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.968 23.421 -6.227 1.00 0.00 H new ATOM 778 N PRO A 50 17.700 18.929 -5.993 1.00 0.00 N ATOM 779 CA PRO A 50 18.406 17.756 -5.437 1.00 0.00 C ATOM 780 C PRO A 50 17.863 17.262 -4.091 1.00 0.00 C ATOM 781 O PRO A 50 17.501 16.100 -3.955 1.00 0.00 O ATOM 782 CB PRO A 50 19.863 18.241 -5.282 1.00 0.00 C ATOM 783 CG PRO A 50 19.873 19.674 -5.717 1.00 0.00 C ATOM 784 CD PRO A 50 18.664 19.867 -6.580 1.00 0.00 C ATOM 0 HA PRO A 50 18.283 16.896 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 50 20.198 18.145 -4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 50 20.540 17.644 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.844 20.341 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 50 20.784 19.905 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.302 20.895 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.870 19.635 -7.625 1.00 0.00 H new ATOM 792 N LYS A 51 17.713 18.159 -3.140 1.00 0.00 N ATOM 793 CA LYS A 51 17.296 17.778 -1.799 1.00 0.00 C ATOM 794 C LYS A 51 15.822 17.458 -1.702 1.00 0.00 C ATOM 795 O LYS A 51 15.351 16.973 -0.677 1.00 0.00 O ATOM 796 CB LYS A 51 17.584 18.859 -0.825 1.00 0.00 C ATOM 797 CG LYS A 51 19.038 19.192 -0.651 1.00 0.00 C ATOM 798 CD LYS A 51 19.195 20.384 0.265 1.00 0.00 C ATOM 799 CE LYS A 51 18.504 20.166 1.612 1.00 0.00 C ATOM 800 NZ LYS A 51 19.057 19.017 2.355 1.00 0.00 N ATOM 0 H LYS A 51 17.873 19.158 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 51 17.867 16.879 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.057 19.760 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.175 18.572 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.568 18.334 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.488 19.407 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.255 20.579 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.779 21.269 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.604 21.067 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.438 20.009 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.589 18.945 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.894 18.143 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.079 19.152 2.493 1.00 0.00 H new ATOM 814 N GLN A 52 15.086 17.745 -2.728 1.00 0.00 N ATOM 815 CA GLN A 52 13.679 17.488 -2.692 1.00 0.00 C ATOM 816 C GLN A 52 13.366 16.253 -3.477 1.00 0.00 C ATOM 817 O GLN A 52 12.279 15.740 -3.400 1.00 0.00 O ATOM 818 CB GLN A 52 12.886 18.669 -3.226 1.00 0.00 C ATOM 819 CG GLN A 52 13.223 19.991 -2.557 1.00 0.00 C ATOM 820 CD GLN A 52 13.108 19.984 -1.036 1.00 0.00 C ATOM 821 OE1 GLN A 52 12.202 19.210 -0.489 1.00 0.00 O flip ATOM 822 NE2 GLN A 52 13.835 20.706 -0.365 1.00 0.00 N flip ATOM 0 H GLN A 52 15.431 18.155 -3.596 1.00 0.00 H new ATOM 0 HA GLN A 52 13.388 17.336 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.065 18.759 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.823 18.468 -3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 52 14.241 20.271 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.563 20.762 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.530 21.296 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.746 20.717 0.651 1.00 0.00 H new ATOM 831 N GLN A 53 14.342 15.781 -4.230 1.00 0.00 N ATOM 832 CA GLN A 53 14.189 14.571 -5.019 1.00 0.00 C ATOM 833 C GLN A 53 15.166 13.516 -4.536 1.00 0.00 C ATOM 834 O GLN A 53 15.312 12.437 -5.134 1.00 0.00 O ATOM 835 CB GLN A 53 14.385 14.863 -6.501 1.00 0.00 C ATOM 836 CG GLN A 53 15.734 15.447 -6.843 1.00 0.00 C ATOM 837 CD GLN A 53 15.845 15.847 -8.288 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.209 15.261 -9.166 1.00 0.00 O ATOM 839 NE2 GLN A 53 16.650 16.832 -8.551 1.00 0.00 N ATOM 0 H GLN A 53 15.258 16.222 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 53 13.175 14.191 -4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.248 13.939 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.609 15.554 -6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.918 16.318 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.510 14.717 -6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.158 17.291 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.774 17.147 -9.513 1.00 0.00 H new ATOM 848 N GLN A 54 15.810 13.824 -3.422 1.00 0.00 N ATOM 849 CA GLN A 54 16.771 12.936 -2.783 1.00 0.00 C ATOM 850 C GLN A 54 16.045 11.691 -2.289 1.00 0.00 C ATOM 851 O GLN A 54 16.595 10.596 -2.263 1.00 0.00 O ATOM 852 CB GLN A 54 17.451 13.658 -1.610 1.00 0.00 C ATOM 853 CG GLN A 54 16.502 14.041 -0.501 1.00 0.00 C ATOM 854 CD GLN A 54 17.198 14.756 0.641 1.00 0.00 C ATOM 855 OE1 GLN A 54 18.216 15.432 0.444 1.00 0.00 O ATOM 856 NE2 GLN A 54 16.655 14.650 1.820 1.00 0.00 N ATOM 0 H GLN A 54 15.680 14.708 -2.929 1.00 0.00 H new ATOM 0 HA GLN A 54 17.538 12.646 -3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 54 18.231 13.015 -1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 54 17.941 14.557 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.719 14.683 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.014 13.144 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.816 14.084 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.069 15.133 2.617 1.00 0.00 H new ATOM 865 N HIS A 55 14.763 11.879 -1.967 1.00 0.00 N ATOM 866 CA HIS A 55 13.900 10.819 -1.488 1.00 0.00 C ATOM 867 C HIS A 55 13.799 9.672 -2.469 1.00 0.00 C ATOM 868 O HIS A 55 13.600 8.547 -2.065 1.00 0.00 O ATOM 869 CB HIS A 55 12.492 11.335 -1.072 1.00 0.00 C ATOM 870 CG HIS A 55 11.745 12.170 -2.091 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.638 12.932 -1.795 1.00 0.00 N ATOM 872 CD2 HIS A 55 11.962 12.343 -3.409 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.231 13.522 -2.918 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.001 13.189 -3.935 1.00 0.00 N ATOM 0 H HIS A 55 14.299 12.785 -2.035 1.00 0.00 H new ATOM 0 HA HIS A 55 14.376 10.433 -0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.874 10.473 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.601 11.926 -0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.765 11.890 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.382 14.186 -2.986 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.908 13.491 -4.905 1.00 0.00 H new ATOM 882 N LEU A 56 13.994 9.949 -3.751 1.00 0.00 N ATOM 883 CA LEU A 56 13.929 8.909 -4.745 1.00 0.00 C ATOM 884 C LEU A 56 15.133 8.042 -4.625 1.00 0.00 C ATOM 885 O LEU A 56 15.022 6.831 -4.498 1.00 0.00 O ATOM 886 CB LEU A 56 13.918 9.435 -6.158 1.00 0.00 C ATOM 887 CG LEU A 56 14.073 8.317 -7.180 1.00 0.00 C ATOM 888 CD1 LEU A 56 12.801 7.545 -7.419 1.00 0.00 C ATOM 889 CD2 LEU A 56 14.765 8.758 -8.426 1.00 0.00 C ATOM 0 H LEU A 56 14.196 10.880 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 56 12.998 8.372 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.984 9.967 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.725 10.156 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 56 14.749 7.591 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.983 6.764 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.470 7.091 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.029 8.221 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.845 7.917 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.194 9.559 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.763 9.121 -8.179 1.00 0.00 H new ATOM 901 N SER A 57 16.280 8.681 -4.631 1.00 0.00 N ATOM 902 CA SER A 57 17.559 8.025 -4.589 1.00 0.00 C ATOM 903 C SER A 57 17.686 7.168 -3.320 1.00 0.00 C ATOM 904 O SER A 57 18.500 6.254 -3.244 1.00 0.00 O ATOM 905 CB SER A 57 18.621 9.107 -4.649 1.00 0.00 C ATOM 906 OG SER A 57 18.331 9.999 -5.735 1.00 0.00 O ATOM 0 H SER A 57 16.347 9.698 -4.666 1.00 0.00 H new ATOM 0 HA SER A 57 17.678 7.344 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.648 9.658 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.605 8.659 -4.785 1.00 0.00 H new ATOM 0 HG SER A 57 19.015 10.700 -5.774 1.00 0.00 H new ATOM 912 N LEU A 58 16.891 7.502 -2.332 1.00 0.00 N ATOM 913 CA LEU A 58 16.816 6.743 -1.108 1.00 0.00 C ATOM 914 C LEU A 58 15.744 5.635 -1.208 1.00 0.00 C ATOM 915 O LEU A 58 16.044 4.456 -1.066 1.00 0.00 O ATOM 916 CB LEU A 58 16.527 7.680 0.060 1.00 0.00 C ATOM 917 CG LEU A 58 17.468 8.883 0.165 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.004 9.834 1.237 1.00 0.00 C ATOM 919 CD2 LEU A 58 18.898 8.437 0.426 1.00 0.00 C ATOM 0 H LEU A 58 16.274 8.314 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 58 17.775 6.254 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.503 8.044 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.583 7.110 0.987 1.00 0.00 H new ATOM 0 HG LEU A 58 17.447 9.408 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.688 10.681 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.003 10.192 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 58 16.985 9.319 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.545 9.312 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 18.940 7.879 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.236 7.801 -0.392 1.00 0.00 H new ATOM 931 N CYS A 59 14.510 6.040 -1.488 1.00 0.00 N ATOM 932 CA CYS A 59 13.335 5.150 -1.525 1.00 0.00 C ATOM 933 C CYS A 59 13.435 4.096 -2.637 1.00 0.00 C ATOM 934 O CYS A 59 13.300 2.913 -2.370 1.00 0.00 O ATOM 935 CB CYS A 59 12.079 6.002 -1.708 1.00 0.00 C ATOM 936 SG CYS A 59 10.490 5.120 -1.784 1.00 0.00 S ATOM 0 H CYS A 59 14.285 7.012 -1.701 1.00 0.00 H new ATOM 0 HA CYS A 59 13.289 4.604 -0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.031 6.717 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.191 6.579 -2.626 1.00 0.00 H new ATOM 941 N CYS A 60 13.731 4.536 -3.868 1.00 0.00 N ATOM 942 CA CYS A 60 13.881 3.643 -5.034 1.00 0.00 C ATOM 943 C CYS A 60 14.971 2.656 -4.763 1.00 0.00 C ATOM 944 O CYS A 60 14.838 1.472 -5.017 1.00 0.00 O ATOM 945 CB CYS A 60 14.189 4.466 -6.310 1.00 0.00 C ATOM 946 SG CYS A 60 14.723 3.527 -7.799 1.00 0.00 S ATOM 0 H CYS A 60 13.874 5.522 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 60 12.948 3.105 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.296 5.035 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.968 5.189 -6.067 1.00 0.00 H new ATOM 951 N ASN A 61 16.003 3.149 -4.145 1.00 0.00 N ATOM 952 CA ASN A 61 17.166 2.332 -3.815 1.00 0.00 C ATOM 953 C ASN A 61 16.863 1.331 -2.709 1.00 0.00 C ATOM 954 O ASN A 61 17.456 0.268 -2.639 1.00 0.00 O ATOM 955 CB ASN A 61 18.309 3.223 -3.423 1.00 0.00 C ATOM 956 CG ASN A 61 19.603 2.469 -3.126 1.00 0.00 C ATOM 957 OD1 ASN A 61 19.894 2.131 -1.972 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.372 2.189 -4.148 1.00 0.00 N ATOM 0 H ASN A 61 16.077 4.123 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 61 17.439 1.756 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.492 3.938 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.024 3.798 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.242 1.676 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.101 2.483 -5.086 1.00 0.00 H new ATOM 965 N GLN A 62 15.936 1.672 -1.869 1.00 0.00 N ATOM 966 CA GLN A 62 15.553 0.819 -0.774 1.00 0.00 C ATOM 967 C GLN A 62 14.584 -0.270 -1.256 1.00 0.00 C ATOM 968 O GLN A 62 14.719 -1.450 -0.910 1.00 0.00 O ATOM 969 CB GLN A 62 14.916 1.678 0.326 1.00 0.00 C ATOM 970 CG GLN A 62 14.500 0.942 1.583 1.00 0.00 C ATOM 971 CD GLN A 62 15.646 0.281 2.332 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.457 -0.741 2.972 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.814 0.861 2.292 1.00 0.00 N ATOM 0 H GLN A 62 15.419 2.550 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 62 16.434 0.319 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.622 2.461 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.038 2.173 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.001 1.643 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.768 0.179 1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.941 1.714 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.600 0.461 2.805 1.00 0.00 H new ATOM 982 N LEU A 63 13.647 0.131 -2.087 1.00 0.00 N ATOM 983 CA LEU A 63 12.609 -0.759 -2.579 1.00 0.00 C ATOM 984 C LEU A 63 13.179 -1.758 -3.585 1.00 0.00 C ATOM 985 O LEU A 63 12.718 -2.875 -3.687 1.00 0.00 O ATOM 986 CB LEU A 63 11.464 0.071 -3.214 1.00 0.00 C ATOM 987 CG LEU A 63 11.751 0.762 -4.544 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.504 -0.144 -5.718 1.00 0.00 C ATOM 989 CD2 LEU A 63 10.965 2.025 -4.667 1.00 0.00 C ATOM 0 H LEU A 63 13.580 1.084 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 63 12.208 -1.327 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.608 -0.589 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.163 0.834 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 63 12.811 1.015 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.721 0.391 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.150 -1.019 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.461 -0.462 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.186 2.500 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.900 1.798 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.234 2.701 -3.855 1.00 0.00 H new ATOM 1001 N GLN A 64 14.190 -1.334 -4.320 1.00 0.00 N ATOM 1002 CA GLN A 64 14.787 -2.143 -5.377 1.00 0.00 C ATOM 1003 C GLN A 64 15.539 -3.347 -4.811 1.00 0.00 C ATOM 1004 O GLN A 64 15.886 -4.279 -5.544 1.00 0.00 O ATOM 1005 CB GLN A 64 15.721 -1.301 -6.253 1.00 0.00 C ATOM 1006 CG GLN A 64 16.994 -0.873 -5.556 1.00 0.00 C ATOM 1007 CD GLN A 64 17.979 -0.196 -6.484 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.976 1.021 -6.640 1.00 0.00 O ATOM 1009 NE2 GLN A 64 18.822 -0.978 -7.114 1.00 0.00 N ATOM 0 H GLN A 64 14.624 -0.418 -4.204 1.00 0.00 H new ATOM 0 HA GLN A 64 13.970 -2.516 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.981 -1.872 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.186 -0.413 -6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.744 -0.193 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.467 -1.747 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.796 -1.986 -6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.504 -0.578 -7.758 1.00 0.00 H new ATOM 1018 N GLU A 65 15.808 -3.319 -3.519 1.00 0.00 N ATOM 1019 CA GLU A 65 16.483 -4.419 -2.866 1.00 0.00 C ATOM 1020 C GLU A 65 15.475 -5.505 -2.547 1.00 0.00 C ATOM 1021 O GLU A 65 15.824 -6.690 -2.390 1.00 0.00 O ATOM 1022 CB GLU A 65 17.157 -3.958 -1.596 1.00 0.00 C ATOM 1023 CG GLU A 65 18.148 -2.836 -1.786 1.00 0.00 C ATOM 1024 CD GLU A 65 18.861 -2.515 -0.515 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.963 -3.050 -0.298 1.00 0.00 O ATOM 1026 OE2 GLU A 65 18.324 -1.764 0.319 1.00 0.00 O ATOM 0 H GLU A 65 15.568 -2.543 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 65 17.249 -4.809 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.392 -3.635 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.670 -4.806 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.873 -3.115 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.629 -1.948 -2.148 1.00 0.00 H new ATOM 1033 N VAL A 66 14.224 -5.093 -2.467 1.00 0.00 N ATOM 1034 CA VAL A 66 13.112 -5.985 -2.223 1.00 0.00 C ATOM 1035 C VAL A 66 12.904 -6.840 -3.490 1.00 0.00 C ATOM 1036 O VAL A 66 13.432 -6.503 -4.570 1.00 0.00 O ATOM 1037 CB VAL A 66 11.814 -5.157 -1.900 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.637 -6.030 -1.493 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.093 -4.132 -0.823 1.00 0.00 C ATOM 0 H VAL A 66 13.950 -4.116 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 66 13.320 -6.627 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 66 11.533 -4.652 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.772 -5.400 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.397 -6.718 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.897 -6.598 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.184 -3.569 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.424 -4.638 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.872 -3.450 -1.163 1.00 0.00 H new ATOM 1049 N GLU A 67 12.203 -7.949 -3.350 1.00 0.00 N ATOM 1050 CA GLU A 67 11.885 -8.840 -4.454 1.00 0.00 C ATOM 1051 C GLU A 67 11.293 -8.097 -5.644 1.00 0.00 C ATOM 1052 O GLU A 67 10.492 -7.182 -5.465 1.00 0.00 O ATOM 1053 CB GLU A 67 10.944 -9.922 -3.982 1.00 0.00 C ATOM 1054 CG GLU A 67 11.617 -10.944 -3.116 1.00 0.00 C ATOM 1055 CD GLU A 67 10.689 -12.030 -2.686 1.00 0.00 C ATOM 1056 OE1 GLU A 67 10.480 -12.979 -3.460 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.156 -11.967 -1.546 1.00 0.00 O ATOM 0 H GLU A 67 11.832 -8.263 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 67 12.817 -9.291 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.124 -9.466 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.506 -10.419 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.455 -11.381 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.030 -10.453 -2.235 1.00 0.00 H new ATOM 1064 N LYS A 68 11.685 -8.500 -6.852 1.00 0.00 N ATOM 1065 CA LYS A 68 11.248 -7.849 -8.098 1.00 0.00 C ATOM 1066 C LYS A 68 9.730 -7.784 -8.220 1.00 0.00 C ATOM 1067 O LYS A 68 9.182 -6.813 -8.725 1.00 0.00 O ATOM 1068 CB LYS A 68 11.854 -8.525 -9.340 1.00 0.00 C ATOM 1069 CG LYS A 68 11.617 -10.022 -9.417 1.00 0.00 C ATOM 1070 CD LYS A 68 12.075 -10.622 -10.727 1.00 0.00 C ATOM 1071 CE LYS A 68 11.166 -10.245 -11.889 1.00 0.00 C ATOM 1072 NZ LYS A 68 11.572 -10.925 -13.132 1.00 0.00 N ATOM 0 H LYS A 68 12.316 -9.288 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 68 11.620 -6.826 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.438 -8.057 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.928 -8.338 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.141 -10.511 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.554 -10.224 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.090 -10.288 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.109 -11.707 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.136 -10.509 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.192 -9.166 -12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.933 -10.647 -13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.546 -10.653 -13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.523 -11.955 -12.996 1.00 0.00 H new ATOM 1086 N GLN A 69 9.056 -8.785 -7.698 1.00 0.00 N ATOM 1087 CA GLN A 69 7.604 -8.841 -7.777 1.00 0.00 C ATOM 1088 C GLN A 69 6.970 -7.980 -6.675 1.00 0.00 C ATOM 1089 O GLN A 69 5.765 -7.768 -6.654 1.00 0.00 O ATOM 1090 CB GLN A 69 7.128 -10.298 -7.652 1.00 0.00 C ATOM 1091 CG GLN A 69 7.412 -10.917 -6.287 1.00 0.00 C ATOM 1092 CD GLN A 69 7.076 -12.390 -6.196 1.00 0.00 C ATOM 1093 OE1 GLN A 69 7.160 -13.133 -7.178 1.00 0.00 O ATOM 1094 NE2 GLN A 69 6.707 -12.823 -5.019 1.00 0.00 N ATOM 0 H GLN A 69 9.485 -9.573 -7.213 1.00 0.00 H new ATOM 0 HA GLN A 69 7.292 -8.446 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.056 -10.339 -7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.614 -10.898 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.467 -10.780 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.843 -10.378 -5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.650 -12.176 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.476 -13.808 -4.887 1.00 0.00 H new ATOM 1103 N CYS A 70 7.793 -7.479 -5.783 1.00 0.00 N ATOM 1104 CA CYS A 70 7.318 -6.749 -4.628 1.00 0.00 C ATOM 1105 C CYS A 70 7.799 -5.289 -4.613 1.00 0.00 C ATOM 1106 O CYS A 70 7.302 -4.485 -3.836 1.00 0.00 O ATOM 1107 CB CYS A 70 7.771 -7.477 -3.367 1.00 0.00 C ATOM 1108 SG CYS A 70 7.232 -9.230 -3.289 1.00 0.00 S ATOM 0 H CYS A 70 8.808 -7.565 -5.836 1.00 0.00 H new ATOM 0 HA CYS A 70 6.230 -6.712 -4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.859 -7.438 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.385 -6.949 -2.495 1.00 0.00 H new ATOM 1113 N GLN A 71 8.739 -4.956 -5.487 1.00 0.00 N ATOM 1114 CA GLN A 71 9.300 -3.588 -5.596 1.00 0.00 C ATOM 1115 C GLN A 71 8.226 -2.553 -5.883 1.00 0.00 C ATOM 1116 O GLN A 71 8.143 -1.536 -5.211 1.00 0.00 O ATOM 1117 CB GLN A 71 10.381 -3.565 -6.660 1.00 0.00 C ATOM 1118 CG GLN A 71 11.637 -4.289 -6.237 1.00 0.00 C ATOM 1119 CD GLN A 71 12.659 -4.416 -7.334 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.736 -3.588 -8.236 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.468 -5.426 -7.250 1.00 0.00 N ATOM 0 H GLN A 71 9.145 -5.618 -6.148 1.00 0.00 H new ATOM 0 HA GLN A 71 9.739 -3.322 -4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.995 -4.020 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.627 -2.530 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.084 -3.761 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.370 -5.285 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.372 -6.094 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.200 -5.553 -7.949 1.00 0.00 H new ATOM 1130 N CYS A 72 7.382 -2.813 -6.851 1.00 0.00 N ATOM 1131 CA CYS A 72 6.304 -1.893 -7.130 1.00 0.00 C ATOM 1132 C CYS A 72 5.205 -1.977 -6.102 1.00 0.00 C ATOM 1133 O CYS A 72 4.426 -1.037 -5.924 1.00 0.00 O ATOM 1134 CB CYS A 72 5.771 -2.027 -8.531 1.00 0.00 C ATOM 1135 SG CYS A 72 5.265 -3.688 -9.040 1.00 0.00 S ATOM 0 H CYS A 72 7.417 -3.638 -7.450 1.00 0.00 H new ATOM 0 HA CYS A 72 6.735 -0.894 -7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.915 -1.361 -8.637 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.536 -1.675 -9.223 1.00 0.00 H new ATOM 1140 N GLU A 73 5.122 -3.097 -5.436 1.00 0.00 N ATOM 1141 CA GLU A 73 4.125 -3.285 -4.407 1.00 0.00 C ATOM 1142 C GLU A 73 4.440 -2.379 -3.215 1.00 0.00 C ATOM 1143 O GLU A 73 3.539 -1.857 -2.538 1.00 0.00 O ATOM 1144 CB GLU A 73 4.070 -4.742 -3.966 1.00 0.00 C ATOM 1145 CG GLU A 73 3.756 -5.710 -5.087 1.00 0.00 C ATOM 1146 CD GLU A 73 2.437 -5.432 -5.749 1.00 0.00 C ATOM 1147 OE1 GLU A 73 2.400 -4.703 -6.752 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.416 -5.957 -5.297 1.00 0.00 O ATOM 0 H GLU A 73 5.734 -3.899 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 73 3.149 -3.019 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.028 -5.014 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.316 -4.847 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.549 -5.662 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.751 -6.726 -4.692 1.00 0.00 H new ATOM 1155 N ALA A 74 5.733 -2.162 -3.000 1.00 0.00 N ATOM 1156 CA ALA A 74 6.228 -1.303 -1.955 1.00 0.00 C ATOM 1157 C ALA A 74 5.700 0.117 -2.129 1.00 0.00 C ATOM 1158 O ALA A 74 5.450 0.815 -1.156 1.00 0.00 O ATOM 1159 CB ALA A 74 7.752 -1.306 -1.954 1.00 0.00 C ATOM 0 H ALA A 74 6.470 -2.589 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 74 5.874 -1.683 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.117 -0.654 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.114 -2.320 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.117 -0.946 -2.916 1.00 0.00 H new ATOM 1165 N ILE A 75 5.433 0.489 -3.384 1.00 0.00 N ATOM 1166 CA ILE A 75 5.001 1.831 -3.722 1.00 0.00 C ATOM 1167 C ILE A 75 3.595 2.039 -3.229 1.00 0.00 C ATOM 1168 O ILE A 75 3.226 3.125 -2.791 1.00 0.00 O ATOM 1169 CB ILE A 75 5.002 2.063 -5.249 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.331 1.627 -5.881 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.689 3.509 -5.567 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.562 2.230 -5.266 1.00 0.00 C ATOM 0 H ILE A 75 5.513 -0.136 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 75 5.696 2.528 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 75 4.219 1.443 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.407 0.542 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.312 1.882 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.694 3.653 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.706 3.764 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.441 4.153 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.447 1.859 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.519 3.316 -5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.615 1.954 -4.213 1.00 0.00 H new ATOM 1184 N LYS A 76 2.828 0.963 -3.250 1.00 0.00 N ATOM 1185 CA LYS A 76 1.451 1.007 -2.854 1.00 0.00 C ATOM 1186 C LYS A 76 1.428 1.307 -1.394 1.00 0.00 C ATOM 1187 O LYS A 76 0.731 2.227 -0.936 1.00 0.00 O ATOM 1188 CB LYS A 76 0.790 -0.350 -3.110 1.00 0.00 C ATOM 1189 CG LYS A 76 0.849 -0.818 -4.556 1.00 0.00 C ATOM 1190 CD LYS A 76 0.098 0.132 -5.466 1.00 0.00 C ATOM 1191 CE LYS A 76 0.030 -0.396 -6.887 1.00 0.00 C ATOM 1192 NZ LYS A 76 -0.923 0.349 -7.727 1.00 0.00 N ATOM 0 H LYS A 76 3.151 0.041 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 76 0.908 1.764 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.270 -1.098 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.254 -0.295 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.888 -0.889 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.422 -1.818 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.912 0.282 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.588 1.106 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.021 -0.344 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.256 -1.448 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.892 -0.020 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.884 0.237 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.667 1.357 -7.732 1.00 0.00 H new ATOM 1206 N GLN A 77 2.317 0.606 -0.705 1.00 0.00 N ATOM 1207 CA GLN A 77 2.442 0.682 0.726 1.00 0.00 C ATOM 1208 C GLN A 77 2.748 2.082 1.147 1.00 0.00 C ATOM 1209 O GLN A 77 2.099 2.587 2.035 1.00 0.00 O ATOM 1210 CB GLN A 77 3.527 -0.235 1.258 1.00 0.00 C ATOM 1211 CG GLN A 77 3.464 -1.647 0.734 1.00 0.00 C ATOM 1212 CD GLN A 77 4.047 -2.649 1.714 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.627 -3.809 1.762 1.00 0.00 O ATOM 1214 NE2 GLN A 77 4.984 -2.219 2.517 1.00 0.00 N ATOM 0 H GLN A 77 2.977 -0.038 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 77 1.487 0.361 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.499 0.189 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.462 -0.261 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.427 -1.909 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.006 -1.707 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.309 -1.254 2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.391 -2.848 3.209 1.00 0.00 H new ATOM 1223 N VAL A 78 3.712 2.724 0.451 1.00 0.00 N ATOM 1224 CA VAL A 78 4.125 4.096 0.775 1.00 0.00 C ATOM 1225 C VAL A 78 2.927 5.004 0.804 1.00 0.00 C ATOM 1226 O VAL A 78 2.757 5.768 1.728 1.00 0.00 O ATOM 1227 CB VAL A 78 5.116 4.724 -0.244 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.649 6.041 0.286 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.241 3.801 -0.609 1.00 0.00 C ATOM 0 H VAL A 78 4.214 2.311 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 78 4.622 4.012 1.742 1.00 0.00 H new ATOM 0 HB VAL A 78 4.557 4.906 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.342 6.471 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.820 6.730 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.168 5.870 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.900 4.295 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.806 3.543 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.836 2.893 -1.056 1.00 0.00 H new ATOM 1239 N VAL A 79 2.068 4.866 -0.186 1.00 0.00 N ATOM 1240 CA VAL A 79 0.937 5.751 -0.310 1.00 0.00 C ATOM 1241 C VAL A 79 -0.046 5.465 0.794 1.00 0.00 C ATOM 1242 O VAL A 79 -0.531 6.376 1.462 1.00 0.00 O ATOM 1243 CB VAL A 79 0.224 5.585 -1.656 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.861 6.643 -1.817 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.219 5.612 -2.807 1.00 0.00 C ATOM 0 H VAL A 79 2.134 4.152 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 79 1.311 6.773 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.261 4.609 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.358 6.511 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.591 6.541 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.411 7.635 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.687 5.492 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.749 6.564 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.935 4.799 -2.688 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.289 4.187 1.003 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.217 3.726 2.003 1.00 0.00 C ATOM 1257 C GLU A 80 -0.789 4.189 3.387 1.00 0.00 C ATOM 1258 O GLU A 80 -1.551 4.860 4.083 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.341 2.201 1.962 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.992 1.652 0.699 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.026 0.142 0.681 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -1.589 -0.475 -0.312 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.461 -0.465 1.677 1.00 0.00 O ATOM 0 H GLU A 80 0.158 3.437 0.477 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.194 4.156 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.347 1.766 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.920 1.873 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.009 2.037 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.447 2.011 -0.174 1.00 0.00 H new ATOM 1270 N GLN A 81 0.450 3.911 3.739 1.00 0.00 N ATOM 1271 CA GLN A 81 0.960 4.228 5.053 1.00 0.00 C ATOM 1272 C GLN A 81 1.139 5.746 5.248 1.00 0.00 C ATOM 1273 O GLN A 81 0.939 6.267 6.349 1.00 0.00 O ATOM 1274 CB GLN A 81 2.247 3.432 5.362 1.00 0.00 C ATOM 1275 CG GLN A 81 3.442 3.758 4.480 1.00 0.00 C ATOM 1276 CD GLN A 81 4.637 2.873 4.771 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.827 1.826 4.155 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.424 3.264 5.735 1.00 0.00 N ATOM 0 H GLN A 81 1.127 3.461 3.124 1.00 0.00 H new ATOM 0 HA GLN A 81 0.213 3.915 5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.524 3.611 6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.027 2.368 5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.158 3.647 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.723 4.801 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.235 4.139 6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.228 2.695 6.000 1.00 0.00 H new ATOM 1287 N ALA A 82 1.454 6.453 4.179 1.00 0.00 N ATOM 1288 CA ALA A 82 1.623 7.896 4.252 1.00 0.00 C ATOM 1289 C ALA A 82 0.293 8.594 4.429 1.00 0.00 C ATOM 1290 O ALA A 82 0.170 9.524 5.231 1.00 0.00 O ATOM 1291 CB ALA A 82 2.330 8.435 3.021 1.00 0.00 C ATOM 0 H ALA A 82 1.598 6.055 3.251 1.00 0.00 H new ATOM 0 HA ALA A 82 2.244 8.102 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.440 9.516 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.315 7.976 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.743 8.201 2.133 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.714 8.133 3.716 1.00 0.00 N ATOM 1298 CA GLN A 83 -1.996 8.776 3.785 1.00 0.00 C ATOM 1299 C GLN A 83 -2.650 8.487 5.114 1.00 0.00 C ATOM 1300 O GLN A 83 -3.235 9.370 5.710 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.924 8.406 2.605 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.488 6.990 2.612 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.362 6.704 1.406 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.465 5.460 1.038 1.00 0.00 O flip ATOM 1305 NE2 GLN A 83 -4.990 7.608 0.839 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.665 7.327 3.093 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.824 9.849 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.758 9.107 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.372 8.550 1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.665 6.275 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.070 6.839 3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.888 8.574 1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.610 7.387 0.060 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.480 7.264 5.614 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.100 6.870 6.865 1.00 0.00 C ATOM 1316 C LYS A 84 -2.492 7.594 8.049 1.00 0.00 C ATOM 1317 O LYS A 84 -3.195 7.923 9.002 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.105 5.328 7.050 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.742 4.648 7.158 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.132 4.722 8.533 1.00 0.00 C ATOM 1321 CE LYS A 84 0.162 3.936 8.567 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.816 3.988 9.872 1.00 0.00 N ATOM 0 H LYS A 84 -1.920 6.536 5.170 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.144 7.178 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.674 5.095 7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.641 4.886 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.845 3.601 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.060 5.108 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.943 5.762 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.829 4.324 9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.041 2.897 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.840 4.327 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.696 3.435 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.036 4.976 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.182 3.590 10.594 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.199 7.901 7.964 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.517 8.537 9.072 1.00 0.00 C ATOM 1338 C GLN A 85 -0.992 9.986 9.209 1.00 0.00 C ATOM 1339 O GLN A 85 -1.017 10.558 10.299 1.00 0.00 O ATOM 1340 CB GLN A 85 1.013 8.446 8.921 1.00 0.00 C ATOM 1341 CG GLN A 85 1.646 9.478 7.995 1.00 0.00 C ATOM 1342 CD GLN A 85 3.170 9.480 8.002 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.805 9.832 7.007 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.767 9.121 9.110 1.00 0.00 N ATOM 0 H GLN A 85 -0.615 7.720 7.148 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.769 8.005 9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.464 8.545 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.265 7.451 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.300 9.296 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.292 10.469 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.214 8.834 9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.785 9.128 9.166 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.387 10.561 8.097 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.937 11.893 8.098 1.00 0.00 C ATOM 1355 C LEU A 86 -3.435 11.864 8.374 1.00 0.00 C ATOM 1356 O LEU A 86 -3.956 12.709 9.113 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.584 12.631 6.795 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.345 13.530 6.844 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.585 14.684 7.781 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.875 12.767 7.297 1.00 0.00 C ATOM 0 H LEU A 86 -1.337 10.123 7.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.483 12.459 8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.439 11.890 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.439 13.241 6.504 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.164 13.900 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.301 15.319 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.437 15.266 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.792 14.304 8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.735 13.436 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.702 12.364 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.070 11.949 6.604 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.093 10.852 7.832 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.536 10.615 7.973 1.00 0.00 C ATOM 1374 C GLN A 87 -5.936 10.477 9.442 1.00 0.00 C ATOM 1375 O GLN A 87 -7.009 10.926 9.853 1.00 0.00 O ATOM 1376 CB GLN A 87 -5.887 9.322 7.234 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.351 8.945 7.220 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.582 7.603 6.553 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -6.723 6.709 6.587 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.723 7.438 5.958 1.00 0.00 N ATOM 0 H GLN A 87 -3.630 10.145 7.261 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.075 11.465 7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.545 9.412 6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.326 8.504 7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.727 8.912 8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.919 9.714 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.407 8.194 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.936 6.552 5.499 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.072 9.862 10.228 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.338 9.631 11.649 1.00 0.00 C ATOM 1391 C GLN A 88 -5.060 10.887 12.478 1.00 0.00 C ATOM 1392 O GLN A 88 -5.405 10.957 13.670 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.486 8.470 12.167 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.986 8.737 12.131 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.138 7.571 12.610 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.563 6.367 12.359 1.00 0.00 O flip ATOM 1397 NE2 GLN A 88 -1.059 7.771 13.170 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.170 9.508 9.909 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.393 9.379 11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.780 8.246 13.192 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.701 7.582 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.697 8.988 11.111 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.768 9.609 12.748 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.749 8.725 13.355 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.475 6.982 13.449 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.459 11.862 11.856 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.095 13.057 12.552 1.00 0.00 C ATOM 1408 C GLY A 89 -4.856 14.271 12.078 1.00 0.00 C ATOM 1409 O GLY A 89 -6.083 14.333 12.188 1.00 0.00 O ATOM 0 H GLY A 89 -4.212 11.850 10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.272 12.918 13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.027 13.233 12.426 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.123 15.197 11.516 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.627 16.492 11.092 1.00 0.00 C ATOM 1415 C GLN A 90 -5.515 16.366 9.877 1.00 0.00 C ATOM 1416 O GLN A 90 -6.572 16.988 9.787 1.00 0.00 O ATOM 1417 CB GLN A 90 -3.462 17.434 10.701 1.00 0.00 C ATOM 1418 CG GLN A 90 -2.283 17.499 11.668 1.00 0.00 C ATOM 1419 CD GLN A 90 -1.228 16.396 11.458 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -1.525 15.280 11.009 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -0.004 16.708 11.758 1.00 0.00 N ATOM 0 H GLN A 90 -3.127 15.074 11.332 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.190 16.895 11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.086 17.125 9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.863 18.441 10.584 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.800 18.471 11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.661 17.434 12.688 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.211 17.635 12.126 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.743 16.026 11.626 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.070 15.569 8.966 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.676 15.453 7.678 1.00 0.00 C ATOM 1432 C GLY A 91 -4.582 15.273 6.700 1.00 0.00 C ATOM 1433 O GLY A 91 -4.234 14.157 6.373 1.00 0.00 O ATOM 0 H GLY A 91 -4.258 14.966 9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.362 14.606 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.259 16.344 7.445 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.023 16.372 6.236 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.838 16.354 5.417 1.00 0.00 C ATOM 1439 C GLY A 92 -3.036 15.907 4.014 1.00 0.00 C ATOM 1440 O GLY A 92 -2.528 16.536 3.129 1.00 0.00 O ATOM 0 H GLY A 92 -4.385 17.308 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.412 17.357 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.102 15.701 5.887 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.780 14.848 3.818 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.029 14.220 2.524 1.00 0.00 C ATOM 1446 C GLN A 93 -4.342 15.221 1.403 1.00 0.00 C ATOM 1447 O GLN A 93 -3.993 14.987 0.264 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.147 13.196 2.657 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.801 12.007 3.537 1.00 0.00 C ATOM 1450 CD GLN A 93 -5.938 11.011 3.639 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -5.982 10.076 2.732 1.00 0.00 O flip ATOM 1452 NE2 GLN A 93 -6.794 11.104 4.525 1.00 0.00 N flip ATOM 0 H GLN A 93 -4.255 14.371 4.584 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.103 13.726 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.030 13.689 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.413 12.834 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.919 11.507 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.541 12.361 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.730 11.848 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.565 10.437 4.562 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.954 16.338 1.737 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.263 17.357 0.746 1.00 0.00 C ATOM 1463 C GLN A 94 -4.002 18.157 0.351 1.00 0.00 C ATOM 1464 O GLN A 94 -3.772 18.426 -0.819 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.348 18.304 1.258 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.967 19.054 2.523 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.021 20.051 2.955 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.931 19.730 3.724 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -6.913 21.253 2.475 1.00 0.00 N ATOM 0 H GLN A 94 -5.249 16.567 2.686 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.635 16.847 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.584 19.026 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.256 17.731 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.799 18.338 3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.024 19.577 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.147 21.482 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.594 21.968 2.732 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.176 18.488 1.333 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.989 19.296 1.104 1.00 0.00 C ATOM 1480 C GLN A 95 -0.829 18.415 0.674 1.00 0.00 C ATOM 1481 O GLN A 95 -0.113 18.713 -0.276 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.632 20.135 2.348 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.324 19.363 3.605 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.970 20.269 4.760 1.00 0.00 C ATOM 1485 OE1 GLN A 95 0.202 20.606 4.972 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -1.961 20.674 5.508 1.00 0.00 N ATOM 0 H GLN A 95 -3.309 18.206 2.304 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.201 19.997 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.769 20.755 2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.462 20.810 2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.186 18.753 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.497 18.679 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.913 20.373 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.783 21.291 6.300 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.704 17.313 1.366 1.00 0.00 N ATOM 1496 CA VAL A 96 0.288 16.276 1.140 1.00 0.00 C ATOM 1497 C VAL A 96 0.085 15.629 -0.229 1.00 0.00 C ATOM 1498 O VAL A 96 1.027 15.080 -0.800 1.00 0.00 O ATOM 1499 CB VAL A 96 0.207 15.200 2.279 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.111 14.018 2.038 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.527 15.816 3.630 1.00 0.00 C ATOM 0 H VAL A 96 -1.323 17.096 2.147 1.00 0.00 H new ATOM 0 HA VAL A 96 1.280 16.728 1.157 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.820 14.834 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.010 13.309 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.833 13.532 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.145 14.357 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.464 15.050 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.535 16.231 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.188 16.610 3.847 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.143 15.735 -0.756 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.529 15.136 -2.051 1.00 0.00 C ATOM 1513 C GLN A 97 -0.494 15.380 -3.150 1.00 0.00 C ATOM 1514 O GLN A 97 -0.110 14.445 -3.860 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.870 15.675 -2.511 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.350 15.083 -3.821 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.712 15.591 -4.225 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.088 16.719 -3.910 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.464 14.778 -4.911 1.00 0.00 N ATOM 0 H GLN A 97 -1.902 16.239 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.592 14.061 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.614 15.478 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.799 16.758 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.631 15.318 -4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.383 13.997 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.120 13.849 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.396 15.070 -5.204 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.021 16.615 -3.249 1.00 0.00 N ATOM 1529 CA GLN A 98 0.936 17.001 -4.281 1.00 0.00 C ATOM 1530 C GLN A 98 2.294 16.335 -4.096 1.00 0.00 C ATOM 1531 O GLN A 98 3.053 16.190 -5.049 1.00 0.00 O ATOM 1532 CB GLN A 98 1.110 18.521 -4.343 1.00 0.00 C ATOM 1533 CG GLN A 98 1.537 19.151 -3.035 1.00 0.00 C ATOM 1534 CD GLN A 98 1.784 20.631 -3.161 1.00 0.00 C ATOM 1535 OE1 GLN A 98 0.876 21.439 -3.005 1.00 0.00 O ATOM 1536 NE2 GLN A 98 3.002 21.003 -3.425 1.00 0.00 N ATOM 0 H GLN A 98 -0.287 17.374 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 98 0.518 16.652 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.850 18.760 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.169 18.970 -4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.767 18.977 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.445 18.663 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.734 20.303 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.226 21.995 -3.508 1.00 0.00 H new ATOM 1545 N MET A 99 2.590 15.905 -2.902 1.00 0.00 N ATOM 1546 CA MET A 99 3.885 15.331 -2.629 1.00 0.00 C ATOM 1547 C MET A 99 3.785 13.845 -2.760 1.00 0.00 C ATOM 1548 O MET A 99 4.565 13.224 -3.463 1.00 0.00 O ATOM 1549 CB MET A 99 4.351 15.704 -1.232 1.00 0.00 C ATOM 1550 CG MET A 99 5.858 15.728 -1.026 1.00 0.00 C ATOM 1551 SD MET A 99 6.701 17.065 -1.893 1.00 0.00 S ATOM 1552 CE MET A 99 8.380 16.816 -1.307 1.00 0.00 C ATOM 0 H MET A 99 1.958 15.939 -2.102 1.00 0.00 H new ATOM 0 HA MET A 99 4.614 15.719 -3.341 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.953 16.689 -0.987 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.917 14.999 -0.523 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.066 15.813 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.274 14.776 -1.357 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.035 17.566 -1.751 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.404 16.910 -0.221 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.721 15.821 -1.593 1.00 0.00 H new ATOM 1562 N VAL A 100 2.795 13.289 -2.115 1.00 0.00 N ATOM 1563 CA VAL A 100 2.567 11.853 -2.149 1.00 0.00 C ATOM 1564 C VAL A 100 2.282 11.350 -3.584 1.00 0.00 C ATOM 1565 O VAL A 100 2.611 10.228 -3.925 1.00 0.00 O ATOM 1566 CB VAL A 100 1.460 11.390 -1.145 1.00 0.00 C ATOM 1567 CG1 VAL A 100 0.114 12.013 -1.449 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.355 9.879 -1.112 1.00 0.00 C ATOM 0 H VAL A 100 2.122 13.808 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 100 3.496 11.390 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 100 1.762 11.739 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.621 11.661 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.193 13.098 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.200 11.728 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.578 9.584 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.102 9.510 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.309 9.455 -0.800 1.00 0.00 H new ATOM 1578 N LYS A 101 1.717 12.210 -4.439 1.00 0.00 N ATOM 1579 CA LYS A 101 1.459 11.836 -5.832 1.00 0.00 C ATOM 1580 C LYS A 101 2.743 11.465 -6.602 1.00 0.00 C ATOM 1581 O LYS A 101 2.693 10.716 -7.573 1.00 0.00 O ATOM 1582 CB LYS A 101 0.622 12.913 -6.553 1.00 0.00 C ATOM 1583 CG LYS A 101 1.274 14.271 -6.837 1.00 0.00 C ATOM 1584 CD LYS A 101 2.178 14.260 -8.064 1.00 0.00 C ATOM 1585 CE LYS A 101 2.598 15.666 -8.472 1.00 0.00 C ATOM 1586 NZ LYS A 101 1.457 16.486 -8.972 1.00 0.00 N ATOM 0 H LYS A 101 1.433 13.159 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 101 0.863 10.924 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.293 12.496 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.273 13.092 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.494 15.019 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.857 14.576 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.065 13.662 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.658 13.781 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.053 16.167 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.361 15.602 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.823 17.325 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.884 15.919 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.868 16.787 -8.170 1.00 0.00 H new ATOM 1600 N LYS A 102 3.895 11.985 -6.145 1.00 0.00 N ATOM 1601 CA LYS A 102 5.197 11.663 -6.768 1.00 0.00 C ATOM 1602 C LYS A 102 5.457 10.197 -6.629 1.00 0.00 C ATOM 1603 O LYS A 102 5.996 9.566 -7.526 1.00 0.00 O ATOM 1604 CB LYS A 102 6.337 12.361 -6.070 1.00 0.00 C ATOM 1605 CG LYS A 102 6.263 13.848 -6.033 1.00 0.00 C ATOM 1606 CD LYS A 102 7.367 14.360 -5.153 1.00 0.00 C ATOM 1607 CE LYS A 102 7.236 15.821 -4.911 1.00 0.00 C ATOM 1608 NZ LYS A 102 7.449 16.633 -6.134 1.00 0.00 N ATOM 0 H LYS A 102 3.955 12.625 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 102 5.144 11.982 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.390 11.993 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.268 12.075 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.360 14.257 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.294 14.169 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.351 13.829 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.331 14.152 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.244 16.030 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.956 16.124 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.379 17.643 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.393 16.434 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.725 16.392 -6.841 1.00 0.00 H new ATOM 1622 N ALA A 103 5.067 9.667 -5.474 1.00 0.00 N ATOM 1623 CA ALA A 103 5.219 8.231 -5.162 1.00 0.00 C ATOM 1624 C ALA A 103 4.628 7.354 -6.258 1.00 0.00 C ATOM 1625 O ALA A 103 5.193 6.339 -6.611 1.00 0.00 O ATOM 1626 CB ALA A 103 4.586 7.877 -3.826 1.00 0.00 C ATOM 0 H ALA A 103 4.637 10.209 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 103 6.290 8.038 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.718 6.813 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.063 8.453 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.522 8.111 -3.854 1.00 0.00 H new ATOM 1632 N GLN A 104 3.534 7.806 -6.856 1.00 0.00 N ATOM 1633 CA GLN A 104 2.851 7.045 -7.900 1.00 0.00 C ATOM 1634 C GLN A 104 3.700 6.961 -9.170 1.00 0.00 C ATOM 1635 O GLN A 104 3.452 6.139 -10.045 1.00 0.00 O ATOM 1636 CB GLN A 104 1.513 7.686 -8.242 1.00 0.00 C ATOM 1637 CG GLN A 104 0.557 7.820 -7.077 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.785 8.364 -7.512 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.231 8.143 -8.640 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.433 9.065 -6.642 1.00 0.00 N ATOM 0 H GLN A 104 3.097 8.701 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 104 2.688 6.039 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.697 8.676 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.032 7.096 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.419 6.847 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.990 8.480 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.033 9.228 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.345 9.456 -6.879 1.00 0.00 H new ATOM 1649 N MET A 105 4.684 7.824 -9.279 1.00 0.00 N ATOM 1650 CA MET A 105 5.549 7.866 -10.448 1.00 0.00 C ATOM 1651 C MET A 105 6.753 6.993 -10.226 1.00 0.00 C ATOM 1652 O MET A 105 7.476 6.682 -11.159 1.00 0.00 O ATOM 1653 CB MET A 105 6.035 9.268 -10.723 1.00 0.00 C ATOM 1654 CG MET A 105 4.940 10.309 -10.742 1.00 0.00 C ATOM 1655 SD MET A 105 5.544 11.946 -11.216 1.00 0.00 S ATOM 1656 CE MET A 105 4.016 12.880 -11.196 1.00 0.00 C ATOM 0 H MET A 105 4.911 8.517 -8.566 1.00 0.00 H new ATOM 0 HA MET A 105 4.965 7.513 -11.298 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.768 9.542 -9.965 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.550 9.280 -11.684 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.160 9.998 -11.438 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.482 10.367 -9.755 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.219 13.916 -11.468 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.316 12.448 -11.911 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.582 12.846 -10.197 1.00 0.00 H new ATOM 1666 N LEU A 106 6.973 6.611 -8.984 1.00 0.00 N ATOM 1667 CA LEU A 106 8.111 5.774 -8.607 1.00 0.00 C ATOM 1668 C LEU A 106 8.227 4.489 -9.416 1.00 0.00 C ATOM 1669 O LEU A 106 9.304 4.188 -9.869 1.00 0.00 O ATOM 1670 CB LEU A 106 8.196 5.510 -7.098 1.00 0.00 C ATOM 1671 CG LEU A 106 9.033 6.508 -6.266 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.679 7.955 -6.566 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.866 6.220 -4.789 1.00 0.00 C ATOM 0 H LEU A 106 6.371 6.869 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 106 8.984 6.372 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.183 5.498 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.609 4.512 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 106 10.077 6.371 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.296 8.615 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.860 8.163 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.627 8.127 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.459 6.928 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.815 6.319 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.203 5.205 -4.576 1.00 0.00 H new ATOM 1685 N PRO A 107 7.140 3.710 -9.654 1.00 0.00 N ATOM 1686 CA PRO A 107 7.238 2.523 -10.488 1.00 0.00 C ATOM 1687 C PRO A 107 7.663 2.856 -11.912 1.00 0.00 C ATOM 1688 O PRO A 107 8.316 2.058 -12.566 1.00 0.00 O ATOM 1689 CB PRO A 107 5.839 1.904 -10.446 1.00 0.00 C ATOM 1690 CG PRO A 107 4.948 3.000 -9.997 1.00 0.00 C ATOM 1691 CD PRO A 107 5.780 3.862 -9.101 1.00 0.00 C ATOM 0 HA PRO A 107 8.003 1.837 -10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.543 1.531 -11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.802 1.059 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.570 3.569 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.081 2.606 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.451 4.901 -9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.728 3.532 -8.063 1.00 0.00 H new ATOM 1699 N ASN A 108 7.369 4.056 -12.349 1.00 0.00 N ATOM 1700 CA ASN A 108 7.707 4.485 -13.656 1.00 0.00 C ATOM 1701 C ASN A 108 9.149 4.982 -13.693 1.00 0.00 C ATOM 1702 O ASN A 108 9.917 4.652 -14.600 1.00 0.00 O ATOM 1703 CB ASN A 108 6.752 5.592 -14.072 1.00 0.00 C ATOM 1704 CG ASN A 108 5.329 5.120 -14.342 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.485 5.061 -13.435 1.00 0.00 O ATOM 1706 ND2 ASN A 108 5.040 4.814 -15.576 1.00 0.00 N ATOM 0 H ASN A 108 6.884 4.758 -11.791 1.00 0.00 H new ATOM 0 HA ASN A 108 7.620 3.650 -14.351 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.729 6.350 -13.289 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.140 6.073 -14.970 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.096 4.515 -15.820 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.758 4.873 -16.298 1.00 0.00 H new ATOM 1713 N GLN A 109 9.527 5.739 -12.682 1.00 0.00 N ATOM 1714 CA GLN A 109 10.851 6.342 -12.622 1.00 0.00 C ATOM 1715 C GLN A 109 11.921 5.358 -12.154 1.00 0.00 C ATOM 1716 O GLN A 109 13.022 5.332 -12.679 1.00 0.00 O ATOM 1717 CB GLN A 109 10.849 7.594 -11.736 1.00 0.00 C ATOM 1718 CG GLN A 109 9.909 8.702 -12.208 1.00 0.00 C ATOM 1719 CD GLN A 109 10.107 9.050 -13.672 1.00 0.00 C ATOM 1720 OE1 GLN A 109 10.935 9.878 -14.019 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.315 8.467 -14.529 1.00 0.00 N ATOM 0 H GLN A 109 8.932 5.955 -11.882 1.00 0.00 H new ATOM 0 HA GLN A 109 11.105 6.635 -13.641 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.571 7.306 -10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.863 7.991 -11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 109 8.877 8.390 -12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.070 9.593 -11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.634 7.779 -14.208 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.377 8.699 -15.520 1.00 0.00 H new ATOM 1730 N CYS A 110 11.582 4.529 -11.206 1.00 0.00 N ATOM 1731 CA CYS A 110 12.525 3.565 -10.637 1.00 0.00 C ATOM 1732 C CYS A 110 12.630 2.348 -11.557 1.00 0.00 C ATOM 1733 O CYS A 110 13.448 1.460 -11.337 1.00 0.00 O ATOM 1734 CB CYS A 110 12.046 3.149 -9.231 1.00 0.00 C ATOM 1735 SG CYS A 110 13.234 2.209 -8.199 1.00 0.00 S ATOM 0 H CYS A 110 10.649 4.491 -10.796 1.00 0.00 H new ATOM 0 HA CYS A 110 13.512 4.018 -10.549 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.763 4.051 -8.688 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.144 2.548 -9.343 1.00 0.00 H new ATOM 1740 N ASN A 111 11.785 2.333 -12.602 1.00 0.00 N ATOM 1741 CA ASN A 111 11.746 1.252 -13.593 1.00 0.00 C ATOM 1742 C ASN A 111 11.317 -0.040 -12.929 1.00 0.00 C ATOM 1743 O ASN A 111 12.054 -1.026 -12.840 1.00 0.00 O ATOM 1744 CB ASN A 111 13.080 1.107 -14.370 1.00 0.00 C ATOM 1745 CG ASN A 111 13.060 0.000 -15.426 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.012 -0.338 -15.986 1.00 0.00 O ATOM 1747 ND2 ASN A 111 14.203 -0.562 -15.712 1.00 0.00 N ATOM 0 H ASN A 111 11.108 3.075 -12.781 1.00 0.00 H new ATOM 0 HA ASN A 111 11.003 1.510 -14.347 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.313 2.055 -14.855 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.883 0.906 -13.661 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.247 -1.301 -16.414 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.052 -0.262 -15.233 1.00 0.00 H new ATOM 1754 N LEU A 112 10.157 0.030 -12.366 1.00 0.00 N ATOM 1755 CA LEU A 112 9.546 -1.092 -11.719 1.00 0.00 C ATOM 1756 C LEU A 112 8.532 -1.685 -12.662 1.00 0.00 C ATOM 1757 O LEU A 112 8.052 -0.995 -13.571 1.00 0.00 O ATOM 1758 CB LEU A 112 8.897 -0.670 -10.400 1.00 0.00 C ATOM 1759 CG LEU A 112 9.813 0.111 -9.452 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.108 0.468 -8.148 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.100 -0.658 -9.190 1.00 0.00 C ATOM 0 H LEU A 112 9.595 0.880 -12.340 1.00 0.00 H new ATOM 0 HA LEU A 112 10.300 -1.841 -11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.022 -0.059 -10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.541 -1.562 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 112 10.071 1.049 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.792 1.021 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.235 1.084 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.793 -0.445 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.735 -0.085 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.863 -1.620 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.625 -0.820 -10.131 1.00 0.00 H new ATOM 1773 N GLN A 113 8.192 -2.926 -12.453 1.00 0.00 N ATOM 1774 CA GLN A 113 7.313 -3.676 -13.364 1.00 0.00 C ATOM 1775 C GLN A 113 5.846 -3.383 -13.079 1.00 0.00 C ATOM 1776 O GLN A 113 4.998 -4.275 -13.079 1.00 0.00 O ATOM 1777 CB GLN A 113 7.606 -5.159 -13.209 1.00 0.00 C ATOM 1778 CG GLN A 113 9.088 -5.484 -13.308 1.00 0.00 C ATOM 1779 CD GLN A 113 9.720 -5.184 -14.677 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.301 -4.274 -15.415 1.00 0.00 O ATOM 1781 NE2 GLN A 113 10.730 -5.926 -15.018 1.00 0.00 N ATOM 0 H GLN A 113 8.508 -3.466 -11.647 1.00 0.00 H new ATOM 0 HA GLN A 113 7.509 -3.367 -14.391 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.228 -5.500 -12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.066 -5.713 -13.977 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.622 -4.919 -12.544 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.231 -6.540 -13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.053 -6.665 -14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.200 -5.769 -15.910 1.00 0.00 H new ATOM 1790 N CYS A 114 5.569 -2.131 -12.917 1.00 0.00 N ATOM 1791 CA CYS A 114 4.289 -1.617 -12.568 1.00 0.00 C ATOM 1792 C CYS A 114 4.230 -0.174 -13.016 1.00 0.00 C ATOM 1793 O CYS A 114 5.276 0.444 -13.272 1.00 0.00 O ATOM 1794 CB CYS A 114 4.116 -1.685 -11.053 1.00 0.00 C ATOM 1795 SG CYS A 114 3.746 -3.334 -10.347 1.00 0.00 S ATOM 0 H CYS A 114 6.271 -1.400 -13.032 1.00 0.00 H new ATOM 0 HA CYS A 114 3.499 -2.197 -13.045 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.028 -1.312 -10.588 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.313 -1.005 -10.770 1.00 0.00 H new ATOM 1800 N SER A 115 3.048 0.352 -13.146 1.00 0.00 N ATOM 1801 CA SER A 115 2.840 1.732 -13.503 1.00 0.00 C ATOM 1802 C SER A 115 1.546 2.203 -12.858 1.00 0.00 C ATOM 1803 O SER A 115 0.552 1.473 -12.854 1.00 0.00 O ATOM 1804 CB SER A 115 2.776 1.885 -15.026 1.00 0.00 C ATOM 1805 OG SER A 115 3.984 1.434 -15.639 1.00 0.00 O ATOM 0 H SER A 115 2.184 -0.171 -13.005 1.00 0.00 H new ATOM 0 HA SER A 115 3.671 2.341 -13.145 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.932 1.316 -15.417 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.602 2.930 -15.283 1.00 0.00 H new ATOM 0 HG SER A 115 3.917 1.541 -16.611 1.00 0.00 H new ATOM 1811 N ILE A 116 1.561 3.373 -12.283 1.00 0.00 N ATOM 1812 CA ILE A 116 0.391 3.891 -11.621 1.00 0.00 C ATOM 1813 C ILE A 116 -0.162 5.045 -12.430 1.00 0.00 C ATOM 1814 O ILE A 116 -1.141 4.843 -13.171 1.00 0.00 O ATOM 1815 CB ILE A 116 0.698 4.318 -10.156 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.241 3.105 -9.383 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.570 4.849 -9.479 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.751 3.390 -7.994 1.00 0.00 C ATOM 1819 OXT ILE A 116 0.432 6.131 -12.414 1.00 0.00 O ATOM 0 H ILE A 116 2.373 3.990 -12.258 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.359 3.103 -11.560 1.00 0.00 H new ATOM 0 HB ILE A 116 1.443 5.113 -10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.450 2.358 -9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.050 2.660 -9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.340 5.144 -8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.942 5.713 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.331 4.069 -9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.109 2.466 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.569 4.109 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.944 3.802 -7.388 1.00 0.00 H new TER 1831 ILE A 116