USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 40 THR OG1 : rot 130:sc= 0.396 USER MOD Set 1.2: A 48 ASN : amide:sc= 0.642 K(o=1,f=-5.3!) USER MOD Set 2.1: A 32 MET CE :methyl 158:sc= -0.207 (180deg=-0.807) USER MOD Set 2.2: A 97 ASN : amide:sc= 1.27 K(o=1.1,f=-0.31) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.37 (180deg=0.591) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.0303 (180deg=-0.394) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.679) USER MOD Single : A 9 THR OG1 : rot 41:sc=-0.00218 USER MOD Single : A 11 CYS SG : rot -27:sc= -0.228 USER MOD Single : A 13 THR OG1 : rot 46:sc= 0.227 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 70:sc= -1.77! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -111:sc= -2.48 (180deg=-5.92!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.695 F(o=-3.6!,f=-0.7) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= 0.412 (180deg=0.275) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.24) USER MOD Single : A 34 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.09) USER MOD Single : A 41 GLN : amide:sc= -3.07! C(o=-3.1!,f=-8.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.0339 (180deg=-0.27) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 67 THR OG1 : rot 127:sc= 0.0379 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.0349 (180deg=-0.303) USER MOD Single : A 71 ASN : amide:sc= 1.64 K(o=1.6,f=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ -107:sc= 1.2 (180deg=-0.0634) USER MOD Single : A 78 LYS NZ :NH3+ -118:sc= 0.832 (180deg=-0.0265) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc=-0.00073 (180deg=-0.126) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.716) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.724 -1.323 -7.056 1.00 0.00 N ATOM 2 CA MET A 1 -16.002 -0.238 -6.352 1.00 0.00 C ATOM 3 C MET A 1 -14.630 -0.019 -6.976 1.00 0.00 C ATOM 4 O MET A 1 -13.742 -0.859 -6.853 1.00 0.00 O ATOM 5 CB MET A 1 -15.829 -0.560 -4.861 1.00 0.00 C ATOM 6 CG MET A 1 -17.119 -0.532 -4.051 1.00 0.00 C ATOM 7 SD MET A 1 -18.226 -1.903 -4.427 1.00 0.00 S ATOM 8 CE MET A 1 -19.570 -1.566 -3.287 1.00 0.00 C ATOM 0 H1 MET A 1 -17.423 -1.748 -6.414 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.211 -0.933 -7.888 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.046 -2.050 -7.361 1.00 0.00 H new ATOM 0 HA MET A 1 -16.599 0.669 -6.450 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.378 -1.548 -4.766 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.128 0.154 -4.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.874 -0.553 -2.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.638 0.408 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.340 -2.329 -3.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.191 -1.577 -2.265 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.996 -0.587 -3.506 1.00 0.00 H new ATOM 20 N LYS A 2 -14.471 1.103 -7.661 1.00 0.00 N ATOM 21 CA LYS A 2 -13.181 1.487 -8.219 1.00 0.00 C ATOM 22 C LYS A 2 -12.460 2.414 -7.256 1.00 0.00 C ATOM 23 O LYS A 2 -12.188 3.577 -7.569 1.00 0.00 O ATOM 24 CB LYS A 2 -13.358 2.166 -9.581 1.00 0.00 C ATOM 25 CG LYS A 2 -13.740 1.199 -10.688 1.00 0.00 C ATOM 26 CD LYS A 2 -12.604 0.236 -10.989 1.00 0.00 C ATOM 27 CE LYS A 2 -13.054 -0.899 -11.889 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.128 -1.706 -11.252 1.00 0.00 N ATOM 0 H LYS A 2 -15.223 1.767 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.582 0.588 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.126 2.935 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.430 2.669 -9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.628 0.639 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.997 1.756 -11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.786 0.776 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.216 -0.172 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.414 -0.494 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.204 -1.541 -12.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.190 -2.632 -11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.909 -1.841 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.037 -1.209 -11.345 1.00 0.00 H new ATOM 42 N ARG A 3 -12.164 1.892 -6.076 1.00 0.00 N ATOM 43 CA ARG A 3 -11.535 2.678 -5.031 1.00 0.00 C ATOM 44 C ARG A 3 -10.062 2.886 -5.353 1.00 0.00 C ATOM 45 O ARG A 3 -9.350 1.934 -5.682 1.00 0.00 O ATOM 46 CB ARG A 3 -11.676 1.975 -3.679 1.00 0.00 C ATOM 47 CG ARG A 3 -11.819 2.924 -2.501 1.00 0.00 C ATOM 48 CD ARG A 3 -13.207 3.545 -2.461 1.00 0.00 C ATOM 49 NE ARG A 3 -13.356 4.508 -1.370 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.999 4.259 -0.230 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.522 3.059 -0.004 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.123 5.211 0.686 1.00 0.00 N ATOM 0 H ARG A 3 -12.351 0.923 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.031 3.647 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.546 1.319 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.804 1.341 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.632 2.386 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.068 3.711 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.407 4.042 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.952 2.757 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.940 5.432 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.432 2.323 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.013 2.873 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.726 6.135 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.616 5.019 1.558 1.00 0.00 H new ATOM 66 N LYS A 4 -9.622 4.130 -5.286 1.00 0.00 N ATOM 67 CA LYS A 4 -8.220 4.455 -5.498 1.00 0.00 C ATOM 68 C LYS A 4 -7.435 4.108 -4.244 1.00 0.00 C ATOM 69 O LYS A 4 -7.786 4.542 -3.150 1.00 0.00 O ATOM 70 CB LYS A 4 -8.049 5.941 -5.835 1.00 0.00 C ATOM 71 CG LYS A 4 -9.054 6.462 -6.851 1.00 0.00 C ATOM 72 CD LYS A 4 -9.048 5.645 -8.133 1.00 0.00 C ATOM 73 CE LYS A 4 -10.108 6.134 -9.107 1.00 0.00 C ATOM 74 NZ LYS A 4 -11.469 6.115 -8.505 1.00 0.00 N ATOM 0 H LYS A 4 -10.216 4.935 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.844 3.875 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.138 6.524 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.042 6.103 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.053 6.443 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.827 7.502 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.065 5.707 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.224 4.595 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.867 7.148 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.097 5.508 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.183 6.189 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.606 5.225 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.571 6.917 -7.851 1.00 0.00 H new ATOM 88 N ILE A 5 -6.401 3.302 -4.388 1.00 0.00 N ATOM 89 CA ILE A 5 -5.598 2.903 -3.245 1.00 0.00 C ATOM 90 C ILE A 5 -4.114 3.083 -3.539 1.00 0.00 C ATOM 91 O ILE A 5 -3.635 2.706 -4.606 1.00 0.00 O ATOM 92 CB ILE A 5 -5.864 1.429 -2.848 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.355 1.207 -2.560 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.024 1.043 -1.635 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.711 -0.233 -2.254 1.00 0.00 C ATOM 0 H ILE A 5 -6.097 2.911 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.885 3.545 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.577 0.792 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.649 1.831 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.935 1.540 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.223 0.005 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.967 1.160 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.281 1.688 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.781 -0.310 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.449 -0.861 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.159 -0.565 -1.375 1.00 0.00 H new ATOM 107 N ILE A 6 -3.395 3.680 -2.605 1.00 0.00 N ATOM 108 CA ILE A 6 -1.950 3.756 -2.702 1.00 0.00 C ATOM 109 C ILE A 6 -1.325 2.907 -1.605 1.00 0.00 C ATOM 110 O ILE A 6 -1.699 3.005 -0.435 1.00 0.00 O ATOM 111 CB ILE A 6 -1.398 5.206 -2.640 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.821 5.937 -1.352 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.835 5.994 -3.869 1.00 0.00 C ATOM 114 CD1 ILE A 6 -3.242 6.469 -1.355 1.00 0.00 C ATOM 0 H ILE A 6 -3.788 4.118 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.677 3.372 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.310 5.137 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.706 5.254 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.138 6.769 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.440 7.008 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.454 5.508 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.924 6.030 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.446 6.967 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.362 7.181 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.940 5.642 -1.488 1.00 0.00 H new ATOM 126 N ALA A 7 -0.403 2.045 -1.990 1.00 0.00 N ATOM 127 CA ALA A 7 0.200 1.114 -1.055 1.00 0.00 C ATOM 128 C ALA A 7 1.705 1.065 -1.236 1.00 0.00 C ATOM 129 O ALA A 7 2.200 1.099 -2.357 1.00 0.00 O ATOM 130 CB ALA A 7 -0.405 -0.270 -1.236 1.00 0.00 C ATOM 0 H ALA A 7 -0.055 1.970 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.005 1.459 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.053 -0.963 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.479 -0.224 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.224 -0.616 -2.254 1.00 0.00 H new ATOM 136 N VAL A 8 2.428 0.996 -0.132 1.00 0.00 N ATOM 137 CA VAL A 8 3.878 0.919 -0.175 1.00 0.00 C ATOM 138 C VAL A 8 4.352 -0.384 0.453 1.00 0.00 C ATOM 139 O VAL A 8 3.940 -0.733 1.559 1.00 0.00 O ATOM 140 CB VAL A 8 4.534 2.113 0.554 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.053 2.026 0.481 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.049 3.431 -0.031 1.00 0.00 C ATOM 0 H VAL A 8 2.033 0.992 0.808 1.00 0.00 H new ATOM 0 HA VAL A 8 4.178 0.954 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 8 4.240 2.071 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.492 2.878 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.388 1.102 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.368 2.037 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.523 4.259 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.309 3.477 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.967 3.502 0.080 1.00 0.00 H new ATOM 152 N THR A 9 5.197 -1.107 -0.264 1.00 0.00 N ATOM 153 CA THR A 9 5.746 -2.361 0.226 1.00 0.00 C ATOM 154 C THR A 9 7.258 -2.261 0.386 1.00 0.00 C ATOM 155 O THR A 9 7.974 -2.032 -0.589 1.00 0.00 O ATOM 156 CB THR A 9 5.403 -3.522 -0.724 1.00 0.00 C ATOM 157 OG1 THR A 9 5.620 -3.123 -2.086 1.00 0.00 O ATOM 158 CG2 THR A 9 3.960 -3.961 -0.540 1.00 0.00 C ATOM 0 H THR A 9 5.520 -0.844 -1.195 1.00 0.00 H new ATOM 0 HA THR A 9 5.297 -2.560 1.199 1.00 0.00 H new ATOM 0 HB THR A 9 6.054 -4.363 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.448 -2.602 -2.146 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.740 -4.783 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.808 -4.292 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.295 -3.124 -0.754 1.00 0.00 H new ATOM 166 N ALA A 10 7.738 -2.431 1.613 1.00 0.00 N ATOM 167 CA ALA A 10 9.161 -2.296 1.896 1.00 0.00 C ATOM 168 C ALA A 10 9.675 -3.443 2.756 1.00 0.00 C ATOM 169 O ALA A 10 9.160 -3.692 3.850 1.00 0.00 O ATOM 170 CB ALA A 10 9.445 -0.968 2.582 1.00 0.00 C ATOM 0 H ALA A 10 7.165 -2.662 2.424 1.00 0.00 H new ATOM 0 HA ALA A 10 9.687 -2.327 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.513 -0.885 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.134 -0.149 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.892 -0.917 3.520 1.00 0.00 H new ATOM 176 N CYS A 11 10.688 -4.139 2.252 1.00 0.00 N ATOM 177 CA CYS A 11 11.337 -5.206 3.004 1.00 0.00 C ATOM 178 C CYS A 11 12.861 -5.038 2.974 1.00 0.00 C ATOM 179 O CYS A 11 13.579 -5.719 3.710 1.00 0.00 O ATOM 180 CB CYS A 11 10.935 -6.574 2.442 1.00 0.00 C ATOM 181 SG CYS A 11 11.650 -7.984 3.319 1.00 0.00 S ATOM 0 H CYS A 11 11.078 -3.982 1.323 1.00 0.00 H new ATOM 0 HA CYS A 11 11.008 -5.147 4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.849 -6.659 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.233 -6.624 1.395 1.00 0.00 H new ATOM 0 HG CYS A 11 12.778 -7.631 3.861 1.00 0.00 H new ATOM 187 N ALA A 12 13.332 -4.111 2.130 1.00 0.00 N ATOM 188 CA ALA A 12 14.761 -3.804 1.982 1.00 0.00 C ATOM 189 C ALA A 12 15.584 -5.040 1.619 1.00 0.00 C ATOM 190 O ALA A 12 15.787 -5.342 0.440 1.00 0.00 O ATOM 191 CB ALA A 12 15.312 -3.145 3.244 1.00 0.00 C ATOM 0 H ALA A 12 12.730 -3.550 1.528 1.00 0.00 H new ATOM 0 HA ALA A 12 14.849 -3.101 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.372 -2.928 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.773 -2.217 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.185 -3.819 4.091 1.00 0.00 H new ATOM 197 N THR A 13 16.052 -5.746 2.636 1.00 0.00 N ATOM 198 CA THR A 13 16.828 -6.951 2.446 1.00 0.00 C ATOM 199 C THR A 13 15.907 -8.156 2.368 1.00 0.00 C ATOM 200 O THR A 13 15.495 -8.711 3.389 1.00 0.00 O ATOM 201 CB THR A 13 17.841 -7.132 3.589 1.00 0.00 C ATOM 202 OG1 THR A 13 17.192 -6.918 4.853 1.00 0.00 O ATOM 203 CG2 THR A 13 19.003 -6.165 3.437 1.00 0.00 C ATOM 0 H THR A 13 15.902 -5.496 3.614 1.00 0.00 H new ATOM 0 HA THR A 13 17.379 -6.863 1.510 1.00 0.00 H new ATOM 0 HB THR A 13 18.230 -8.149 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.341 -7.403 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.707 -6.311 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.507 -6.348 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.629 -5.141 3.457 1.00 0.00 H new ATOM 211 N GLY A 14 15.568 -8.540 1.155 1.00 0.00 N ATOM 212 CA GLY A 14 14.634 -9.620 0.956 1.00 0.00 C ATOM 213 C GLY A 14 13.702 -9.334 -0.197 1.00 0.00 C ATOM 214 O GLY A 14 12.507 -9.103 0.001 1.00 0.00 O ATOM 0 H GLY A 14 15.926 -8.120 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.179 -10.544 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.054 -9.774 1.866 1.00 0.00 H new ATOM 218 N VAL A 15 14.253 -9.341 -1.402 1.00 0.00 N ATOM 219 CA VAL A 15 13.489 -9.065 -2.606 1.00 0.00 C ATOM 220 C VAL A 15 12.325 -10.040 -2.769 1.00 0.00 C ATOM 221 O VAL A 15 11.281 -9.680 -3.316 1.00 0.00 O ATOM 222 CB VAL A 15 14.386 -9.116 -3.859 1.00 0.00 C ATOM 223 CG1 VAL A 15 15.391 -7.974 -3.837 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.102 -10.455 -3.960 1.00 0.00 C ATOM 0 H VAL A 15 15.240 -9.538 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 15 13.085 -8.058 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 15 13.751 -9.005 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.017 -8.023 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.860 -7.022 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.017 -8.057 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 15 15.728 -10.466 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.725 -10.602 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.367 -11.257 -4.023 1.00 0.00 H new ATOM 234 N ALA A 16 12.495 -11.259 -2.268 1.00 0.00 N ATOM 235 CA ALA A 16 11.442 -12.268 -2.338 1.00 0.00 C ATOM 236 C ALA A 16 10.204 -11.815 -1.575 1.00 0.00 C ATOM 237 O ALA A 16 9.077 -12.089 -1.978 1.00 0.00 O ATOM 238 CB ALA A 16 11.941 -13.599 -1.798 1.00 0.00 C ATOM 0 H ALA A 16 13.350 -11.573 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 16 11.168 -12.399 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.142 -14.338 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.793 -13.935 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.246 -13.479 -0.759 1.00 0.00 H new ATOM 244 N HIS A 17 10.419 -11.110 -0.473 1.00 0.00 N ATOM 245 CA HIS A 17 9.313 -10.579 0.317 1.00 0.00 C ATOM 246 C HIS A 17 8.835 -9.250 -0.247 1.00 0.00 C ATOM 247 O HIS A 17 7.655 -8.917 -0.149 1.00 0.00 O ATOM 248 CB HIS A 17 9.713 -10.395 1.783 1.00 0.00 C ATOM 249 CG HIS A 17 9.468 -11.596 2.643 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.276 -11.812 3.298 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.266 -12.636 2.969 1.00 0.00 C ATOM 252 CE1 HIS A 17 8.352 -12.930 3.993 1.00 0.00 C ATOM 253 NE2 HIS A 17 9.552 -13.452 3.812 1.00 0.00 N ATOM 0 H HIS A 17 11.345 -10.892 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 17 8.501 -11.305 0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.771 -10.139 1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.162 -9.549 2.195 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.279 -12.796 2.629 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.567 -13.348 4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.892 -14.318 4.229 1.00 0.00 H new ATOM 262 N THR A 18 9.756 -8.501 -0.835 1.00 0.00 N ATOM 263 CA THR A 18 9.446 -7.184 -1.370 1.00 0.00 C ATOM 264 C THR A 18 8.577 -7.287 -2.626 1.00 0.00 C ATOM 265 O THR A 18 7.470 -6.749 -2.674 1.00 0.00 O ATOM 266 CB THR A 18 10.737 -6.406 -1.699 1.00 0.00 C ATOM 267 OG1 THR A 18 11.622 -6.424 -0.567 1.00 0.00 O ATOM 268 CG2 THR A 18 10.425 -4.963 -2.071 1.00 0.00 C ATOM 0 H THR A 18 10.728 -8.785 -0.954 1.00 0.00 H new ATOM 0 HA THR A 18 8.891 -6.645 -0.603 1.00 0.00 H new ATOM 0 HB THR A 18 11.216 -6.891 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.972 -7.331 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.352 -4.437 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.774 -4.945 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.925 -4.472 -1.236 1.00 0.00 H new ATOM 276 N TYR A 19 9.071 -8.008 -3.626 1.00 0.00 N ATOM 277 CA TYR A 19 8.378 -8.119 -4.906 1.00 0.00 C ATOM 278 C TYR A 19 7.072 -8.893 -4.770 1.00 0.00 C ATOM 279 O TYR A 19 6.067 -8.534 -5.382 1.00 0.00 O ATOM 280 CB TYR A 19 9.270 -8.791 -5.953 1.00 0.00 C ATOM 281 CG TYR A 19 10.397 -7.917 -6.462 1.00 0.00 C ATOM 282 CD1 TYR A 19 11.579 -7.782 -5.746 1.00 0.00 C ATOM 283 CD2 TYR A 19 10.282 -7.238 -7.670 1.00 0.00 C ATOM 284 CE1 TYR A 19 12.614 -7.001 -6.218 1.00 0.00 C ATOM 285 CE2 TYR A 19 11.314 -6.452 -8.147 1.00 0.00 C ATOM 286 CZ TYR A 19 12.478 -6.336 -7.417 1.00 0.00 C ATOM 287 OH TYR A 19 13.516 -5.565 -7.892 1.00 0.00 O ATOM 0 H TYR A 19 9.949 -8.525 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 19 8.145 -7.106 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.695 -9.698 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.653 -9.097 -6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.690 -8.297 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.372 -7.326 -8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.528 -6.911 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.209 -5.931 -9.087 1.00 0.00 H new ATOM 0 HH TYR A 19 13.260 -5.165 -8.749 1.00 0.00 H new ATOM 297 N MET A 20 7.082 -9.951 -3.963 1.00 0.00 N ATOM 298 CA MET A 20 5.894 -10.775 -3.791 1.00 0.00 C ATOM 299 C MET A 20 4.775 -9.989 -3.130 1.00 0.00 C ATOM 300 O MET A 20 3.632 -10.070 -3.558 1.00 0.00 O ATOM 301 CB MET A 20 6.197 -12.034 -2.984 1.00 0.00 C ATOM 302 CG MET A 20 4.971 -12.908 -2.759 1.00 0.00 C ATOM 303 SD MET A 20 5.380 -14.518 -2.045 1.00 0.00 S ATOM 304 CE MET A 20 6.344 -14.035 -0.616 1.00 0.00 C ATOM 0 H MET A 20 7.893 -10.254 -3.423 1.00 0.00 H new ATOM 0 HA MET A 20 5.567 -11.079 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.960 -12.615 -3.501 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.614 -11.748 -2.018 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.276 -12.389 -2.099 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.457 -13.057 -3.709 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.385 -14.322 -0.765 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.281 -12.955 -0.483 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.954 -14.533 0.271 1.00 0.00 H new ATOM 314 N ALA A 21 5.103 -9.220 -2.100 1.00 0.00 N ATOM 315 CA ALA A 21 4.096 -8.435 -1.398 1.00 0.00 C ATOM 316 C ALA A 21 3.488 -7.387 -2.323 1.00 0.00 C ATOM 317 O ALA A 21 2.277 -7.164 -2.317 1.00 0.00 O ATOM 318 CB ALA A 21 4.696 -7.773 -0.169 1.00 0.00 C ATOM 0 H ALA A 21 6.050 -9.123 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 21 3.303 -9.110 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.929 -7.191 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.080 -8.538 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.510 -7.114 -0.471 1.00 0.00 H new ATOM 324 N ALA A 22 4.338 -6.772 -3.135 1.00 0.00 N ATOM 325 CA ALA A 22 3.907 -5.734 -4.061 1.00 0.00 C ATOM 326 C ALA A 22 2.924 -6.279 -5.093 1.00 0.00 C ATOM 327 O ALA A 22 1.927 -5.631 -5.413 1.00 0.00 O ATOM 328 CB ALA A 22 5.110 -5.114 -4.757 1.00 0.00 C ATOM 0 H ALA A 22 5.337 -6.976 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 22 3.394 -4.965 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.773 -4.340 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.774 -4.673 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.647 -5.884 -5.311 1.00 0.00 H new ATOM 334 N GLN A 23 3.211 -7.460 -5.630 1.00 0.00 N ATOM 335 CA GLN A 23 2.334 -8.068 -6.623 1.00 0.00 C ATOM 336 C GLN A 23 1.141 -8.761 -5.961 1.00 0.00 C ATOM 337 O GLN A 23 0.056 -8.813 -6.536 1.00 0.00 O ATOM 338 CB GLN A 23 3.105 -9.049 -7.516 1.00 0.00 C ATOM 339 CG GLN A 23 3.712 -10.226 -6.773 1.00 0.00 C ATOM 340 CD GLN A 23 4.541 -11.119 -7.676 1.00 0.00 C ATOM 341 OE1 GLN A 23 5.561 -11.739 -7.109 1.00 0.00 O flip ATOM 342 NE2 GLN A 23 4.270 -11.244 -8.871 1.00 0.00 N flip ATOM 0 H GLN A 23 4.037 -8.011 -5.397 1.00 0.00 H new ATOM 0 HA GLN A 23 1.949 -7.267 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.432 -9.428 -8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.901 -8.508 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.337 -9.855 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.915 -10.814 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.473 -10.747 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.843 -11.845 -9.464 1.00 0.00 H new ATOM 351 N ALA A 24 1.338 -9.285 -4.751 1.00 0.00 N ATOM 352 CA ALA A 24 0.257 -9.940 -4.020 1.00 0.00 C ATOM 353 C ALA A 24 -0.824 -8.932 -3.665 1.00 0.00 C ATOM 354 O ALA A 24 -2.017 -9.234 -3.725 1.00 0.00 O ATOM 355 CB ALA A 24 0.780 -10.619 -2.765 1.00 0.00 C ATOM 0 H ALA A 24 2.232 -9.268 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.173 -10.707 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.046 -11.099 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.521 -11.370 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.241 -9.876 -2.114 1.00 0.00 H new ATOM 361 N LEU A 25 -0.390 -7.737 -3.287 1.00 0.00 N ATOM 362 CA LEU A 25 -1.306 -6.622 -3.067 1.00 0.00 C ATOM 363 C LEU A 25 -2.119 -6.339 -4.325 1.00 0.00 C ATOM 364 O LEU A 25 -3.332 -6.130 -4.263 1.00 0.00 O ATOM 365 CB LEU A 25 -0.534 -5.367 -2.660 1.00 0.00 C ATOM 366 CG LEU A 25 -0.643 -4.986 -1.187 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.358 -3.896 -0.846 1.00 0.00 C ATOM 368 CD2 LEU A 25 -2.057 -4.528 -0.863 1.00 0.00 C ATOM 0 H LEU A 25 0.592 -7.513 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.986 -6.898 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.518 -5.512 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.889 -4.531 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.416 -5.865 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.267 -3.636 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.368 -4.254 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.158 -3.015 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.120 -4.259 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.308 -3.661 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.758 -5.335 -1.074 1.00 0.00 H new ATOM 380 N LYS A 26 -1.439 -6.351 -5.468 1.00 0.00 N ATOM 381 CA LYS A 26 -2.087 -6.132 -6.755 1.00 0.00 C ATOM 382 C LYS A 26 -3.144 -7.201 -7.009 1.00 0.00 C ATOM 383 O LYS A 26 -4.228 -6.905 -7.507 1.00 0.00 O ATOM 384 CB LYS A 26 -1.054 -6.140 -7.885 1.00 0.00 C ATOM 385 CG LYS A 26 -0.025 -5.026 -7.783 1.00 0.00 C ATOM 386 CD LYS A 26 0.925 -5.036 -8.971 1.00 0.00 C ATOM 387 CE LYS A 26 1.958 -3.923 -8.875 1.00 0.00 C ATOM 388 NZ LYS A 26 2.945 -4.160 -7.785 1.00 0.00 N ATOM 0 H LYS A 26 -0.433 -6.511 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.572 -5.156 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.538 -7.100 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.573 -6.056 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.533 -4.063 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.544 -5.138 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.432 -5.999 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.355 -4.925 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.484 -3.836 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.451 -2.974 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.415 -3.265 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.454 -4.532 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.656 -4.849 -8.104 1.00 0.00 H new ATOM 402 N LYS A 27 -2.817 -8.444 -6.650 1.00 0.00 N ATOM 403 CA LYS A 27 -3.734 -9.572 -6.811 1.00 0.00 C ATOM 404 C LYS A 27 -5.058 -9.299 -6.105 1.00 0.00 C ATOM 405 O LYS A 27 -6.123 -9.343 -6.719 1.00 0.00 O ATOM 406 CB LYS A 27 -3.118 -10.853 -6.243 1.00 0.00 C ATOM 407 CG LYS A 27 -1.780 -11.239 -6.858 1.00 0.00 C ATOM 408 CD LYS A 27 -1.901 -11.597 -8.327 1.00 0.00 C ATOM 409 CE LYS A 27 -0.539 -11.947 -8.908 1.00 0.00 C ATOM 410 NZ LYS A 27 -0.625 -12.376 -10.327 1.00 0.00 N ATOM 0 H LYS A 27 -1.916 -8.695 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.916 -9.700 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.987 -10.732 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.820 -11.674 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.079 -10.412 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.364 -12.086 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.581 -12.441 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.332 -10.760 -8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.119 -11.082 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.088 -12.744 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.327 -12.604 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.232 -13.218 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.030 -11.607 -10.898 1.00 0.00 H new ATOM 424 N GLY A 28 -4.976 -9.004 -4.816 1.00 0.00 N ATOM 425 CA GLY A 28 -6.167 -8.730 -4.029 1.00 0.00 C ATOM 426 C GLY A 28 -6.920 -7.503 -4.513 1.00 0.00 C ATOM 427 O GLY A 28 -8.152 -7.481 -4.520 1.00 0.00 O ATOM 0 H GLY A 28 -4.101 -8.949 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.829 -9.595 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.884 -8.589 -2.986 1.00 0.00 H new ATOM 431 N ALA A 29 -6.179 -6.489 -4.939 1.00 0.00 N ATOM 432 CA ALA A 29 -6.780 -5.242 -5.395 1.00 0.00 C ATOM 433 C ALA A 29 -7.605 -5.453 -6.660 1.00 0.00 C ATOM 434 O ALA A 29 -8.758 -5.028 -6.735 1.00 0.00 O ATOM 435 CB ALA A 29 -5.705 -4.197 -5.635 1.00 0.00 C ATOM 0 H ALA A 29 -5.160 -6.505 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.452 -4.888 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.168 -3.271 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.163 -4.013 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.011 -4.557 -6.395 1.00 0.00 H new ATOM 441 N LYS A 30 -7.014 -6.116 -7.650 1.00 0.00 N ATOM 442 CA LYS A 30 -7.703 -6.379 -8.910 1.00 0.00 C ATOM 443 C LYS A 30 -8.827 -7.393 -8.712 1.00 0.00 C ATOM 444 O LYS A 30 -9.804 -7.406 -9.463 1.00 0.00 O ATOM 445 CB LYS A 30 -6.720 -6.879 -9.972 1.00 0.00 C ATOM 446 CG LYS A 30 -6.045 -8.194 -9.615 1.00 0.00 C ATOM 447 CD LYS A 30 -5.006 -8.590 -10.648 1.00 0.00 C ATOM 448 CE LYS A 30 -3.919 -7.535 -10.780 1.00 0.00 C ATOM 449 NZ LYS A 30 -2.987 -7.828 -11.898 1.00 0.00 N ATOM 0 H LYS A 30 -6.062 -6.480 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.140 -5.442 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.250 -6.999 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.954 -6.120 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.571 -8.106 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.797 -8.979 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.557 -9.543 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.490 -8.738 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.379 -6.560 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.358 -7.475 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.263 -7.083 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.528 -8.747 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.517 -7.860 -12.792 1.00 0.00 H new ATOM 463 N LYS A 31 -8.681 -8.238 -7.696 1.00 0.00 N ATOM 464 CA LYS A 31 -9.704 -9.217 -7.354 1.00 0.00 C ATOM 465 C LYS A 31 -10.978 -8.513 -6.905 1.00 0.00 C ATOM 466 O LYS A 31 -12.083 -8.885 -7.296 1.00 0.00 O ATOM 467 CB LYS A 31 -9.199 -10.147 -6.249 1.00 0.00 C ATOM 468 CG LYS A 31 -10.193 -11.223 -5.850 1.00 0.00 C ATOM 469 CD LYS A 31 -9.615 -12.137 -4.788 1.00 0.00 C ATOM 470 CE LYS A 31 -10.626 -13.177 -4.338 1.00 0.00 C ATOM 471 NZ LYS A 31 -10.070 -14.061 -3.283 1.00 0.00 N ATOM 0 H LYS A 31 -7.859 -8.263 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.926 -9.813 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.277 -10.623 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.951 -9.551 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.105 -10.758 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.470 -11.809 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.728 -12.636 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.295 -11.544 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.519 -12.678 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.934 -13.779 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.794 -14.747 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.243 -14.569 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.784 -13.487 -2.464 1.00 0.00 H new ATOM 485 N MET A 32 -10.811 -7.482 -6.089 1.00 0.00 N ATOM 486 CA MET A 32 -11.942 -6.688 -5.629 1.00 0.00 C ATOM 487 C MET A 32 -12.325 -5.652 -6.684 1.00 0.00 C ATOM 488 O MET A 32 -13.393 -5.050 -6.617 1.00 0.00 O ATOM 489 CB MET A 32 -11.611 -6.002 -4.303 1.00 0.00 C ATOM 490 CG MET A 32 -11.310 -6.973 -3.172 1.00 0.00 C ATOM 491 SD MET A 32 -10.948 -6.134 -1.616 1.00 0.00 S ATOM 492 CE MET A 32 -12.495 -5.278 -1.329 1.00 0.00 C ATOM 0 H MET A 32 -9.906 -7.176 -5.732 1.00 0.00 H new ATOM 0 HA MET A 32 -12.791 -7.353 -5.470 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.751 -5.348 -4.447 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.449 -5.368 -4.013 1.00 0.00 H new ATOM 0 HG2 MET A 32 -12.162 -7.638 -3.032 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.461 -7.597 -3.450 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.590 -5.044 -0.269 1.00 0.00 H new ATOM 0 HE2 MET A 32 -12.512 -4.354 -1.907 1.00 0.00 H new ATOM 0 HE3 MET A 32 -13.325 -5.914 -1.636 1.00 0.00 H new ATOM 502 N GLY A 33 -11.435 -5.447 -7.650 1.00 0.00 N ATOM 503 CA GLY A 33 -11.729 -4.569 -8.767 1.00 0.00 C ATOM 504 C GLY A 33 -11.444 -3.113 -8.470 1.00 0.00 C ATOM 505 O GLY A 33 -12.165 -2.229 -8.939 1.00 0.00 O ATOM 0 H GLY A 33 -10.510 -5.876 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.140 -4.879 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.778 -4.679 -9.041 1.00 0.00 H new ATOM 509 N ASN A 34 -10.393 -2.859 -7.704 1.00 0.00 N ATOM 510 CA ASN A 34 -10.025 -1.493 -7.343 1.00 0.00 C ATOM 511 C ASN A 34 -8.813 -1.030 -8.144 1.00 0.00 C ATOM 512 O ASN A 34 -8.193 -1.819 -8.860 1.00 0.00 O ATOM 513 CB ASN A 34 -9.718 -1.381 -5.846 1.00 0.00 C ATOM 514 CG ASN A 34 -10.905 -1.726 -4.970 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.754 -0.884 -4.686 1.00 0.00 O ATOM 516 ND2 ASN A 34 -10.956 -2.965 -4.511 1.00 0.00 N ATOM 0 H ASN A 34 -9.780 -3.578 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.876 -0.853 -7.577 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.888 -2.043 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.392 -0.365 -5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.720 -3.251 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.232 -3.635 -4.770 1.00 0.00 H new ATOM 523 N LEU A 35 -8.474 0.246 -8.012 1.00 0.00 N ATOM 524 CA LEU A 35 -7.331 0.812 -8.716 1.00 0.00 C ATOM 525 C LEU A 35 -6.241 1.177 -7.717 1.00 0.00 C ATOM 526 O LEU A 35 -6.395 2.112 -6.929 1.00 0.00 O ATOM 527 CB LEU A 35 -7.751 2.047 -9.519 1.00 0.00 C ATOM 528 CG LEU A 35 -8.787 1.788 -10.615 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.179 3.089 -11.294 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.252 0.794 -11.636 1.00 0.00 C ATOM 0 H LEU A 35 -8.976 0.910 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.943 0.068 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.152 2.790 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.863 2.483 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.675 1.358 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.916 2.886 -12.071 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.606 3.770 -10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.297 3.546 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.004 0.624 -12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.347 1.194 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.021 -0.149 -11.140 1.00 0.00 H new ATOM 542 N ILE A 36 -5.142 0.442 -7.752 1.00 0.00 N ATOM 543 CA ILE A 36 -4.108 0.586 -6.743 1.00 0.00 C ATOM 544 C ILE A 36 -2.757 0.955 -7.357 1.00 0.00 C ATOM 545 O ILE A 36 -2.421 0.536 -8.468 1.00 0.00 O ATOM 546 CB ILE A 36 -3.969 -0.716 -5.916 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.073 -0.492 -4.695 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.419 -1.843 -6.784 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.960 -1.700 -3.790 1.00 0.00 C ATOM 0 H ILE A 36 -4.944 -0.258 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.413 1.401 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.959 -1.003 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.076 -0.209 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.463 0.347 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.328 -2.750 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.097 -2.024 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.439 -1.561 -7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.309 -1.464 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.949 -1.971 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.540 -2.536 -4.350 1.00 0.00 H new ATOM 561 N LYS A 37 -2.003 1.765 -6.629 1.00 0.00 N ATOM 562 CA LYS A 37 -0.620 2.053 -6.968 1.00 0.00 C ATOM 563 C LYS A 37 0.285 1.525 -5.865 1.00 0.00 C ATOM 564 O LYS A 37 0.253 2.019 -4.737 1.00 0.00 O ATOM 565 CB LYS A 37 -0.385 3.554 -7.157 1.00 0.00 C ATOM 566 CG LYS A 37 -0.969 4.114 -8.443 1.00 0.00 C ATOM 567 CD LYS A 37 0.013 5.059 -9.111 1.00 0.00 C ATOM 568 CE LYS A 37 -0.561 5.663 -10.385 1.00 0.00 C ATOM 569 NZ LYS A 37 0.400 6.582 -11.051 1.00 0.00 N ATOM 0 H LYS A 37 -2.333 2.240 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.390 1.561 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.817 4.088 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.687 3.748 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.215 3.298 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.899 4.641 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.278 5.857 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.932 4.522 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.834 4.863 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.476 6.206 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.012 6.931 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.602 7.387 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.283 6.072 -11.256 1.00 0.00 H new ATOM 583 N VAL A 38 1.069 0.508 -6.180 1.00 0.00 N ATOM 584 CA VAL A 38 1.946 -0.109 -5.196 1.00 0.00 C ATOM 585 C VAL A 38 3.378 0.368 -5.389 1.00 0.00 C ATOM 586 O VAL A 38 3.937 0.246 -6.475 1.00 0.00 O ATOM 587 CB VAL A 38 1.903 -1.650 -5.275 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.731 -2.270 -4.162 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.469 -2.153 -5.212 1.00 0.00 C ATOM 0 H VAL A 38 1.117 0.091 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 38 1.588 0.192 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 38 2.332 -1.951 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.686 -3.356 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.767 -1.942 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.335 -1.957 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.462 -3.241 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.013 -1.836 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.098 -1.742 -6.048 1.00 0.00 H new ATOM 599 N GLU A 39 3.955 0.917 -4.336 1.00 0.00 N ATOM 600 CA GLU A 39 5.316 1.417 -4.382 1.00 0.00 C ATOM 601 C GLU A 39 6.292 0.366 -3.862 1.00 0.00 C ATOM 602 O GLU A 39 6.144 -0.133 -2.743 1.00 0.00 O ATOM 603 CB GLU A 39 5.426 2.691 -3.545 1.00 0.00 C ATOM 604 CG GLU A 39 6.742 3.426 -3.714 1.00 0.00 C ATOM 605 CD GLU A 39 6.785 4.705 -2.910 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.317 5.739 -3.423 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.292 4.678 -1.772 1.00 0.00 O ATOM 0 H GLU A 39 3.497 1.028 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 39 5.571 1.642 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.610 3.362 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.296 2.435 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.562 2.777 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.896 3.656 -4.768 1.00 0.00 H new ATOM 614 N THR A 40 7.268 0.016 -4.682 1.00 0.00 N ATOM 615 CA THR A 40 8.297 -0.921 -4.281 1.00 0.00 C ATOM 616 C THR A 40 9.424 -0.174 -3.580 1.00 0.00 C ATOM 617 O THR A 40 10.189 0.559 -4.214 1.00 0.00 O ATOM 618 CB THR A 40 8.855 -1.685 -5.496 1.00 0.00 C ATOM 619 OG1 THR A 40 7.773 -2.202 -6.284 1.00 0.00 O ATOM 620 CG2 THR A 40 9.759 -2.831 -5.058 1.00 0.00 C ATOM 0 H THR A 40 7.367 0.370 -5.633 1.00 0.00 H new ATOM 0 HA THR A 40 7.854 -1.645 -3.597 1.00 0.00 H new ATOM 0 HB THR A 40 9.446 -0.989 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.907 -1.959 -7.224 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.138 -3.352 -5.937 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.596 -2.435 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.191 -3.527 -4.441 1.00 0.00 H new ATOM 628 N GLN A 41 9.502 -0.338 -2.271 1.00 0.00 N ATOM 629 CA GLN A 41 10.484 0.365 -1.466 1.00 0.00 C ATOM 630 C GLN A 41 11.483 -0.618 -0.867 1.00 0.00 C ATOM 631 O GLN A 41 11.104 -1.644 -0.305 1.00 0.00 O ATOM 632 CB GLN A 41 9.766 1.145 -0.358 1.00 0.00 C ATOM 633 CG GLN A 41 10.691 1.885 0.599 1.00 0.00 C ATOM 634 CD GLN A 41 11.525 2.946 -0.086 1.00 0.00 C ATOM 635 OE1 GLN A 41 11.124 3.514 -1.093 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.687 3.238 0.475 1.00 0.00 N ATOM 0 H GLN A 41 8.891 -0.958 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 41 11.034 1.063 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.090 1.865 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.151 0.452 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.095 2.350 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.353 1.167 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.987 2.742 1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.283 3.959 0.068 1.00 0.00 H new ATOM 645 N GLY A 42 12.761 -0.316 -1.018 1.00 0.00 N ATOM 646 CA GLY A 42 13.778 -1.100 -0.358 1.00 0.00 C ATOM 647 C GLY A 42 14.048 -0.558 1.026 1.00 0.00 C ATOM 648 O GLY A 42 13.364 -0.912 1.988 1.00 0.00 O ATOM 0 H GLY A 42 13.111 0.456 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.458 -2.140 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.696 -1.086 -0.946 1.00 0.00 H new ATOM 652 N ALA A 43 15.037 0.309 1.120 1.00 0.00 N ATOM 653 CA ALA A 43 15.329 1.009 2.357 1.00 0.00 C ATOM 654 C ALA A 43 15.325 2.505 2.094 1.00 0.00 C ATOM 655 O ALA A 43 14.538 3.254 2.673 1.00 0.00 O ATOM 656 CB ALA A 43 16.670 0.561 2.923 1.00 0.00 C ATOM 0 H ALA A 43 15.658 0.548 0.347 1.00 0.00 H new ATOM 0 HA ALA A 43 14.564 0.773 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.871 1.097 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.641 -0.510 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.459 0.775 2.202 1.00 0.00 H new ATOM 662 N THR A 44 16.177 2.923 1.178 1.00 0.00 N ATOM 663 CA THR A 44 16.258 4.316 0.786 1.00 0.00 C ATOM 664 C THR A 44 16.125 4.429 -0.734 1.00 0.00 C ATOM 665 O THR A 44 16.246 5.508 -1.317 1.00 0.00 O ATOM 666 CB THR A 44 17.584 4.938 1.273 1.00 0.00 C ATOM 667 OG1 THR A 44 17.811 4.550 2.635 1.00 0.00 O ATOM 668 CG2 THR A 44 17.549 6.459 1.192 1.00 0.00 C ATOM 0 H THR A 44 16.829 2.311 0.687 1.00 0.00 H new ATOM 0 HA THR A 44 15.441 4.868 1.251 1.00 0.00 H new ATOM 0 HB THR A 44 18.386 4.578 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.653 4.940 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.498 6.864 1.542 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.383 6.765 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.740 6.838 1.817 1.00 0.00 H new ATOM 676 N GLY A 45 15.838 3.297 -1.369 1.00 0.00 N ATOM 677 CA GLY A 45 15.675 3.263 -2.808 1.00 0.00 C ATOM 678 C GLY A 45 14.256 2.921 -3.193 1.00 0.00 C ATOM 679 O GLY A 45 13.665 1.989 -2.637 1.00 0.00 O ATOM 0 H GLY A 45 15.715 2.396 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.945 4.231 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.357 2.528 -3.236 1.00 0.00 H new ATOM 683 N ILE A 46 13.707 3.671 -4.136 1.00 0.00 N ATOM 684 CA ILE A 46 12.313 3.516 -4.518 1.00 0.00 C ATOM 685 C ILE A 46 12.210 3.066 -5.971 1.00 0.00 C ATOM 686 O ILE A 46 12.983 3.517 -6.817 1.00 0.00 O ATOM 687 CB ILE A 46 11.542 4.845 -4.362 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.001 5.599 -3.112 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.048 4.571 -4.293 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.361 6.961 -2.953 1.00 0.00 C ATOM 0 H ILE A 46 14.208 4.395 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 46 11.875 2.766 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 46 11.751 5.470 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.776 4.997 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.084 5.718 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.510 5.513 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.727 4.074 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.835 3.929 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.735 7.435 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.608 7.582 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.279 6.849 -2.884 1.00 0.00 H new ATOM 702 N GLU A 47 11.262 2.182 -6.263 1.00 0.00 N ATOM 703 CA GLU A 47 11.049 1.725 -7.631 1.00 0.00 C ATOM 704 C GLU A 47 10.002 2.588 -8.333 1.00 0.00 C ATOM 705 O GLU A 47 10.159 2.959 -9.495 1.00 0.00 O ATOM 706 CB GLU A 47 10.596 0.263 -7.636 1.00 0.00 C ATOM 707 CG GLU A 47 10.346 -0.294 -9.029 1.00 0.00 C ATOM 708 CD GLU A 47 9.711 -1.668 -9.009 1.00 0.00 C ATOM 709 OE1 GLU A 47 10.442 -2.663 -8.851 1.00 0.00 O ATOM 710 OE2 GLU A 47 8.475 -1.759 -9.167 1.00 0.00 O ATOM 0 H GLU A 47 10.632 1.770 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 47 11.993 1.812 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.354 -0.345 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.682 0.173 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.700 0.391 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.291 -0.344 -9.570 1.00 0.00 H new ATOM 717 N ASN A 48 8.935 2.907 -7.615 1.00 0.00 N ATOM 718 CA ASN A 48 7.801 3.614 -8.202 1.00 0.00 C ATOM 719 C ASN A 48 7.858 5.102 -7.898 1.00 0.00 C ATOM 720 O ASN A 48 7.877 5.928 -8.814 1.00 0.00 O ATOM 721 CB ASN A 48 6.489 3.033 -7.672 1.00 0.00 C ATOM 722 CG ASN A 48 6.320 1.574 -8.031 1.00 0.00 C ATOM 723 OD1 ASN A 48 6.814 0.696 -7.329 1.00 0.00 O ATOM 724 ND2 ASN A 48 5.612 1.309 -9.114 1.00 0.00 N ATOM 0 H ASN A 48 8.829 2.688 -6.624 1.00 0.00 H new ATOM 0 HA ASN A 48 7.850 3.483 -9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.457 3.144 -6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.652 3.603 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.457 0.342 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.221 2.072 -9.667 1.00 0.00 H new ATOM 731 N GLU A 49 7.887 5.420 -6.607 1.00 0.00 N ATOM 732 CA GLU A 49 7.872 6.798 -6.124 1.00 0.00 C ATOM 733 C GLU A 49 6.521 7.434 -6.428 1.00 0.00 C ATOM 734 O GLU A 49 6.316 8.041 -7.484 1.00 0.00 O ATOM 735 CB GLU A 49 9.029 7.617 -6.727 1.00 0.00 C ATOM 736 CG GLU A 49 9.519 8.762 -5.847 1.00 0.00 C ATOM 737 CD GLU A 49 8.606 9.972 -5.852 1.00 0.00 C ATOM 738 OE1 GLU A 49 7.609 9.983 -5.109 1.00 0.00 O ATOM 739 OE2 GLU A 49 8.909 10.941 -6.585 1.00 0.00 O ATOM 0 H GLU A 49 7.922 4.725 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 49 8.019 6.792 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.865 6.947 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.708 8.024 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.624 8.402 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.511 9.066 -6.181 1.00 0.00 H new ATOM 746 N LEU A 50 5.588 7.231 -5.513 1.00 0.00 N ATOM 747 CA LEU A 50 4.251 7.787 -5.631 1.00 0.00 C ATOM 748 C LEU A 50 4.269 9.256 -5.250 1.00 0.00 C ATOM 749 O LEU A 50 4.665 9.616 -4.143 1.00 0.00 O ATOM 750 CB LEU A 50 3.271 7.016 -4.738 1.00 0.00 C ATOM 751 CG LEU A 50 2.640 5.759 -5.357 1.00 0.00 C ATOM 752 CD1 LEU A 50 3.679 4.892 -6.055 1.00 0.00 C ATOM 753 CD2 LEU A 50 1.924 4.953 -4.286 1.00 0.00 C ATOM 0 H LEU A 50 5.736 6.677 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 50 3.919 7.694 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.793 6.725 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.469 7.693 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 50 1.921 6.085 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.194 4.013 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.155 5.464 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.434 4.577 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.480 4.064 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.637 4.654 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.140 5.562 -3.836 1.00 0.00 H new ATOM 765 N THR A 51 3.818 10.100 -6.157 1.00 0.00 N ATOM 766 CA THR A 51 3.916 11.535 -5.964 1.00 0.00 C ATOM 767 C THR A 51 2.692 12.032 -5.228 1.00 0.00 C ATOM 768 O THR A 51 1.683 11.333 -5.180 1.00 0.00 O ATOM 769 CB THR A 51 4.038 12.279 -7.307 1.00 0.00 C ATOM 770 OG1 THR A 51 2.855 12.075 -8.091 1.00 0.00 O ATOM 771 CG2 THR A 51 5.257 11.802 -8.082 1.00 0.00 C ATOM 0 H THR A 51 3.380 9.818 -7.034 1.00 0.00 H new ATOM 0 HA THR A 51 4.815 11.734 -5.380 1.00 0.00 H new ATOM 0 HB THR A 51 4.155 13.342 -7.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.850 11.161 -8.444 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.322 12.342 -9.027 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.157 11.988 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.167 10.734 -8.280 1.00 0.00 H new ATOM 779 N GLU A 52 2.765 13.238 -4.678 1.00 0.00 N ATOM 780 CA GLU A 52 1.632 13.818 -3.966 1.00 0.00 C ATOM 781 C GLU A 52 0.401 13.833 -4.874 1.00 0.00 C ATOM 782 O GLU A 52 -0.733 13.760 -4.408 1.00 0.00 O ATOM 783 CB GLU A 52 1.966 15.236 -3.498 1.00 0.00 C ATOM 784 CG GLU A 52 1.005 15.782 -2.451 1.00 0.00 C ATOM 785 CD GLU A 52 1.102 15.046 -1.126 1.00 0.00 C ATOM 786 OE1 GLU A 52 0.570 13.924 -1.015 1.00 0.00 O ATOM 787 OE2 GLU A 52 1.701 15.595 -0.177 1.00 0.00 O ATOM 0 H GLU A 52 3.594 13.832 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 52 1.417 13.209 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.976 15.245 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.965 15.902 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.212 16.840 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.015 15.711 -2.828 1.00 0.00 H new ATOM 794 N LYS A 53 0.646 13.898 -6.180 1.00 0.00 N ATOM 795 CA LYS A 53 -0.419 13.838 -7.172 1.00 0.00 C ATOM 796 C LYS A 53 -1.155 12.504 -7.067 1.00 0.00 C ATOM 797 O LYS A 53 -2.374 12.465 -6.900 1.00 0.00 O ATOM 798 CB LYS A 53 0.160 13.996 -8.582 1.00 0.00 C ATOM 799 CG LYS A 53 1.086 15.191 -8.742 1.00 0.00 C ATOM 800 CD LYS A 53 0.347 16.510 -8.607 1.00 0.00 C ATOM 801 CE LYS A 53 1.296 17.691 -8.741 1.00 0.00 C ATOM 802 NZ LYS A 53 2.011 17.695 -10.049 1.00 0.00 N ATOM 0 H LYS A 53 1.581 13.993 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.119 14.652 -6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.706 13.089 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.662 14.089 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.875 15.140 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.570 15.146 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.428 16.575 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.154 16.551 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.735 18.619 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.025 17.663 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.472 18.617 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.730 16.944 -10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.330 17.527 -10.817 1.00 0.00 H new ATOM 816 N ASP A 54 -0.391 11.416 -7.139 1.00 0.00 N ATOM 817 CA ASP A 54 -0.942 10.060 -7.057 1.00 0.00 C ATOM 818 C ASP A 54 -1.515 9.809 -5.671 1.00 0.00 C ATOM 819 O ASP A 54 -2.602 9.251 -5.514 1.00 0.00 O ATOM 820 CB ASP A 54 0.145 9.008 -7.320 1.00 0.00 C ATOM 821 CG ASP A 54 0.877 9.197 -8.630 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.325 8.833 -9.685 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.026 9.691 -8.609 1.00 0.00 O ATOM 0 H ASP A 54 0.622 11.446 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.723 9.977 -7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.868 9.035 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.311 8.018 -7.310 1.00 0.00 H new ATOM 828 N VAL A 55 -0.761 10.241 -4.672 1.00 0.00 N ATOM 829 CA VAL A 55 -1.091 10.012 -3.275 1.00 0.00 C ATOM 830 C VAL A 55 -2.403 10.702 -2.887 1.00 0.00 C ATOM 831 O VAL A 55 -3.152 10.200 -2.049 1.00 0.00 O ATOM 832 CB VAL A 55 0.064 10.505 -2.370 1.00 0.00 C ATOM 833 CG1 VAL A 55 -0.260 10.318 -0.904 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.355 9.776 -2.712 1.00 0.00 C ATOM 0 H VAL A 55 0.104 10.764 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.226 8.940 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 55 0.193 11.571 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.573 10.675 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.158 10.883 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.429 9.261 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.157 10.134 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.219 8.705 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.615 9.966 -3.753 1.00 0.00 H new ATOM 844 N ASN A 56 -2.690 11.842 -3.510 1.00 0.00 N ATOM 845 CA ASN A 56 -3.929 12.569 -3.232 1.00 0.00 C ATOM 846 C ASN A 56 -5.115 11.940 -3.953 1.00 0.00 C ATOM 847 O ASN A 56 -6.270 12.224 -3.626 1.00 0.00 O ATOM 848 CB ASN A 56 -3.811 14.047 -3.623 1.00 0.00 C ATOM 849 CG ASN A 56 -3.093 14.880 -2.577 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.138 14.282 -1.887 1.00 0.00 O flip ATOM 851 ND2 ASN A 56 -3.390 16.060 -2.400 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.087 12.281 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.099 12.506 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.278 14.125 -4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.809 14.456 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.134 16.487 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.893 16.612 -1.701 1.00 0.00 H new ATOM 858 N ILE A 57 -4.831 11.090 -4.933 1.00 0.00 N ATOM 859 CA ILE A 57 -5.878 10.396 -5.669 1.00 0.00 C ATOM 860 C ILE A 57 -6.424 9.237 -4.841 1.00 0.00 C ATOM 861 O ILE A 57 -7.636 9.055 -4.736 1.00 0.00 O ATOM 862 CB ILE A 57 -5.366 9.862 -7.029 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.912 11.019 -7.922 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.447 9.045 -7.728 1.00 0.00 C ATOM 865 CD1 ILE A 57 -4.315 10.573 -9.241 1.00 0.00 C ATOM 0 H ILE A 57 -3.883 10.865 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.672 11.117 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.511 9.212 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.764 11.669 -8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.175 11.615 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.067 8.679 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.727 8.199 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.321 9.672 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.017 11.447 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.442 9.948 -9.052 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.056 10.003 -9.801 1.00 0.00 H new ATOM 877 N GLY A 58 -5.516 8.459 -4.258 1.00 0.00 N ATOM 878 CA GLY A 58 -5.904 7.332 -3.429 1.00 0.00 C ATOM 879 C GLY A 58 -6.759 7.728 -2.237 1.00 0.00 C ATOM 880 O GLY A 58 -6.572 8.793 -1.649 1.00 0.00 O ATOM 0 H GLY A 58 -4.509 8.592 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.453 6.614 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.007 6.827 -3.072 1.00 0.00 H new ATOM 884 N GLU A 59 -7.697 6.858 -1.894 1.00 0.00 N ATOM 885 CA GLU A 59 -8.605 7.080 -0.779 1.00 0.00 C ATOM 886 C GLU A 59 -7.902 6.774 0.537 1.00 0.00 C ATOM 887 O GLU A 59 -7.848 7.609 1.440 1.00 0.00 O ATOM 888 CB GLU A 59 -9.827 6.168 -0.924 1.00 0.00 C ATOM 889 CG GLU A 59 -10.504 6.252 -2.281 1.00 0.00 C ATOM 890 CD GLU A 59 -11.556 7.336 -2.353 1.00 0.00 C ATOM 891 OE1 GLU A 59 -12.719 7.055 -2.000 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.240 8.460 -2.781 1.00 0.00 O ATOM 0 H GLU A 59 -7.850 5.976 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.921 8.123 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.521 5.137 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.552 6.424 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.749 6.435 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.965 5.291 -2.511 1.00 0.00 H new ATOM 899 N VAL A 60 -7.360 5.564 0.628 1.00 0.00 N ATOM 900 CA VAL A 60 -6.662 5.111 1.821 1.00 0.00 C ATOM 901 C VAL A 60 -5.248 4.674 1.470 1.00 0.00 C ATOM 902 O VAL A 60 -4.975 4.294 0.329 1.00 0.00 O ATOM 903 CB VAL A 60 -7.394 3.936 2.507 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.724 4.392 3.084 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.600 2.781 1.534 1.00 0.00 C ATOM 0 H VAL A 60 -7.393 4.873 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.635 5.952 2.514 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.768 3.583 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.222 3.548 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.551 5.176 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.354 4.779 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.117 1.966 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.198 3.120 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.632 2.430 1.176 1.00 0.00 H new ATOM 915 N VAL A 61 -4.355 4.728 2.445 1.00 0.00 N ATOM 916 CA VAL A 61 -2.973 4.340 2.235 1.00 0.00 C ATOM 917 C VAL A 61 -2.662 3.047 2.978 1.00 0.00 C ATOM 918 O VAL A 61 -2.826 2.963 4.196 1.00 0.00 O ATOM 919 CB VAL A 61 -2.001 5.433 2.716 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.576 5.079 2.335 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.387 6.794 2.155 1.00 0.00 C ATOM 0 H VAL A 61 -4.566 5.039 3.393 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.840 4.194 1.163 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.065 5.490 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.099 5.862 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.301 4.131 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.501 4.990 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.684 7.547 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.361 6.759 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.393 7.052 2.486 1.00 0.00 H new ATOM 931 N ILE A 62 -2.217 2.043 2.242 1.00 0.00 N ATOM 932 CA ILE A 62 -1.844 0.772 2.841 1.00 0.00 C ATOM 933 C ILE A 62 -0.326 0.646 2.892 1.00 0.00 C ATOM 934 O ILE A 62 0.332 0.523 1.861 1.00 0.00 O ATOM 935 CB ILE A 62 -2.432 -0.427 2.062 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.961 -0.333 2.012 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.998 -1.744 2.698 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.614 -1.439 1.208 1.00 0.00 C ATOM 0 H ILE A 62 -2.105 2.083 1.229 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.255 0.754 3.850 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.050 -0.397 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.351 -0.357 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.243 0.629 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.422 -2.576 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.910 -1.813 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.352 -1.784 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.696 -1.306 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.253 -1.403 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.363 -2.405 1.647 1.00 0.00 H new ATOM 950 N PHE A 63 0.230 0.694 4.087 1.00 0.00 N ATOM 951 CA PHE A 63 1.668 0.597 4.250 1.00 0.00 C ATOM 952 C PHE A 63 2.063 -0.782 4.733 1.00 0.00 C ATOM 953 O PHE A 63 1.994 -1.072 5.922 1.00 0.00 O ATOM 954 CB PHE A 63 2.177 1.654 5.228 1.00 0.00 C ATOM 955 CG PHE A 63 2.928 2.762 4.560 1.00 0.00 C ATOM 956 CD1 PHE A 63 2.254 3.800 3.946 1.00 0.00 C ATOM 957 CD2 PHE A 63 4.311 2.758 4.535 1.00 0.00 C ATOM 958 CE1 PHE A 63 2.943 4.819 3.325 1.00 0.00 C ATOM 959 CE2 PHE A 63 5.007 3.773 3.913 1.00 0.00 C ATOM 960 CZ PHE A 63 4.322 4.804 3.305 1.00 0.00 C ATOM 0 H PHE A 63 -0.291 0.799 4.958 1.00 0.00 H new ATOM 0 HA PHE A 63 2.125 0.772 3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.331 2.074 5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.824 1.177 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.174 3.813 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.852 1.951 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.404 5.628 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.087 3.761 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.864 5.598 2.814 1.00 0.00 H new ATOM 970 N ALA A 64 2.447 -1.640 3.806 1.00 0.00 N ATOM 971 CA ALA A 64 2.969 -2.940 4.166 1.00 0.00 C ATOM 972 C ALA A 64 4.486 -2.875 4.176 1.00 0.00 C ATOM 973 O ALA A 64 5.146 -3.110 3.161 1.00 0.00 O ATOM 974 CB ALA A 64 2.475 -4.004 3.202 1.00 0.00 C ATOM 0 H ALA A 64 2.407 -1.459 2.803 1.00 0.00 H new ATOM 0 HA ALA A 64 2.615 -3.213 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.880 -4.974 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.386 -4.043 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.804 -3.761 2.192 1.00 0.00 H new ATOM 980 N VAL A 65 5.036 -2.535 5.326 1.00 0.00 N ATOM 981 CA VAL A 65 6.460 -2.282 5.438 1.00 0.00 C ATOM 982 C VAL A 65 7.020 -2.877 6.720 1.00 0.00 C ATOM 983 O VAL A 65 6.387 -2.826 7.776 1.00 0.00 O ATOM 984 CB VAL A 65 6.788 -0.767 5.392 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.406 -0.166 4.047 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.091 -0.018 6.521 1.00 0.00 C ATOM 0 H VAL A 65 4.517 -2.427 6.198 1.00 0.00 H new ATOM 0 HA VAL A 65 6.929 -2.762 4.579 1.00 0.00 H new ATOM 0 HB VAL A 65 7.865 -0.661 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.647 0.897 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.961 -0.667 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.337 -0.297 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.340 1.042 6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.012 -0.143 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.422 -0.416 7.480 1.00 0.00 H new ATOM 996 N ASP A 66 8.196 -3.463 6.608 1.00 0.00 N ATOM 997 CA ASP A 66 8.903 -3.990 7.766 1.00 0.00 C ATOM 998 C ASP A 66 10.246 -3.295 7.920 1.00 0.00 C ATOM 999 O ASP A 66 10.972 -3.521 8.890 1.00 0.00 O ATOM 1000 CB ASP A 66 9.103 -5.502 7.637 1.00 0.00 C ATOM 1001 CG ASP A 66 8.186 -6.293 8.551 1.00 0.00 C ATOM 1002 OD1 ASP A 66 8.587 -6.566 9.704 1.00 0.00 O ATOM 1003 OD2 ASP A 66 7.067 -6.655 8.121 1.00 0.00 O ATOM 0 H ASP A 66 8.687 -3.588 5.723 1.00 0.00 H new ATOM 0 HA ASP A 66 8.300 -3.798 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.926 -5.801 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.140 -5.748 7.867 1.00 0.00 H new ATOM 1008 N THR A 67 10.565 -2.437 6.958 1.00 0.00 N ATOM 1009 CA THR A 67 11.835 -1.734 6.950 1.00 0.00 C ATOM 1010 C THR A 67 11.648 -0.237 6.715 1.00 0.00 C ATOM 1011 O THR A 67 10.557 0.308 6.907 1.00 0.00 O ATOM 1012 CB THR A 67 12.772 -2.303 5.869 1.00 0.00 C ATOM 1013 OG1 THR A 67 12.092 -2.351 4.606 1.00 0.00 O ATOM 1014 CG2 THR A 67 13.260 -3.693 6.250 1.00 0.00 C ATOM 0 H THR A 67 9.956 -2.213 6.171 1.00 0.00 H new ATOM 0 HA THR A 67 12.284 -1.880 7.932 1.00 0.00 H new ATOM 0 HB THR A 67 13.638 -1.646 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.631 -1.894 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.920 -4.073 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.804 -3.642 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.406 -4.361 6.360 1.00 0.00 H new ATOM 1022 N LYS A 68 12.724 0.416 6.300 1.00 0.00 N ATOM 1023 CA LYS A 68 12.735 1.858 6.099 1.00 0.00 C ATOM 1024 C LYS A 68 12.006 2.258 4.814 1.00 0.00 C ATOM 1025 O LYS A 68 12.074 1.556 3.803 1.00 0.00 O ATOM 1026 CB LYS A 68 14.183 2.350 6.042 1.00 0.00 C ATOM 1027 CG LYS A 68 14.314 3.857 5.950 1.00 0.00 C ATOM 1028 CD LYS A 68 15.740 4.265 5.633 1.00 0.00 C ATOM 1029 CE LYS A 68 15.901 5.771 5.668 1.00 0.00 C ATOM 1030 NZ LYS A 68 15.703 6.312 7.037 1.00 0.00 N ATOM 0 H LYS A 68 13.613 -0.038 6.093 1.00 0.00 H new ATOM 0 HA LYS A 68 12.211 2.320 6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.710 2.002 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.677 1.899 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.644 4.236 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.004 4.310 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.420 3.807 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.018 3.890 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.895 6.039 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.183 6.230 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.078 7.281 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.688 6.322 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.204 5.712 7.723 1.00 0.00 H new ATOM 1044 N VAL A 69 11.314 3.392 4.866 1.00 0.00 N ATOM 1045 CA VAL A 69 10.629 3.945 3.705 1.00 0.00 C ATOM 1046 C VAL A 69 10.734 5.471 3.713 1.00 0.00 C ATOM 1047 O VAL A 69 10.288 6.131 4.650 1.00 0.00 O ATOM 1048 CB VAL A 69 9.143 3.503 3.655 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.449 3.752 4.988 1.00 0.00 C ATOM 1050 CG2 VAL A 69 8.403 4.212 2.528 1.00 0.00 C ATOM 0 H VAL A 69 11.213 3.952 5.713 1.00 0.00 H new ATOM 0 HA VAL A 69 11.116 3.558 2.810 1.00 0.00 H new ATOM 0 HB VAL A 69 9.123 2.431 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.409 3.432 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.953 3.187 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.487 4.815 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.363 3.885 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.443 5.289 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.873 3.969 1.575 1.00 0.00 H new ATOM 1060 N ARG A 70 11.341 6.032 2.672 1.00 0.00 N ATOM 1061 CA ARG A 70 11.598 7.469 2.639 1.00 0.00 C ATOM 1062 C ARG A 70 10.435 8.238 2.012 1.00 0.00 C ATOM 1063 O ARG A 70 10.231 9.415 2.302 1.00 0.00 O ATOM 1064 CB ARG A 70 12.896 7.776 1.879 1.00 0.00 C ATOM 1065 CG ARG A 70 12.838 7.449 0.394 1.00 0.00 C ATOM 1066 CD ARG A 70 14.090 7.914 -0.335 1.00 0.00 C ATOM 1067 NE ARG A 70 14.278 9.365 -0.250 1.00 0.00 N ATOM 1068 CZ ARG A 70 14.866 10.101 -1.197 1.00 0.00 C ATOM 1069 NH1 ARG A 70 15.277 9.538 -2.329 1.00 0.00 N ATOM 1070 NH2 ARG A 70 15.031 11.404 -1.017 1.00 0.00 N ATOM 0 H ARG A 70 11.661 5.522 1.849 1.00 0.00 H new ATOM 0 HA ARG A 70 11.705 7.798 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.133 8.833 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.712 7.213 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.719 6.373 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.962 7.923 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.961 7.412 0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.028 7.619 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 70 13.939 9.843 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.144 8.538 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.725 10.106 -3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.709 11.845 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.480 11.966 -1.740 1.00 0.00 H new ATOM 1084 N ASN A 71 9.664 7.572 1.162 1.00 0.00 N ATOM 1085 CA ASN A 71 8.585 8.244 0.446 1.00 0.00 C ATOM 1086 C ASN A 71 7.349 8.379 1.322 1.00 0.00 C ATOM 1087 O ASN A 71 6.380 9.043 0.944 1.00 0.00 O ATOM 1088 CB ASN A 71 8.238 7.526 -0.852 1.00 0.00 C ATOM 1089 CG ASN A 71 8.153 8.495 -2.013 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.819 9.532 -2.015 1.00 0.00 O ATOM 1091 ND2 ASN A 71 7.349 8.165 -3.004 1.00 0.00 N ATOM 0 H ASN A 71 9.763 6.579 0.952 1.00 0.00 H new ATOM 0 HA ASN A 71 8.941 9.242 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.992 6.768 -1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.286 7.006 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.260 8.778 -3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.816 7.296 -2.961 1.00 0.00 H new ATOM 1098 N LYS A 72 7.404 7.761 2.506 1.00 0.00 N ATOM 1099 CA LYS A 72 6.324 7.844 3.492 1.00 0.00 C ATOM 1100 C LYS A 72 6.033 9.306 3.806 1.00 0.00 C ATOM 1101 O LYS A 72 4.940 9.664 4.243 1.00 0.00 O ATOM 1102 CB LYS A 72 6.706 7.085 4.770 1.00 0.00 C ATOM 1103 CG LYS A 72 5.589 7.021 5.802 1.00 0.00 C ATOM 1104 CD LYS A 72 5.996 6.207 7.020 1.00 0.00 C ATOM 1105 CE LYS A 72 4.889 6.175 8.063 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.258 5.344 9.240 1.00 0.00 N ATOM 0 H LYS A 72 8.195 7.192 2.806 1.00 0.00 H new ATOM 0 HA LYS A 72 5.427 7.383 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.001 6.070 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.576 7.563 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.321 8.031 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.700 6.580 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.239 5.189 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.899 6.632 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.670 7.191 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.978 5.782 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.720 4.454 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.276 5.134 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.036 5.862 10.114 1.00 0.00 H new ATOM 1120 N GLU A 73 7.050 10.127 3.568 1.00 0.00 N ATOM 1121 CA GLU A 73 6.963 11.580 3.625 1.00 0.00 C ATOM 1122 C GLU A 73 5.658 12.095 2.999 1.00 0.00 C ATOM 1123 O GLU A 73 5.042 13.029 3.508 1.00 0.00 O ATOM 1124 CB GLU A 73 8.160 12.147 2.861 1.00 0.00 C ATOM 1125 CG GLU A 73 8.356 13.641 3.006 1.00 0.00 C ATOM 1126 CD GLU A 73 8.817 14.026 4.392 1.00 0.00 C ATOM 1127 OE1 GLU A 73 9.982 13.740 4.732 1.00 0.00 O ATOM 1128 OE2 GLU A 73 8.015 14.602 5.153 1.00 0.00 O ATOM 0 H GLU A 73 7.981 9.791 3.324 1.00 0.00 H new ATOM 0 HA GLU A 73 6.971 11.901 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.063 11.641 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.043 11.911 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.088 13.982 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.419 14.152 2.782 1.00 0.00 H new ATOM 1135 N ARG A 74 5.240 11.471 1.898 1.00 0.00 N ATOM 1136 CA ARG A 74 4.027 11.878 1.197 1.00 0.00 C ATOM 1137 C ARG A 74 2.781 11.548 2.009 1.00 0.00 C ATOM 1138 O ARG A 74 1.972 12.423 2.312 1.00 0.00 O ATOM 1139 CB ARG A 74 3.928 11.188 -0.165 1.00 0.00 C ATOM 1140 CG ARG A 74 4.316 12.072 -1.337 1.00 0.00 C ATOM 1141 CD ARG A 74 5.576 11.572 -2.029 1.00 0.00 C ATOM 1142 NE ARG A 74 6.749 11.633 -1.157 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.790 12.439 -1.375 1.00 0.00 C ATOM 1144 NH1 ARG A 74 7.869 13.140 -2.502 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.776 12.512 -0.492 1.00 0.00 N ATOM 0 H ARG A 74 5.726 10.681 1.473 1.00 0.00 H new ATOM 0 HA ARG A 74 4.085 12.957 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.569 10.306 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.906 10.839 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.496 12.105 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.474 13.092 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.424 10.544 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.759 12.169 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 74 6.772 11.026 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.132 13.063 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.666 13.755 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.741 11.951 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.569 13.130 -0.663 1.00 0.00 H new ATOM 1159 N PHE A 75 2.653 10.282 2.377 1.00 0.00 N ATOM 1160 CA PHE A 75 1.433 9.761 2.979 1.00 0.00 C ATOM 1161 C PHE A 75 1.341 10.100 4.465 1.00 0.00 C ATOM 1162 O PHE A 75 0.391 9.702 5.132 1.00 0.00 O ATOM 1163 CB PHE A 75 1.393 8.239 2.820 1.00 0.00 C ATOM 1164 CG PHE A 75 1.907 7.733 1.495 1.00 0.00 C ATOM 1165 CD1 PHE A 75 3.267 7.564 1.284 1.00 0.00 C ATOM 1166 CD2 PHE A 75 1.034 7.423 0.468 1.00 0.00 C ATOM 1167 CE1 PHE A 75 3.743 7.096 0.074 1.00 0.00 C ATOM 1168 CE2 PHE A 75 1.505 6.953 -0.743 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.861 6.790 -0.941 1.00 0.00 C ATOM 0 H PHE A 75 3.391 9.587 2.267 1.00 0.00 H new ATOM 0 HA PHE A 75 0.590 10.226 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.981 7.788 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.365 7.900 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.963 7.801 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.028 7.550 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.805 6.970 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.811 6.713 -1.535 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.230 6.424 -1.888 1.00 0.00 H new ATOM 1179 N ASP A 76 2.307 10.857 4.970 1.00 0.00 N ATOM 1180 CA ASP A 76 2.437 11.087 6.411 1.00 0.00 C ATOM 1181 C ASP A 76 1.195 11.766 6.978 1.00 0.00 C ATOM 1182 O ASP A 76 0.730 11.427 8.067 1.00 0.00 O ATOM 1183 CB ASP A 76 3.677 11.933 6.713 1.00 0.00 C ATOM 1184 CG ASP A 76 3.969 12.026 8.201 1.00 0.00 C ATOM 1185 OD1 ASP A 76 3.424 12.932 8.871 1.00 0.00 O ATOM 1186 OD2 ASP A 76 4.752 11.193 8.708 1.00 0.00 O ATOM 0 H ASP A 76 3.016 11.325 4.405 1.00 0.00 H new ATOM 0 HA ASP A 76 2.545 10.114 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.539 11.503 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.536 12.936 6.310 1.00 0.00 H new ATOM 1191 N GLY A 77 0.648 12.709 6.225 1.00 0.00 N ATOM 1192 CA GLY A 77 -0.536 13.417 6.669 1.00 0.00 C ATOM 1193 C GLY A 77 -1.814 12.817 6.120 1.00 0.00 C ATOM 1194 O GLY A 77 -2.873 13.439 6.171 1.00 0.00 O ATOM 0 H GLY A 77 1.003 12.997 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.573 13.408 7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.468 14.460 6.361 1.00 0.00 H new ATOM 1198 N LYS A 78 -1.722 11.606 5.592 1.00 0.00 N ATOM 1199 CA LYS A 78 -2.880 10.928 5.033 1.00 0.00 C ATOM 1200 C LYS A 78 -3.284 9.748 5.905 1.00 0.00 C ATOM 1201 O LYS A 78 -2.654 9.479 6.927 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.606 10.463 3.599 1.00 0.00 C ATOM 1203 CG LYS A 78 -3.052 11.462 2.541 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.232 12.743 2.566 1.00 0.00 C ATOM 1205 CE LYS A 78 -0.993 12.635 1.699 1.00 0.00 C ATOM 1206 NZ LYS A 78 -0.338 13.955 1.513 1.00 0.00 N ATOM 0 H LYS A 78 -0.855 11.072 5.539 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.705 11.640 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.538 10.276 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.116 9.514 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.972 11.003 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.103 11.705 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.846 13.575 2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.940 12.967 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.288 11.940 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.263 12.222 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.342 14.206 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.856 14.678 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.644 13.907 1.853 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.330 9.048 5.496 1.00 0.00 N ATOM 1221 CA VAL A 79 -4.854 7.933 6.276 1.00 0.00 C ATOM 1222 C VAL A 79 -4.069 6.657 5.973 1.00 0.00 C ATOM 1223 O VAL A 79 -4.266 6.007 4.945 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.372 7.732 6.036 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.684 7.641 4.551 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -6.884 6.503 6.773 1.00 0.00 C ATOM 0 H VAL A 79 -4.835 9.230 4.629 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.727 8.171 7.332 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.889 8.604 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.756 7.500 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.372 8.561 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.148 6.797 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.952 6.386 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.355 5.619 6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.713 6.623 7.843 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.156 6.322 6.871 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.235 5.219 6.650 1.00 0.00 C ATOM 1238 C VAL A 80 -2.499 4.063 7.603 1.00 0.00 C ATOM 1239 O VAL A 80 -2.587 4.252 8.817 1.00 0.00 O ATOM 1240 CB VAL A 80 -0.771 5.678 6.821 1.00 0.00 C ATOM 1241 CG1 VAL A 80 0.191 4.513 6.650 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.439 6.785 5.837 1.00 0.00 C ATOM 0 H VAL A 80 -3.033 6.801 7.763 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.397 4.878 5.627 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.658 6.066 7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.215 4.865 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.025 3.750 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.073 4.087 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.597 7.095 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.578 6.421 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.098 7.636 6.011 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.639 2.875 7.041 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.659 1.658 7.828 1.00 0.00 C ATOM 1254 C LEU A 81 -1.306 0.974 7.707 1.00 0.00 C ATOM 1255 O LEU A 81 -0.902 0.589 6.608 1.00 0.00 O ATOM 1256 CB LEU A 81 -3.751 0.707 7.353 1.00 0.00 C ATOM 1257 CG LEU A 81 -3.849 -0.586 8.159 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -4.647 -0.371 9.438 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.452 -1.688 7.315 1.00 0.00 C ATOM 0 H LEU A 81 -2.741 2.729 6.037 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.867 1.918 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.710 1.223 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.570 0.457 6.307 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.843 -0.891 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.702 -1.307 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.157 0.386 10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.654 -0.038 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.515 -2.603 7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.451 -1.394 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.825 -1.861 6.441 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.602 0.831 8.817 1.00 0.00 N ATOM 1272 CA GLU A 82 0.728 0.248 8.788 1.00 0.00 C ATOM 1273 C GLU A 82 0.665 -1.235 9.138 1.00 0.00 C ATOM 1274 O GLU A 82 0.519 -1.618 10.303 1.00 0.00 O ATOM 1275 CB GLU A 82 1.669 1.000 9.729 1.00 0.00 C ATOM 1276 CG GLU A 82 3.141 0.766 9.428 1.00 0.00 C ATOM 1277 CD GLU A 82 4.049 1.667 10.237 1.00 0.00 C ATOM 1278 OE1 GLU A 82 4.252 2.836 9.834 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.550 1.217 11.291 1.00 0.00 O ATOM 0 H GLU A 82 -0.926 1.108 9.743 1.00 0.00 H new ATOM 0 HA GLU A 82 1.127 0.340 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.458 2.067 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.463 0.696 10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.390 -0.275 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.322 0.932 8.366 1.00 0.00 H new ATOM 1286 N VAL A 83 0.752 -2.054 8.105 1.00 0.00 N ATOM 1287 CA VAL A 83 0.652 -3.500 8.224 1.00 0.00 C ATOM 1288 C VAL A 83 2.001 -4.159 7.910 1.00 0.00 C ATOM 1289 O VAL A 83 2.757 -3.665 7.073 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.467 -4.044 7.279 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -0.986 -2.938 6.373 1.00 0.00 C ATOM 1292 CG2 VAL A 83 0.010 -5.212 6.428 1.00 0.00 C ATOM 0 H VAL A 83 0.896 -1.731 7.148 1.00 0.00 H new ATOM 0 HA VAL A 83 0.385 -3.749 9.251 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.271 -4.403 7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.765 -3.336 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.398 -2.133 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.168 -2.551 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.805 -5.553 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.848 -4.892 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.329 -6.028 7.076 1.00 0.00 H new ATOM 1302 N PRO A 84 2.332 -5.268 8.599 1.00 0.00 N ATOM 1303 CA PRO A 84 3.548 -6.047 8.317 1.00 0.00 C ATOM 1304 C PRO A 84 3.594 -6.521 6.865 1.00 0.00 C ATOM 1305 O PRO A 84 2.567 -6.893 6.292 1.00 0.00 O ATOM 1306 CB PRO A 84 3.437 -7.242 9.268 1.00 0.00 C ATOM 1307 CG PRO A 84 2.543 -6.774 10.363 1.00 0.00 C ATOM 1308 CD PRO A 84 1.562 -5.837 9.717 1.00 0.00 C ATOM 0 HA PRO A 84 4.456 -5.461 8.461 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.020 -8.113 8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.414 -7.534 9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.031 -7.612 10.835 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.112 -6.268 11.143 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.673 -6.362 9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.226 -5.065 10.409 1.00 0.00 H new ATOM 1316 N VAL A 85 4.789 -6.540 6.286 1.00 0.00 N ATOM 1317 CA VAL A 85 4.954 -6.801 4.855 1.00 0.00 C ATOM 1318 C VAL A 85 4.451 -8.203 4.458 1.00 0.00 C ATOM 1319 O VAL A 85 4.137 -8.455 3.292 1.00 0.00 O ATOM 1320 CB VAL A 85 6.433 -6.625 4.425 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.309 -7.738 4.981 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.558 -6.539 2.912 1.00 0.00 C ATOM 0 H VAL A 85 5.663 -6.377 6.785 1.00 0.00 H new ATOM 0 HA VAL A 85 4.342 -6.068 4.329 1.00 0.00 H new ATOM 0 HB VAL A 85 6.787 -5.684 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.339 -7.584 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.262 -7.728 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.954 -8.700 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.606 -6.416 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.171 -7.454 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.986 -5.686 2.548 1.00 0.00 H new ATOM 1332 N SER A 86 4.379 -9.111 5.421 1.00 0.00 N ATOM 1333 CA SER A 86 3.909 -10.468 5.162 1.00 0.00 C ATOM 1334 C SER A 86 2.389 -10.532 4.971 1.00 0.00 C ATOM 1335 O SER A 86 1.884 -11.390 4.244 1.00 0.00 O ATOM 1336 CB SER A 86 4.330 -11.388 6.308 1.00 0.00 C ATOM 1337 OG SER A 86 5.737 -11.357 6.495 1.00 0.00 O ATOM 0 H SER A 86 4.640 -8.934 6.391 1.00 0.00 H new ATOM 0 HA SER A 86 4.366 -10.801 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.831 -11.082 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.010 -12.408 6.096 1.00 0.00 H new ATOM 0 HG SER A 86 5.982 -11.952 7.234 1.00 0.00 H new ATOM 1343 N ALA A 87 1.666 -9.611 5.604 1.00 0.00 N ATOM 1344 CA ALA A 87 0.201 -9.680 5.665 1.00 0.00 C ATOM 1345 C ALA A 87 -0.483 -9.640 4.284 1.00 0.00 C ATOM 1346 O ALA A 87 -1.305 -10.510 3.990 1.00 0.00 O ATOM 1347 CB ALA A 87 -0.349 -8.583 6.569 1.00 0.00 C ATOM 0 H ALA A 87 2.068 -8.806 6.084 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.037 -10.656 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.436 -8.650 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.053 -8.705 7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.057 -7.609 6.177 1.00 0.00 H new ATOM 1353 N PRO A 88 -0.167 -8.655 3.407 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.862 -8.494 2.113 1.00 0.00 C ATOM 1355 C PRO A 88 -0.659 -9.667 1.155 1.00 0.00 C ATOM 1356 O PRO A 88 -1.263 -9.715 0.085 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.241 -7.226 1.523 1.00 0.00 C ATOM 1358 CG PRO A 88 1.078 -7.104 2.196 1.00 0.00 C ATOM 1359 CD PRO A 88 0.869 -7.621 3.589 1.00 0.00 C ATOM 0 HA PRO A 88 -1.941 -8.443 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.128 -7.306 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.865 -6.353 1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.840 -7.682 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.417 -6.068 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.786 -8.037 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.539 -6.834 4.266 1.00 0.00 H new ATOM 1367 N ILE A 89 0.188 -10.609 1.530 1.00 0.00 N ATOM 1368 CA ILE A 89 0.431 -11.772 0.695 1.00 0.00 C ATOM 1369 C ILE A 89 -0.659 -12.821 0.912 1.00 0.00 C ATOM 1370 O ILE A 89 -1.111 -13.465 -0.034 1.00 0.00 O ATOM 1371 CB ILE A 89 1.817 -12.384 0.976 1.00 0.00 C ATOM 1372 CG1 ILE A 89 2.900 -11.321 0.779 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.074 -13.583 0.070 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.300 -11.812 1.063 1.00 0.00 C ATOM 0 H ILE A 89 0.717 -10.592 2.402 1.00 0.00 H new ATOM 0 HA ILE A 89 0.409 -11.445 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 89 1.843 -12.732 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.855 -10.956 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.685 -10.473 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.058 -13.998 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.313 -14.343 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.035 -13.266 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.010 -11.001 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.364 -12.149 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.537 -12.641 0.396 1.00 0.00 H new ATOM 1386 N LYS A 90 -1.099 -12.965 2.155 1.00 0.00 N ATOM 1387 CA LYS A 90 -2.129 -13.942 2.487 1.00 0.00 C ATOM 1388 C LYS A 90 -3.514 -13.303 2.517 1.00 0.00 C ATOM 1389 O LYS A 90 -4.495 -13.898 2.072 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.840 -14.586 3.846 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.607 -15.473 3.865 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.402 -16.092 5.238 1.00 0.00 C ATOM 1393 CE LYS A 90 0.757 -17.077 5.248 1.00 0.00 C ATOM 1394 NZ LYS A 90 2.033 -16.446 4.818 1.00 0.00 N ATOM 0 H LYS A 90 -0.761 -12.420 2.948 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.115 -14.706 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.719 -13.799 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.705 -15.178 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.710 -16.261 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.271 -14.888 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.215 -15.304 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.315 -16.602 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.876 -17.486 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.527 -17.913 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.818 -17.112 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.976 -16.200 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.199 -15.584 5.375 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.587 -12.085 3.028 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.869 -11.443 3.292 1.00 0.00 C ATOM 1410 C ASP A 91 -4.993 -10.110 2.565 1.00 0.00 C ATOM 1411 O ASP A 91 -5.465 -9.135 3.142 1.00 0.00 O ATOM 1412 CB ASP A 91 -5.055 -11.225 4.795 1.00 0.00 C ATOM 1413 CG ASP A 91 -5.180 -12.521 5.573 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -6.239 -13.179 5.478 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -4.233 -12.878 6.300 1.00 0.00 O ATOM 0 H ASP A 91 -2.774 -11.518 3.269 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.648 -12.108 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.209 -10.657 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.947 -10.621 4.961 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.572 -10.068 1.308 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.611 -8.831 0.522 1.00 0.00 C ATOM 1422 C ALA A 92 -6.007 -8.204 0.497 1.00 0.00 C ATOM 1423 O ALA A 92 -6.153 -7.005 0.707 1.00 0.00 O ATOM 1424 CB ALA A 92 -4.132 -9.085 -0.896 1.00 0.00 C ATOM 0 H ALA A 92 -4.199 -10.874 0.806 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.940 -8.123 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.168 -8.156 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.108 -9.457 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.776 -9.825 -1.370 1.00 0.00 H new ATOM 1430 N GLU A 93 -7.033 -9.002 0.239 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.397 -8.480 0.224 1.00 0.00 C ATOM 1432 C GLU A 93 -8.792 -7.998 1.618 1.00 0.00 C ATOM 1433 O GLU A 93 -9.525 -7.022 1.775 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.395 -9.542 -0.256 1.00 0.00 C ATOM 1435 CG GLU A 93 -9.034 -10.187 -1.585 1.00 0.00 C ATOM 1436 CD GLU A 93 -8.194 -11.439 -1.418 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -6.977 -11.321 -1.164 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -8.756 -12.550 -1.535 1.00 0.00 O ATOM 0 H GLU A 93 -6.953 -9.999 0.040 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.425 -7.642 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.472 -10.321 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.380 -9.084 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.948 -10.437 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.490 -9.468 -2.197 1.00 0.00 H new ATOM 1445 N LYS A 94 -8.269 -8.673 2.628 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.608 -8.377 4.012 1.00 0.00 C ATOM 1447 C LYS A 94 -7.924 -7.089 4.458 1.00 0.00 C ATOM 1448 O LYS A 94 -8.509 -6.275 5.167 1.00 0.00 O ATOM 1449 CB LYS A 94 -8.198 -9.546 4.910 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.587 -9.382 6.372 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.120 -10.566 7.203 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.819 -11.853 6.788 1.00 0.00 C ATOM 1453 NZ LYS A 94 -8.196 -13.047 7.419 1.00 0.00 N ATOM 0 H LYS A 94 -7.602 -9.436 2.515 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.686 -8.238 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.652 -10.460 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.118 -9.676 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.151 -8.464 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.669 -9.282 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.042 -10.685 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.314 -10.370 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.871 -11.802 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.782 -11.954 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.880 -13.830 7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.357 -13.329 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.915 -12.818 8.394 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.685 -6.912 4.018 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.899 -5.734 4.360 1.00 0.00 C ATOM 1469 C VAL A 95 -6.524 -4.489 3.739 1.00 0.00 C ATOM 1470 O VAL A 95 -6.525 -3.408 4.330 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.432 -5.904 3.891 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -4.260 -5.639 2.407 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.488 -5.043 4.710 1.00 0.00 C ATOM 0 H VAL A 95 -6.199 -7.577 3.417 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.896 -5.617 5.444 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.173 -6.949 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.214 -5.772 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.876 -6.336 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.567 -4.618 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.467 -5.185 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.767 -3.995 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.552 -5.330 5.760 1.00 0.00 H new ATOM 1483 N ILE A 96 -7.071 -4.670 2.546 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.811 -3.616 1.864 1.00 0.00 C ATOM 1485 C ILE A 96 -9.043 -3.222 2.679 1.00 0.00 C ATOM 1486 O ILE A 96 -9.275 -2.043 2.943 1.00 0.00 O ATOM 1487 CB ILE A 96 -8.234 -4.053 0.441 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.998 -4.221 -0.447 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -9.199 -3.043 -0.169 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -7.311 -4.706 -1.847 1.00 0.00 C ATOM 0 H ILE A 96 -7.016 -5.545 2.025 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.152 -2.753 1.770 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.748 -5.012 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.476 -3.266 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.315 -4.926 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.483 -3.370 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.089 -2.968 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.715 -2.068 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.385 -4.800 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.805 -5.676 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.969 -3.991 -2.341 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.811 -4.222 3.098 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.998 -3.989 3.918 1.00 0.00 C ATOM 1504 C ASN A 97 -10.624 -3.369 5.260 1.00 0.00 C ATOM 1505 O ASN A 97 -11.364 -2.549 5.800 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.778 -5.289 4.145 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.668 -5.662 2.972 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.816 -5.227 2.888 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.153 -6.476 2.065 1.00 0.00 N ATOM 0 H ASN A 97 -9.634 -5.203 2.884 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.635 -3.291 3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.074 -6.100 4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.391 -5.186 5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.712 -6.764 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.197 -6.816 2.169 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.468 -3.761 5.790 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.973 -3.219 7.051 1.00 0.00 C ATOM 1518 C ALA A 98 -8.725 -1.719 6.936 1.00 0.00 C ATOM 1519 O ALA A 98 -9.100 -0.951 7.819 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.702 -3.938 7.475 1.00 0.00 C ATOM 0 H ALA A 98 -8.855 -4.455 5.363 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.734 -3.380 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.346 -3.522 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.910 -5.000 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.938 -3.808 6.709 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.101 -1.306 5.836 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.854 0.110 5.583 1.00 0.00 C ATOM 1528 C ALA A 99 -9.167 0.850 5.354 1.00 0.00 C ATOM 1529 O ALA A 99 -9.313 2.015 5.727 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.926 0.280 4.389 1.00 0.00 C ATOM 0 H ALA A 99 -7.758 -1.931 5.107 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.370 0.540 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.751 1.341 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.977 -0.215 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.385 -0.164 3.506 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.129 0.158 4.754 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.450 0.730 4.522 1.00 0.00 C ATOM 1538 C LEU A 100 -12.172 0.988 5.840 1.00 0.00 C ATOM 1539 O LEU A 100 -12.985 1.901 5.937 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.300 -0.192 3.640 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.790 -0.386 2.212 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.687 -1.355 1.455 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.712 0.950 1.485 1.00 0.00 C ATOM 0 H LEU A 100 -10.019 -0.799 4.420 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.310 1.680 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.365 -1.168 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.313 0.209 3.595 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.787 -0.809 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.310 -1.482 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.692 -2.319 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.702 -0.959 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.347 0.791 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.703 1.402 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.030 1.614 2.016 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.862 0.189 6.854 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.501 0.314 8.161 1.00 0.00 C ATOM 1557 C ALA A 101 -12.217 1.673 8.803 1.00 0.00 C ATOM 1558 O ALA A 101 -12.977 2.136 9.654 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.046 -0.807 9.081 1.00 0.00 C ATOM 0 H ALA A 101 -11.168 -0.557 6.797 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.578 0.238 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.531 -0.701 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.316 -1.768 8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.965 -0.757 9.208 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.133 2.309 8.380 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.739 3.601 8.929 1.00 0.00 C ATOM 1567 C LEU A 102 -11.746 4.697 8.574 1.00 0.00 C ATOM 1568 O LEU A 102 -12.055 5.556 9.402 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.339 3.993 8.436 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.162 3.374 9.200 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -8.243 3.715 10.677 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.106 1.868 9.001 1.00 0.00 C ATOM 0 H LEU A 102 -10.509 1.951 7.657 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.720 3.501 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.253 3.713 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.248 5.078 8.485 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.243 3.799 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.399 3.266 11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.214 4.797 10.803 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.174 3.326 11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.261 1.459 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.030 1.418 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.987 1.645 7.941 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.265 4.666 7.351 1.00 0.00 N ATOM 1585 CA ILE A 103 -13.186 5.705 6.895 1.00 0.00 C ATOM 1586 C ILE A 103 -14.582 5.149 6.601 1.00 0.00 C ATOM 1587 O ILE A 103 -15.588 5.727 7.011 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.648 6.446 5.649 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.279 5.454 4.539 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -11.446 7.304 6.023 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.876 6.119 3.241 1.00 0.00 C ATOM 0 H ILE A 103 -12.067 3.940 6.662 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.266 6.417 7.716 1.00 0.00 H new ATOM 0 HB ILE A 103 -13.436 7.097 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.459 4.824 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.129 4.798 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.077 7.820 5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.742 8.037 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.658 6.669 6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.629 5.356 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.702 6.727 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.006 6.754 3.412 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.639 4.025 5.902 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.910 3.401 5.547 1.00 0.00 C ATOM 1605 C ASP A 104 -16.402 2.523 6.685 1.00 0.00 C ATOM 1606 O ASP A 104 -17.590 2.519 7.011 1.00 0.00 O ATOM 1607 CB ASP A 104 -15.762 2.553 4.278 1.00 0.00 C ATOM 1608 CG ASP A 104 -15.837 3.362 2.996 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -15.304 4.489 2.956 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -16.431 2.867 2.013 1.00 0.00 O ATOM 0 H ASP A 104 -13.817 3.523 5.567 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.635 4.194 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.808 2.028 4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -16.544 1.794 4.265 1.00 0.00 H new ATOM 1615 N GLU A 105 -15.465 1.795 7.286 1.00 0.00 N ATOM 1616 CA GLU A 105 -15.764 0.850 8.360 1.00 0.00 C ATOM 1617 C GLU A 105 -16.730 -0.225 7.877 1.00 0.00 C ATOM 1618 O GLU A 105 -17.943 -0.122 8.059 1.00 0.00 O ATOM 1619 CB GLU A 105 -16.327 1.569 9.591 1.00 0.00 C ATOM 1620 CG GLU A 105 -16.560 0.652 10.777 1.00 0.00 C ATOM 1621 CD GLU A 105 -17.084 1.391 11.987 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -16.261 1.891 12.782 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -18.319 1.474 12.154 1.00 0.00 O ATOM 0 H GLU A 105 -14.476 1.843 7.042 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.830 0.369 8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.639 2.361 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.269 2.048 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.269 -0.127 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.626 0.154 11.036 1.00 0.00 H new ATOM 1630 N LYS A 106 -16.190 -1.242 7.225 1.00 0.00 N ATOM 1631 CA LYS A 106 -17.002 -2.330 6.715 1.00 0.00 C ATOM 1632 C LYS A 106 -16.535 -3.641 7.326 1.00 0.00 C ATOM 1633 O LYS A 106 -15.874 -4.433 6.625 1.00 0.00 O ATOM 1634 CB LYS A 106 -16.917 -2.392 5.185 1.00 0.00 C ATOM 1635 CG LYS A 106 -17.288 -1.087 4.490 1.00 0.00 C ATOM 1636 CD LYS A 106 -18.719 -0.664 4.794 1.00 0.00 C ATOM 1637 CE LYS A 106 -19.731 -1.659 4.250 1.00 0.00 C ATOM 1638 NZ LYS A 106 -21.125 -1.217 4.502 1.00 0.00 N ATOM 1639 OXT LYS A 106 -16.796 -3.855 8.526 1.00 0.00 O ATOM 0 H LYS A 106 -15.192 -1.335 7.037 1.00 0.00 H new ATOM 0 HA LYS A 106 -18.043 -2.158 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.902 -2.668 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -17.576 -3.183 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.603 -0.301 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.165 -1.202 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -18.848 -0.567 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -18.907 0.319 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -19.577 -1.785 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -19.569 -2.633 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -21.787 -1.921 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.279 -1.121 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.287 -0.300 4.040 1.00 0.00 H new TER 1653 LYS A 106