USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 906 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 106 THR OG1 : rot -164:sc= 0.289 USER MOD Set 1.2: A 108 SER OG : rot -169:sc= 0.924 USER MOD Set 1.3: A 111 HIS : no HD1:sc= 0.266 K(o=1.5,f=-8.4!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.847 K(o=0.053,f=-8.4!) USER MOD Set 2.2: A 67 SER OG : rot -170:sc= -0.36 USER MOD Set 2.3: A 69 SER OG : rot 129:sc= 1.26 USER MOD Set 3.1: A 12 SER OG : rot 72:sc= 0.0581 USER MOD Set 3.2: A 116 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00294 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.05 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.00053) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 110:sc= -0.355 USER MOD Single : A 17 LYS NZ :NH3+ 129:sc= 2.35 (180deg=0.106) USER MOD Single : A 18 HIS : no HE2:sc= -0.413 X(o=-0.41,f=-0.82) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 20 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.81) USER MOD Single : A 21 SER OG : rot 73:sc= 0.859 USER MOD Single : A 25 SER OG : rot -77:sc= 1.3 USER MOD Single : A 26 SER OG : rot -76:sc= 0.947 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0706 F(o=-0.95,f=-0.071) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.13) USER MOD Single : A 44 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.3!) USER MOD Single : A 46 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.08) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.869) USER MOD Single : A 52 SER OG : rot -39:sc= 0.327 USER MOD Single : A 59 SER OG : rot -161:sc= 1.26 USER MOD Single : A 62 SER OG : rot -108:sc= 1.27 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0189 F(o=-0.94,f=-0.019) USER MOD Single : A 65 SER OG : rot 101:sc= -1.95! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 54:sc= 1.23 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0881 F(o=-0.84,f=-0.088) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0265 (180deg=-0.289) USER MOD Single : A 92 SER OG : rot 60:sc= 0.0977 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 145:sc= -0.486 (180deg=-4.02!) USER MOD Single : A 101 SER OG : rot -160:sc= -0.0481 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.749 17.568 -16.040 1.00 73.34 N ATOM 2 CA GLY A 1 -0.634 17.977 -14.628 1.00 14.22 C ATOM 3 C GLY A 1 0.162 19.248 -14.477 1.00 32.44 C ATOM 4 O GLY A 1 -0.035 20.200 -15.230 1.00 34.44 O ATOM 0 H1 GLY A 1 -1.704 17.195 -16.217 1.00 73.34 H new ATOM 0 H2 GLY A 1 -0.579 18.390 -16.654 1.00 73.34 H new ATOM 0 H3 GLY A 1 -0.046 16.830 -16.246 1.00 73.34 H new ATOM 0 HA2 GLY A 1 -1.630 18.120 -14.209 1.00 14.22 H new ATOM 0 HA3 GLY A 1 -0.159 17.180 -14.056 1.00 14.22 H new ATOM 10 N SER A 2 1.068 19.272 -13.528 1.00 50.03 N ATOM 11 CA SER A 2 1.875 20.446 -13.293 1.00 3.20 C ATOM 12 C SER A 2 3.251 20.053 -12.789 1.00 70.11 C ATOM 13 O SER A 2 3.431 18.969 -12.229 1.00 72.55 O ATOM 14 CB SER A 2 1.177 21.368 -12.284 1.00 14.43 C ATOM 15 OG SER A 2 1.931 22.547 -12.050 1.00 72.45 O ATOM 0 H SER A 2 1.265 18.489 -12.904 1.00 50.03 H new ATOM 0 HA SER A 2 1.997 20.982 -14.234 1.00 3.20 H new ATOM 0 HB2 SER A 2 0.188 21.635 -12.657 1.00 14.43 H new ATOM 0 HB3 SER A 2 1.030 20.836 -11.344 1.00 14.43 H new ATOM 0 HG SER A 2 1.460 23.114 -11.405 1.00 72.45 H new ATOM 21 N HIS A 3 4.222 20.926 -13.005 1.00 54.13 N ATOM 22 CA HIS A 3 5.574 20.696 -12.525 1.00 62.33 C ATOM 23 C HIS A 3 5.665 21.098 -11.066 1.00 34.02 C ATOM 24 O HIS A 3 6.525 20.621 -10.324 1.00 3.03 O ATOM 25 CB HIS A 3 6.588 21.487 -13.353 1.00 11.15 C ATOM 26 CG HIS A 3 6.660 21.071 -14.791 1.00 31.33 C ATOM 27 ND1 HIS A 3 6.241 21.873 -15.824 1.00 52.25 N ATOM 28 CD2 HIS A 3 7.116 19.934 -15.365 1.00 44.11 C ATOM 29 CE1 HIS A 3 6.433 21.253 -16.969 1.00 50.12 C ATOM 30 NE2 HIS A 3 6.964 20.074 -16.720 1.00 44.30 N ATOM 0 H HIS A 3 4.098 21.803 -13.511 1.00 54.13 H new ATOM 0 HA HIS A 3 5.808 19.636 -12.627 1.00 62.33 H new ATOM 0 HB2 HIS A 3 6.334 22.546 -13.304 1.00 11.15 H new ATOM 0 HB3 HIS A 3 7.575 21.375 -12.903 1.00 11.15 H new ATOM 0 HD2 HIS A 3 7.524 19.076 -14.851 1.00 44.11 H new ATOM 0 HE1 HIS A 3 6.195 21.645 -17.947 1.00 50.12 H new ATOM 0 HE2 HIS A 3 7.220 19.379 -17.421 1.00 44.30 H new ATOM 39 N MET A 4 4.765 21.980 -10.661 1.00 73.43 N ATOM 40 CA MET A 4 4.699 22.434 -9.290 1.00 2.01 C ATOM 41 C MET A 4 3.872 21.458 -8.481 1.00 3.23 C ATOM 42 O MET A 4 2.636 21.525 -8.472 1.00 70.44 O ATOM 43 CB MET A 4 4.090 23.845 -9.201 1.00 74.22 C ATOM 44 CG MET A 4 4.885 24.928 -9.928 1.00 20.44 C ATOM 45 SD MET A 4 4.821 24.771 -11.729 1.00 32.44 S ATOM 46 CE MET A 4 5.837 26.160 -12.223 1.00 21.10 C ATOM 0 H MET A 4 4.065 22.397 -11.274 1.00 73.43 H new ATOM 0 HA MET A 4 5.711 22.482 -8.888 1.00 2.01 H new ATOM 0 HB2 MET A 4 3.080 23.817 -9.611 1.00 74.22 H new ATOM 0 HB3 MET A 4 4.000 24.122 -8.151 1.00 74.22 H new ATOM 0 HG2 MET A 4 4.500 25.907 -9.641 1.00 20.44 H new ATOM 0 HG3 MET A 4 5.925 24.887 -9.603 1.00 20.44 H new ATOM 0 HE1 MET A 4 5.895 26.200 -13.311 1.00 21.10 H new ATOM 0 HE2 MET A 4 5.396 27.084 -11.849 1.00 21.10 H new ATOM 0 HE3 MET A 4 6.839 26.043 -11.810 1.00 21.10 H new ATOM 56 N GLU A 5 4.551 20.536 -7.827 1.00 75.31 N ATOM 57 CA GLU A 5 3.892 19.502 -7.059 1.00 1.00 C ATOM 58 C GLU A 5 3.336 20.069 -5.750 1.00 63.35 C ATOM 59 O GLU A 5 4.033 20.790 -5.025 1.00 20.43 O ATOM 60 CB GLU A 5 4.860 18.343 -6.792 1.00 52.53 C ATOM 61 CG GLU A 5 5.528 17.806 -8.053 1.00 13.53 C ATOM 62 CD GLU A 5 6.299 16.520 -7.819 1.00 0.43 C ATOM 63 OE1 GLU A 5 7.412 16.574 -7.247 1.00 71.41 O ATOM 64 OE2 GLU A 5 5.800 15.448 -8.221 1.00 21.30 O ATOM 0 H GLU A 5 5.570 20.484 -7.814 1.00 75.31 H new ATOM 0 HA GLU A 5 3.051 19.120 -7.638 1.00 1.00 H new ATOM 0 HB2 GLU A 5 5.630 18.676 -6.096 1.00 52.53 H new ATOM 0 HB3 GLU A 5 4.318 17.533 -6.304 1.00 52.53 H new ATOM 0 HG2 GLU A 5 4.767 17.633 -8.814 1.00 13.53 H new ATOM 0 HG3 GLU A 5 6.207 18.562 -8.447 1.00 13.53 H new ATOM 71 N PRO A 6 2.062 19.766 -5.446 1.00 24.45 N ATOM 72 CA PRO A 6 1.382 20.267 -4.243 1.00 54.34 C ATOM 73 C PRO A 6 1.870 19.596 -2.956 1.00 15.24 C ATOM 74 O PRO A 6 2.500 18.537 -2.993 1.00 63.02 O ATOM 75 CB PRO A 6 -0.083 19.914 -4.501 1.00 52.21 C ATOM 76 CG PRO A 6 -0.027 18.717 -5.384 1.00 55.22 C ATOM 77 CD PRO A 6 1.180 18.902 -6.259 1.00 45.33 C ATOM 0 HA PRO A 6 1.568 21.330 -4.089 1.00 54.34 H new ATOM 0 HB2 PRO A 6 -0.609 19.697 -3.571 1.00 52.21 H new ATOM 0 HB3 PRO A 6 -0.611 20.738 -4.981 1.00 52.21 H new ATOM 0 HG2 PRO A 6 0.054 17.803 -4.796 1.00 55.22 H new ATOM 0 HG3 PRO A 6 -0.934 18.632 -5.983 1.00 55.22 H new ATOM 0 HD2 PRO A 6 1.656 17.950 -6.494 1.00 45.33 H new ATOM 0 HD3 PRO A 6 0.921 19.372 -7.208 1.00 45.33 H new ATOM 85 N ALA A 7 1.564 20.214 -1.823 1.00 72.22 N ATOM 86 CA ALA A 7 1.972 19.687 -0.528 1.00 3.33 C ATOM 87 C ALA A 7 0.874 18.827 0.089 1.00 4.20 C ATOM 88 O ALA A 7 1.102 18.124 1.078 1.00 1.35 O ATOM 89 CB ALA A 7 2.345 20.823 0.409 1.00 55.13 C ATOM 0 H ALA A 7 1.033 21.084 -1.775 1.00 72.22 H new ATOM 0 HA ALA A 7 2.846 19.055 -0.681 1.00 3.33 H new ATOM 0 HB1 ALA A 7 2.648 20.415 1.373 1.00 55.13 H new ATOM 0 HB2 ALA A 7 3.170 21.392 -0.019 1.00 55.13 H new ATOM 0 HB3 ALA A 7 1.485 21.478 0.547 1.00 55.13 H new ATOM 95 N ARG A 8 -0.316 18.898 -0.482 1.00 53.14 N ATOM 96 CA ARG A 8 -1.447 18.112 -0.005 1.00 65.50 C ATOM 97 C ARG A 8 -1.921 17.153 -1.081 1.00 60.25 C ATOM 98 O ARG A 8 -2.285 17.572 -2.185 1.00 44.24 O ATOM 99 CB ARG A 8 -2.605 19.018 0.410 1.00 34.21 C ATOM 100 CG ARG A 8 -2.326 19.874 1.630 1.00 42.24 C ATOM 101 CD ARG A 8 -3.493 20.797 1.913 1.00 44.32 C ATOM 102 NE ARG A 8 -3.316 21.557 3.144 1.00 65.24 N ATOM 103 CZ ARG A 8 -3.676 22.832 3.299 1.00 3.21 C ATOM 104 NH1 ARG A 8 -4.149 23.529 2.265 1.00 21.21 N ATOM 105 NH2 ARG A 8 -3.550 23.419 4.483 1.00 11.21 N ATOM 0 H ARG A 8 -0.527 19.495 -1.282 1.00 53.14 H new ATOM 0 HA ARG A 8 -1.113 17.544 0.863 1.00 65.50 H new ATOM 0 HB2 ARG A 8 -2.857 19.670 -0.426 1.00 34.21 H new ATOM 0 HB3 ARG A 8 -3.481 18.400 0.608 1.00 34.21 H new ATOM 0 HG2 ARG A 8 -2.143 19.236 2.494 1.00 42.24 H new ATOM 0 HG3 ARG A 8 -1.422 20.461 1.470 1.00 42.24 H new ATOM 0 HD2 ARG A 8 -3.617 21.487 1.078 1.00 44.32 H new ATOM 0 HD3 ARG A 8 -4.409 20.210 1.981 1.00 44.32 H new ATOM 0 HE ARG A 8 -2.889 21.083 3.939 1.00 65.24 H new ATOM 0 HH11 ARG A 8 -4.237 23.087 1.350 1.00 21.21 H new ATOM 0 HH12 ARG A 8 -4.423 24.504 2.389 1.00 21.21 H new ATOM 0 HH21 ARG A 8 -3.178 22.895 5.275 1.00 11.21 H new ATOM 0 HH22 ARG A 8 -3.825 24.394 4.601 1.00 11.21 H new ATOM 119 N VAL A 9 -1.917 15.876 -0.765 1.00 62.12 N ATOM 120 CA VAL A 9 -2.352 14.859 -1.706 1.00 64.04 C ATOM 121 C VAL A 9 -3.240 13.836 -1.019 1.00 1.05 C ATOM 122 O VAL A 9 -3.117 13.601 0.187 1.00 45.41 O ATOM 123 CB VAL A 9 -1.155 14.121 -2.377 1.00 52.22 C ATOM 124 CG1 VAL A 9 -0.330 15.076 -3.230 1.00 52.01 C ATOM 125 CG2 VAL A 9 -0.277 13.446 -1.330 1.00 62.34 C ATOM 0 H VAL A 9 -1.616 15.513 0.140 1.00 62.12 H new ATOM 0 HA VAL A 9 -2.913 15.378 -2.483 1.00 64.04 H new ATOM 0 HB VAL A 9 -1.564 13.350 -3.030 1.00 52.22 H new ATOM 0 HG11 VAL A 9 0.498 14.534 -3.686 1.00 52.01 H new ATOM 0 HG12 VAL A 9 -0.959 15.502 -4.012 1.00 52.01 H new ATOM 0 HG13 VAL A 9 0.062 15.877 -2.604 1.00 52.01 H new ATOM 0 HG21 VAL A 9 0.552 12.938 -1.823 1.00 62.34 H new ATOM 0 HG22 VAL A 9 0.115 14.197 -0.644 1.00 62.34 H new ATOM 0 HG23 VAL A 9 -0.868 12.720 -0.773 1.00 62.34 H new ATOM 135 N ARG A 10 -4.149 13.258 -1.774 1.00 33.34 N ATOM 136 CA ARG A 10 -5.012 12.214 -1.262 1.00 1.33 C ATOM 137 C ARG A 10 -4.630 10.904 -1.906 1.00 10.51 C ATOM 138 O ARG A 10 -4.770 10.744 -3.114 1.00 33.31 O ATOM 139 CB ARG A 10 -6.486 12.523 -1.542 1.00 62.54 C ATOM 140 CG ARG A 10 -7.434 11.467 -0.995 1.00 21.34 C ATOM 141 CD ARG A 10 -8.888 11.828 -1.236 1.00 32.22 C ATOM 142 NE ARG A 10 -9.790 10.883 -0.576 1.00 11.22 N ATOM 143 CZ ARG A 10 -11.113 11.030 -0.489 1.00 3.31 C ATOM 144 NH1 ARG A 10 -11.713 12.066 -1.061 1.00 51.44 N ATOM 145 NH2 ARG A 10 -11.836 10.135 0.168 1.00 43.15 N ATOM 0 H ARG A 10 -4.311 13.496 -2.753 1.00 33.34 H new ATOM 0 HA ARG A 10 -4.885 12.153 -0.181 1.00 1.33 H new ATOM 0 HB2 ARG A 10 -6.737 13.489 -1.105 1.00 62.54 H new ATOM 0 HB3 ARG A 10 -6.634 12.612 -2.618 1.00 62.54 H new ATOM 0 HG2 ARG A 10 -7.216 10.507 -1.463 1.00 21.34 H new ATOM 0 HG3 ARG A 10 -7.263 11.346 0.075 1.00 21.34 H new ATOM 0 HD2 ARG A 10 -9.080 12.835 -0.866 1.00 32.22 H new ATOM 0 HD3 ARG A 10 -9.089 11.838 -2.307 1.00 32.22 H new ATOM 0 HE ARG A 10 -9.377 10.052 -0.152 1.00 11.22 H new ATOM 0 HH11 ARG A 10 -11.162 12.756 -1.571 1.00 51.44 H new ATOM 0 HH12 ARG A 10 -12.725 12.172 -0.990 1.00 51.44 H new ATOM 0 HH21 ARG A 10 -11.381 9.334 0.607 1.00 43.15 H new ATOM 0 HH22 ARG A 10 -12.848 10.247 0.235 1.00 43.15 H new ATOM 159 N CYS A 11 -4.140 9.976 -1.121 1.00 13.43 N ATOM 160 CA CYS A 11 -3.701 8.710 -1.658 1.00 10.12 C ATOM 161 C CYS A 11 -4.312 7.539 -0.906 1.00 34.11 C ATOM 162 O CYS A 11 -4.667 7.649 0.270 1.00 72.30 O ATOM 163 CB CYS A 11 -2.171 8.618 -1.622 1.00 64.32 C ATOM 164 SG CYS A 11 -1.325 9.951 -2.504 1.00 2.41 S ATOM 0 H CYS A 11 -4.035 10.072 -0.111 1.00 13.43 H new ATOM 0 HA CYS A 11 -4.040 8.656 -2.693 1.00 10.12 H new ATOM 0 HB2 CYS A 11 -1.843 8.620 -0.583 1.00 64.32 H new ATOM 0 HB3 CYS A 11 -1.866 7.663 -2.051 1.00 64.32 H new ATOM 0 HG CYS A 11 -0.739 10.735 -1.648 1.00 2.41 H new ATOM 170 N SER A 12 -4.447 6.438 -1.605 1.00 62.42 N ATOM 171 CA SER A 12 -4.936 5.212 -1.038 1.00 22.35 C ATOM 172 C SER A 12 -3.750 4.267 -0.846 1.00 64.41 C ATOM 173 O SER A 12 -2.776 4.338 -1.598 1.00 75.33 O ATOM 174 CB SER A 12 -5.974 4.595 -1.974 1.00 34.34 C ATOM 175 OG SER A 12 -6.958 5.555 -2.336 1.00 14.23 O ATOM 0 H SER A 12 -4.216 6.371 -2.596 1.00 62.42 H new ATOM 0 HA SER A 12 -5.413 5.396 -0.075 1.00 22.35 H new ATOM 0 HB2 SER A 12 -5.483 4.215 -2.870 1.00 34.34 H new ATOM 0 HB3 SER A 12 -6.451 3.745 -1.487 1.00 34.34 H new ATOM 0 HG SER A 12 -6.566 6.209 -2.951 1.00 14.23 H new ATOM 181 N HIS A 13 -3.811 3.400 0.148 1.00 42.02 N ATOM 182 CA HIS A 13 -2.683 2.522 0.422 1.00 1.31 C ATOM 183 C HIS A 13 -3.113 1.111 0.786 1.00 24.50 C ATOM 184 O HIS A 13 -4.181 0.898 1.361 1.00 23.11 O ATOM 185 CB HIS A 13 -1.796 3.107 1.542 1.00 41.14 C ATOM 186 CG HIS A 13 -2.407 3.064 2.924 1.00 40.12 C ATOM 187 ND1 HIS A 13 -1.689 2.733 4.052 1.00 35.05 N ATOM 188 CD2 HIS A 13 -3.664 3.323 3.353 1.00 3.14 C ATOM 189 CE1 HIS A 13 -2.476 2.789 5.107 1.00 22.32 C ATOM 190 NE2 HIS A 13 -3.677 3.144 4.711 1.00 71.13 N ATOM 0 H HIS A 13 -4.612 3.284 0.769 1.00 42.02 H new ATOM 0 HA HIS A 13 -2.108 2.458 -0.502 1.00 1.31 H new ATOM 0 HB2 HIS A 13 -0.852 2.562 1.560 1.00 41.14 H new ATOM 0 HB3 HIS A 13 -1.561 4.143 1.296 1.00 41.14 H new ATOM 0 HD1 HIS A 13 -0.700 2.483 4.068 1.00 35.05 H new ATOM 0 HD2 HIS A 13 -4.502 3.617 2.738 1.00 3.14 H new ATOM 0 HE1 HIS A 13 -2.183 2.579 6.125 1.00 22.32 H new ATOM 199 N LEU A 14 -2.271 0.161 0.440 1.00 72.32 N ATOM 200 CA LEU A 14 -2.474 -1.227 0.785 1.00 53.14 C ATOM 201 C LEU A 14 -1.314 -1.678 1.659 1.00 45.21 C ATOM 202 O LEU A 14 -0.150 -1.421 1.336 1.00 51.10 O ATOM 203 CB LEU A 14 -2.576 -2.090 -0.495 1.00 11.21 C ATOM 204 CG LEU A 14 -2.998 -3.565 -0.308 1.00 73.15 C ATOM 205 CD1 LEU A 14 -3.571 -4.113 -1.602 1.00 3.32 C ATOM 206 CD2 LEU A 14 -1.816 -4.425 0.131 1.00 13.32 C ATOM 0 H LEU A 14 -1.419 0.333 -0.094 1.00 72.32 H new ATOM 0 HA LEU A 14 -3.408 -1.346 1.333 1.00 53.14 H new ATOM 0 HB2 LEU A 14 -3.289 -1.615 -1.169 1.00 11.21 H new ATOM 0 HB3 LEU A 14 -1.607 -2.074 -0.994 1.00 11.21 H new ATOM 0 HG LEU A 14 -3.759 -3.599 0.471 1.00 73.15 H new ATOM 0 HD11 LEU A 14 -3.865 -5.153 -1.458 1.00 3.32 H new ATOM 0 HD12 LEU A 14 -4.443 -3.526 -1.891 1.00 3.32 H new ATOM 0 HD13 LEU A 14 -2.817 -4.054 -2.387 1.00 3.32 H new ATOM 0 HD21 LEU A 14 -2.143 -5.457 0.255 1.00 13.32 H new ATOM 0 HD22 LEU A 14 -1.033 -4.381 -0.626 1.00 13.32 H new ATOM 0 HD23 LEU A 14 -1.427 -4.052 1.078 1.00 13.32 H new ATOM 218 N LEU A 15 -1.625 -2.320 2.765 1.00 21.12 N ATOM 219 CA LEU A 15 -0.604 -2.781 3.692 1.00 13.32 C ATOM 220 C LEU A 15 -0.728 -4.276 3.920 1.00 53.34 C ATOM 221 O LEU A 15 -1.700 -4.746 4.513 1.00 52.33 O ATOM 222 CB LEU A 15 -0.704 -1.997 5.030 1.00 71.22 C ATOM 223 CG LEU A 15 0.315 -2.352 6.149 1.00 43.02 C ATOM 224 CD1 LEU A 15 -0.148 -3.546 6.971 1.00 11.10 C ATOM 225 CD2 LEU A 15 1.697 -2.614 5.568 1.00 14.13 C ATOM 0 H LEU A 15 -2.581 -2.537 3.048 1.00 21.12 H new ATOM 0 HA LEU A 15 0.378 -2.591 3.259 1.00 13.32 H new ATOM 0 HB2 LEU A 15 -0.601 -0.935 4.806 1.00 71.22 H new ATOM 0 HB3 LEU A 15 -1.707 -2.142 5.431 1.00 71.22 H new ATOM 0 HG LEU A 15 0.376 -1.490 6.813 1.00 43.02 H new ATOM 0 HD11 LEU A 15 0.590 -3.764 7.743 1.00 11.10 H new ATOM 0 HD12 LEU A 15 -1.106 -3.317 7.439 1.00 11.10 H new ATOM 0 HD13 LEU A 15 -0.260 -4.414 6.321 1.00 11.10 H new ATOM 0 HD21 LEU A 15 2.389 -2.860 6.373 1.00 14.13 H new ATOM 0 HD22 LEU A 15 1.645 -3.447 4.867 1.00 14.13 H new ATOM 0 HD23 LEU A 15 2.048 -1.723 5.047 1.00 14.13 H new ATOM 237 N VAL A 16 0.252 -5.016 3.445 1.00 54.31 N ATOM 238 CA VAL A 16 0.269 -6.447 3.632 1.00 2.22 C ATOM 239 C VAL A 16 1.378 -6.850 4.610 1.00 70.55 C ATOM 240 O VAL A 16 2.560 -6.526 4.417 1.00 12.11 O ATOM 241 CB VAL A 16 0.422 -7.212 2.282 1.00 4.24 C ATOM 242 CG1 VAL A 16 1.720 -6.847 1.579 1.00 33.12 C ATOM 243 CG2 VAL A 16 0.327 -8.717 2.498 1.00 62.41 C ATOM 0 H VAL A 16 1.048 -4.646 2.925 1.00 54.31 H new ATOM 0 HA VAL A 16 -0.694 -6.730 4.057 1.00 2.22 H new ATOM 0 HB VAL A 16 -0.400 -6.907 1.635 1.00 4.24 H new ATOM 0 HG11 VAL A 16 1.794 -7.399 0.642 1.00 33.12 H new ATOM 0 HG12 VAL A 16 1.733 -5.777 1.372 1.00 33.12 H new ATOM 0 HG13 VAL A 16 2.565 -7.104 2.218 1.00 33.12 H new ATOM 0 HG21 VAL A 16 0.437 -9.229 1.542 1.00 62.41 H new ATOM 0 HG22 VAL A 16 1.119 -9.038 3.175 1.00 62.41 H new ATOM 0 HG23 VAL A 16 -0.643 -8.962 2.932 1.00 62.41 H new ATOM 253 N LYS A 17 0.983 -7.515 5.675 1.00 2.14 N ATOM 254 CA LYS A 17 1.919 -7.990 6.671 1.00 74.42 C ATOM 255 C LYS A 17 2.502 -9.341 6.270 1.00 4.30 C ATOM 256 O LYS A 17 2.135 -9.909 5.243 1.00 35.12 O ATOM 257 CB LYS A 17 1.249 -8.074 8.044 1.00 75.23 C ATOM 258 CG LYS A 17 1.071 -6.721 8.714 1.00 63.13 C ATOM 259 CD LYS A 17 0.237 -6.826 9.979 1.00 0.24 C ATOM 260 CE LYS A 17 0.320 -5.548 10.799 1.00 35.40 C ATOM 261 NZ LYS A 17 -0.635 -5.550 11.935 1.00 63.40 N ATOM 0 H LYS A 17 0.008 -7.741 5.874 1.00 2.14 H new ATOM 0 HA LYS A 17 2.739 -7.275 6.734 1.00 74.42 H new ATOM 0 HB2 LYS A 17 0.274 -8.548 7.935 1.00 75.23 H new ATOM 0 HB3 LYS A 17 1.845 -8.716 8.692 1.00 75.23 H new ATOM 0 HG2 LYS A 17 2.048 -6.303 8.956 1.00 63.13 H new ATOM 0 HG3 LYS A 17 0.593 -6.031 8.019 1.00 63.13 H new ATOM 0 HD2 LYS A 17 -0.802 -7.027 9.717 1.00 0.24 H new ATOM 0 HD3 LYS A 17 0.583 -7.669 10.577 1.00 0.24 H new ATOM 0 HE2 LYS A 17 1.334 -5.427 11.179 1.00 35.40 H new ATOM 0 HE3 LYS A 17 0.116 -4.692 10.156 1.00 35.40 H new ATOM 0 HZ1 LYS A 17 -0.131 -5.310 12.813 1.00 63.40 H new ATOM 0 HZ2 LYS A 17 -1.382 -4.848 11.762 1.00 63.40 H new ATOM 0 HZ3 LYS A 17 -1.062 -6.494 12.028 1.00 63.40 H new ATOM 275 N HIS A 18 3.409 -9.844 7.084 1.00 71.45 N ATOM 276 CA HIS A 18 4.075 -11.107 6.812 1.00 42.43 C ATOM 277 C HIS A 18 4.527 -11.758 8.111 1.00 21.10 C ATOM 278 O HIS A 18 4.400 -11.161 9.178 1.00 11.24 O ATOM 279 CB HIS A 18 5.262 -10.917 5.831 1.00 54.44 C ATOM 280 CG HIS A 18 6.231 -9.818 6.196 1.00 24.11 C ATOM 281 ND1 HIS A 18 7.537 -10.049 6.555 1.00 13.34 N ATOM 282 CD2 HIS A 18 6.077 -8.472 6.214 1.00 2.12 C ATOM 283 CE1 HIS A 18 8.142 -8.903 6.780 1.00 53.13 C ATOM 284 NE2 HIS A 18 7.281 -7.928 6.581 1.00 63.24 N ATOM 0 H HIS A 18 3.706 -9.393 7.949 1.00 71.45 H new ATOM 0 HA HIS A 18 3.361 -11.774 6.329 1.00 42.43 H new ATOM 0 HB2 HIS A 18 5.811 -11.856 5.765 1.00 54.44 H new ATOM 0 HB3 HIS A 18 4.862 -10.711 4.838 1.00 54.44 H new ATOM 0 HD1 HIS A 18 7.971 -10.969 6.635 1.00 13.34 H new ATOM 0 HD2 HIS A 18 5.173 -7.928 5.982 1.00 2.12 H new ATOM 0 HE1 HIS A 18 9.173 -8.782 7.078 1.00 53.13 H new ATOM 293 N SER A 19 5.037 -12.975 8.018 1.00 35.44 N ATOM 294 CA SER A 19 5.472 -13.732 9.193 1.00 64.12 C ATOM 295 C SER A 19 6.524 -12.973 10.018 1.00 74.50 C ATOM 296 O SER A 19 6.354 -12.765 11.221 1.00 13.32 O ATOM 297 CB SER A 19 6.007 -15.094 8.756 1.00 10.32 C ATOM 298 OG SER A 19 6.938 -14.959 7.687 1.00 72.34 O ATOM 0 H SER A 19 5.163 -13.469 7.134 1.00 35.44 H new ATOM 0 HA SER A 19 4.607 -13.872 9.841 1.00 64.12 H new ATOM 0 HB2 SER A 19 6.487 -15.588 9.601 1.00 10.32 H new ATOM 0 HB3 SER A 19 5.179 -15.730 8.443 1.00 10.32 H new ATOM 0 HG SER A 19 7.267 -15.844 7.426 1.00 72.34 H new ATOM 304 N GLN A 20 7.591 -12.549 9.365 1.00 32.12 N ATOM 305 CA GLN A 20 8.669 -11.821 10.030 1.00 13.25 C ATOM 306 C GLN A 20 8.404 -10.320 10.000 1.00 64.44 C ATOM 307 O GLN A 20 9.283 -9.525 9.665 1.00 73.50 O ATOM 308 CB GLN A 20 10.013 -12.126 9.361 1.00 54.42 C ATOM 309 CG GLN A 20 10.375 -13.601 9.339 1.00 15.15 C ATOM 310 CD GLN A 20 10.386 -14.228 10.720 1.00 62.52 C ATOM 311 OE1 GLN A 20 10.654 -13.564 11.721 1.00 23.15 O ATOM 312 NE2 GLN A 20 10.097 -15.511 10.780 1.00 11.23 N ATOM 0 H GLN A 20 7.739 -12.695 8.367 1.00 32.12 H new ATOM 0 HA GLN A 20 8.708 -12.148 11.069 1.00 13.25 H new ATOM 0 HB2 GLN A 20 9.990 -11.753 8.337 1.00 54.42 H new ATOM 0 HB3 GLN A 20 10.798 -11.578 9.882 1.00 54.42 H new ATOM 0 HG2 GLN A 20 9.664 -14.135 8.709 1.00 15.15 H new ATOM 0 HG3 GLN A 20 11.358 -13.722 8.883 1.00 15.15 H new ATOM 0 HE21 GLN A 20 9.880 -16.025 9.926 1.00 11.23 H new ATOM 0 HE22 GLN A 20 10.090 -15.991 11.680 1.00 11.23 H new ATOM 321 N SER A 21 7.196 -9.943 10.344 1.00 31.34 N ATOM 322 CA SER A 21 6.805 -8.552 10.355 1.00 10.51 C ATOM 323 C SER A 21 7.029 -7.948 11.735 1.00 12.15 C ATOM 324 O SER A 21 7.385 -8.652 12.685 1.00 42.53 O ATOM 325 CB SER A 21 5.328 -8.426 9.949 1.00 11.40 C ATOM 326 OG SER A 21 4.873 -7.082 10.004 1.00 22.30 O ATOM 0 H SER A 21 6.458 -10.589 10.624 1.00 31.34 H new ATOM 0 HA SER A 21 7.418 -8.005 9.639 1.00 10.51 H new ATOM 0 HB2 SER A 21 5.196 -8.812 8.938 1.00 11.40 H new ATOM 0 HB3 SER A 21 4.717 -9.043 10.608 1.00 11.40 H new ATOM 0 HG SER A 21 5.253 -6.577 9.255 1.00 22.30 H new ATOM 332 N ARG A 22 6.824 -6.646 11.832 1.00 34.41 N ATOM 333 CA ARG A 22 6.912 -5.927 13.087 1.00 4.43 C ATOM 334 C ARG A 22 5.743 -6.355 13.974 1.00 51.13 C ATOM 335 O ARG A 22 5.782 -6.237 15.200 1.00 70.33 O ATOM 336 CB ARG A 22 6.853 -4.428 12.802 1.00 43.44 C ATOM 337 CG ARG A 22 7.188 -3.533 13.977 1.00 13.13 C ATOM 338 CD ARG A 22 7.161 -2.081 13.548 1.00 70.12 C ATOM 339 NE ARG A 22 7.576 -1.169 14.606 1.00 0.45 N ATOM 340 CZ ARG A 22 8.154 0.012 14.383 1.00 34.10 C ATOM 341 NH1 ARG A 22 8.445 0.389 13.141 1.00 22.43 N ATOM 342 NH2 ARG A 22 8.454 0.809 15.400 1.00 41.11 N ATOM 0 H ARG A 22 6.590 -6.055 11.034 1.00 34.41 H new ATOM 0 HA ARG A 22 7.848 -6.150 13.599 1.00 4.43 H new ATOM 0 HB2 ARG A 22 7.540 -4.202 11.987 1.00 43.44 H new ATOM 0 HB3 ARG A 22 5.851 -4.180 12.452 1.00 43.44 H new ATOM 0 HG2 ARG A 22 6.473 -3.696 14.784 1.00 13.13 H new ATOM 0 HG3 ARG A 22 8.173 -3.787 14.368 1.00 13.13 H new ATOM 0 HD2 ARG A 22 7.814 -1.950 12.685 1.00 70.12 H new ATOM 0 HD3 ARG A 22 6.153 -1.821 13.226 1.00 70.12 H new ATOM 0 HE ARG A 22 7.415 -1.450 15.573 1.00 0.45 H new ATOM 0 HH11 ARG A 22 8.226 -0.226 12.357 1.00 22.43 H new ATOM 0 HH12 ARG A 22 8.887 1.293 12.973 1.00 22.43 H new ATOM 0 HH21 ARG A 22 8.243 0.519 16.355 1.00 41.11 H new ATOM 0 HH22 ARG A 22 8.896 1.712 15.227 1.00 41.11 H new ATOM 356 N ARG A 23 4.709 -6.859 13.317 1.00 13.23 N ATOM 357 CA ARG A 23 3.534 -7.387 13.968 1.00 5.44 C ATOM 358 C ARG A 23 2.935 -8.483 13.087 1.00 40.22 C ATOM 359 O ARG A 23 2.232 -8.191 12.122 1.00 23.12 O ATOM 360 CB ARG A 23 2.501 -6.274 14.210 1.00 44.31 C ATOM 361 CG ARG A 23 1.239 -6.733 14.935 1.00 12.34 C ATOM 362 CD ARG A 23 1.542 -7.213 16.345 1.00 42.51 C ATOM 363 NE ARG A 23 2.067 -6.143 17.193 1.00 71.41 N ATOM 364 CZ ARG A 23 2.706 -6.343 18.349 1.00 71.42 C ATOM 365 NH1 ARG A 23 2.912 -7.577 18.796 1.00 3.23 N ATOM 366 NH2 ARG A 23 3.139 -5.307 19.054 1.00 33.41 N ATOM 0 H ARG A 23 4.669 -6.910 12.299 1.00 13.23 H new ATOM 0 HA ARG A 23 3.812 -7.802 14.937 1.00 5.44 H new ATOM 0 HB2 ARG A 23 2.970 -5.479 14.790 1.00 44.31 H new ATOM 0 HB3 ARG A 23 2.218 -5.843 13.250 1.00 44.31 H new ATOM 0 HG2 ARG A 23 0.524 -5.911 14.976 1.00 12.34 H new ATOM 0 HG3 ARG A 23 0.768 -7.537 14.370 1.00 12.34 H new ATOM 0 HD2 ARG A 23 0.634 -7.616 16.793 1.00 42.51 H new ATOM 0 HD3 ARG A 23 2.265 -8.028 16.302 1.00 42.51 H new ATOM 0 HE ARG A 23 1.937 -5.181 16.881 1.00 71.41 H new ATOM 0 HH11 ARG A 23 2.582 -8.377 18.256 1.00 3.23 H new ATOM 0 HH12 ARG A 23 3.400 -7.725 19.679 1.00 3.23 H new ATOM 0 HH21 ARG A 23 2.984 -4.358 18.714 1.00 33.41 H new ATOM 0 HH22 ARG A 23 3.627 -5.459 19.937 1.00 33.41 H new ATOM 380 N PRO A 24 3.224 -9.761 13.393 1.00 72.02 N ATOM 381 CA PRO A 24 2.738 -10.911 12.605 1.00 73.11 C ATOM 382 C PRO A 24 1.260 -11.231 12.862 1.00 12.04 C ATOM 383 O PRO A 24 0.817 -12.363 12.677 1.00 11.00 O ATOM 384 CB PRO A 24 3.621 -12.058 13.097 1.00 44.41 C ATOM 385 CG PRO A 24 3.951 -11.693 14.503 1.00 5.13 C ATOM 386 CD PRO A 24 4.061 -10.191 14.531 1.00 32.24 C ATOM 0 HA PRO A 24 2.798 -10.723 11.533 1.00 73.11 H new ATOM 0 HB2 PRO A 24 3.097 -13.013 13.047 1.00 44.41 H new ATOM 0 HB3 PRO A 24 4.521 -12.156 12.490 1.00 44.41 H new ATOM 0 HG2 PRO A 24 3.177 -12.040 15.187 1.00 5.13 H new ATOM 0 HG3 PRO A 24 4.886 -12.158 14.817 1.00 5.13 H new ATOM 0 HD2 PRO A 24 3.699 -9.780 15.473 1.00 32.24 H new ATOM 0 HD3 PRO A 24 5.094 -9.862 14.416 1.00 32.24 H new ATOM 394 N SER A 25 0.514 -10.225 13.265 1.00 52.20 N ATOM 395 CA SER A 25 -0.894 -10.372 13.553 1.00 5.32 C ATOM 396 C SER A 25 -1.675 -9.276 12.847 1.00 24.33 C ATOM 397 O SER A 25 -1.165 -8.164 12.665 1.00 72.31 O ATOM 398 CB SER A 25 -1.124 -10.297 15.062 1.00 35.54 C ATOM 399 OG SER A 25 -0.339 -11.272 15.737 1.00 51.42 O ATOM 0 H SER A 25 0.870 -9.279 13.402 1.00 52.20 H new ATOM 0 HA SER A 25 -1.239 -11.341 13.193 1.00 5.32 H new ATOM 0 HB2 SER A 25 -0.869 -9.302 15.425 1.00 35.54 H new ATOM 0 HB3 SER A 25 -2.180 -10.456 15.283 1.00 35.54 H new ATOM 0 HG SER A 25 -0.760 -12.152 15.645 1.00 51.42 H new ATOM 405 N SER A 26 -2.887 -9.582 12.437 1.00 72.41 N ATOM 406 CA SER A 26 -3.711 -8.620 11.746 1.00 3.22 C ATOM 407 C SER A 26 -5.123 -8.629 12.313 1.00 35.11 C ATOM 408 O SER A 26 -5.421 -9.363 13.264 1.00 15.41 O ATOM 409 CB SER A 26 -3.755 -8.946 10.246 1.00 14.42 C ATOM 410 OG SER A 26 -4.415 -10.190 10.008 1.00 25.05 O ATOM 0 H SER A 26 -3.323 -10.494 12.572 1.00 72.41 H new ATOM 0 HA SER A 26 -3.279 -7.629 11.886 1.00 3.22 H new ATOM 0 HB2 SER A 26 -4.273 -8.149 9.713 1.00 14.42 H new ATOM 0 HB3 SER A 26 -2.740 -8.988 9.850 1.00 14.42 H new ATOM 0 HG SER A 26 -3.815 -10.929 10.242 1.00 25.05 H new ATOM 415 N TRP A 27 -5.988 -7.809 11.739 1.00 1.01 N ATOM 416 CA TRP A 27 -7.389 -7.795 12.122 1.00 43.20 C ATOM 417 C TRP A 27 -8.124 -8.927 11.413 1.00 31.04 C ATOM 418 O TRP A 27 -9.324 -9.121 11.600 1.00 25.11 O ATOM 419 CB TRP A 27 -8.039 -6.440 11.785 1.00 21.30 C ATOM 420 CG TRP A 27 -8.134 -6.144 10.310 1.00 45.44 C ATOM 421 CD1 TRP A 27 -7.144 -5.671 9.506 1.00 50.11 C ATOM 422 CD2 TRP A 27 -9.290 -6.295 9.472 1.00 42.31 C ATOM 423 NE1 TRP A 27 -7.607 -5.521 8.221 1.00 70.53 N ATOM 424 CE2 TRP A 27 -8.919 -5.898 8.174 1.00 4.53 C ATOM 425 CE3 TRP A 27 -10.597 -6.731 9.693 1.00 10.13 C ATOM 426 CZ2 TRP A 27 -9.809 -5.922 7.104 1.00 65.42 C ATOM 427 CZ3 TRP A 27 -11.479 -6.754 8.629 1.00 74.23 C ATOM 428 CH2 TRP A 27 -11.081 -6.353 7.350 1.00 75.32 C ATOM 0 H TRP A 27 -5.744 -7.144 11.005 1.00 1.01 H new ATOM 0 HA TRP A 27 -7.458 -7.940 13.200 1.00 43.20 H new ATOM 0 HB2 TRP A 27 -9.041 -6.415 12.213 1.00 21.30 H new ATOM 0 HB3 TRP A 27 -7.467 -5.647 12.266 1.00 21.30 H new ATOM 0 HD1 TRP A 27 -6.139 -5.446 9.831 1.00 50.11 H new ATOM 0 HE1 TRP A 27 -7.059 -5.183 7.430 1.00 70.53 H new ATOM 0 HE3 TRP A 27 -10.913 -7.045 10.677 1.00 10.13 H new ATOM 0 HZ2 TRP A 27 -9.505 -5.611 6.116 1.00 65.42 H new ATOM 0 HZ3 TRP A 27 -12.494 -7.088 8.788 1.00 74.23 H new ATOM 0 HH2 TRP A 27 -11.795 -6.385 6.540 1.00 75.32 H new ATOM 439 N ARG A 28 -7.384 -9.670 10.602 1.00 3.34 N ATOM 440 CA ARG A 28 -7.937 -10.770 9.844 1.00 21.12 C ATOM 441 C ARG A 28 -7.580 -12.096 10.502 1.00 11.23 C ATOM 442 O ARG A 28 -8.454 -12.918 10.783 1.00 73.25 O ATOM 443 CB ARG A 28 -7.405 -10.737 8.409 1.00 32.14 C ATOM 444 CG ARG A 28 -7.563 -9.386 7.726 1.00 11.22 C ATOM 445 CD ARG A 28 -6.971 -9.395 6.328 1.00 42.03 C ATOM 446 NE ARG A 28 -7.709 -10.279 5.427 1.00 32.52 N ATOM 447 CZ ARG A 28 -7.188 -10.877 4.356 1.00 40.13 C ATOM 448 NH1 ARG A 28 -5.904 -10.713 4.054 1.00 34.43 N ATOM 449 NH2 ARG A 28 -7.956 -11.641 3.587 1.00 53.40 N ATOM 0 H ARG A 28 -6.385 -9.523 10.455 1.00 3.34 H new ATOM 0 HA ARG A 28 -9.022 -10.670 9.823 1.00 21.12 H new ATOM 0 HB2 ARG A 28 -6.349 -11.009 8.416 1.00 32.14 H new ATOM 0 HB3 ARG A 28 -7.925 -11.494 7.821 1.00 32.14 H new ATOM 0 HG2 ARG A 28 -8.620 -9.126 7.673 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -7.075 -8.616 8.324 1.00 11.22 H new ATOM 0 HD2 ARG A 28 -6.975 -8.382 5.926 1.00 42.03 H new ATOM 0 HD3 ARG A 28 -5.930 -9.714 6.377 1.00 42.03 H new ATOM 0 HE ARG A 28 -8.693 -10.450 5.633 1.00 32.52 H new ATOM 0 HH11 ARG A 28 -5.312 -10.127 4.643 1.00 34.43 H new ATOM 0 HH12 ARG A 28 -5.510 -11.173 3.233 1.00 34.43 H new ATOM 0 HH21 ARG A 28 -8.942 -11.769 3.817 1.00 53.40 H new ATOM 0 HH22 ARG A 28 -7.560 -12.100 2.767 1.00 53.40 H new ATOM 463 N GLN A 29 -6.292 -12.294 10.760 1.00 41.13 N ATOM 464 CA GLN A 29 -5.817 -13.523 11.378 1.00 54.21 C ATOM 465 C GLN A 29 -4.854 -13.234 12.530 1.00 11.50 C ATOM 466 O GLN A 29 -4.356 -12.113 12.674 1.00 75.34 O ATOM 467 CB GLN A 29 -5.166 -14.439 10.335 1.00 0.12 C ATOM 468 CG GLN A 29 -4.173 -13.737 9.423 1.00 15.41 C ATOM 469 CD GLN A 29 -3.568 -14.667 8.384 1.00 34.43 C ATOM 470 OE1 GLN A 29 -3.382 -15.920 8.747 1.00 40.41 O flip ATOM 471 NE2 GLN A 29 -3.259 -14.255 7.268 1.00 42.31 N flip ATOM 0 H GLN A 29 -5.558 -11.617 10.550 1.00 41.13 H new ATOM 0 HA GLN A 29 -6.681 -14.040 11.795 1.00 54.21 H new ATOM 0 HB2 GLN A 29 -4.656 -15.253 10.850 1.00 0.12 H new ATOM 0 HB3 GLN A 29 -5.948 -14.889 9.724 1.00 0.12 H new ATOM 0 HG2 GLN A 29 -4.672 -12.911 8.917 1.00 15.41 H new ATOM 0 HG3 GLN A 29 -3.375 -13.305 10.027 1.00 15.41 H new ATOM 0 HE21 GLN A 29 -3.418 -13.278 7.023 1.00 42.31 H new ATOM 0 HE22 GLN A 29 -2.843 -14.890 6.587 1.00 42.31 H new ATOM 480 N GLU A 30 -4.603 -14.246 13.345 1.00 25.14 N ATOM 481 CA GLU A 30 -3.756 -14.100 14.519 1.00 53.12 C ATOM 482 C GLU A 30 -2.278 -14.163 14.144 1.00 3.14 C ATOM 483 O GLU A 30 -1.457 -13.436 14.698 1.00 23.42 O ATOM 484 CB GLU A 30 -4.078 -15.196 15.537 1.00 43.42 C ATOM 485 CG GLU A 30 -3.500 -14.945 16.920 1.00 33.35 C ATOM 486 CD GLU A 30 -4.085 -13.712 17.571 1.00 41.12 C ATOM 487 OE1 GLU A 30 -5.291 -13.725 17.899 1.00 31.33 O ATOM 488 OE2 GLU A 30 -3.348 -12.726 17.766 1.00 23.02 O ATOM 0 H GLU A 30 -4.977 -15.186 13.213 1.00 25.14 H new ATOM 0 HA GLU A 30 -3.956 -13.123 14.960 1.00 53.12 H new ATOM 0 HB2 GLU A 30 -5.160 -15.294 15.619 1.00 43.42 H new ATOM 0 HB3 GLU A 30 -3.699 -16.147 15.163 1.00 43.42 H new ATOM 0 HG2 GLU A 30 -3.689 -15.812 17.553 1.00 33.35 H new ATOM 0 HG3 GLU A 30 -2.418 -14.835 16.845 1.00 33.35 H new ATOM 495 N LYS A 31 -1.946 -15.034 13.216 1.00 0.15 N ATOM 496 CA LYS A 31 -0.570 -15.187 12.786 1.00 44.44 C ATOM 497 C LYS A 31 -0.475 -15.276 11.275 1.00 44.12 C ATOM 498 O LYS A 31 -1.133 -16.104 10.648 1.00 42.11 O ATOM 499 CB LYS A 31 0.070 -16.423 13.434 1.00 54.31 C ATOM 500 CG LYS A 31 -0.769 -17.689 13.313 1.00 44.50 C ATOM 501 CD LYS A 31 0.020 -18.929 13.703 1.00 31.45 C ATOM 502 CE LYS A 31 1.093 -19.249 12.672 1.00 51.32 C ATOM 503 NZ LYS A 31 1.839 -20.482 13.012 1.00 33.41 N ATOM 0 H LYS A 31 -2.609 -15.648 12.743 1.00 0.15 H new ATOM 0 HA LYS A 31 -0.022 -14.302 13.110 1.00 44.44 H new ATOM 0 HB2 LYS A 31 1.043 -16.599 12.975 1.00 54.31 H new ATOM 0 HB3 LYS A 31 0.248 -16.217 14.489 1.00 54.31 H new ATOM 0 HG2 LYS A 31 -1.650 -17.604 13.950 1.00 44.50 H new ATOM 0 HG3 LYS A 31 -1.125 -17.792 12.288 1.00 44.50 H new ATOM 0 HD2 LYS A 31 0.483 -18.776 14.678 1.00 31.45 H new ATOM 0 HD3 LYS A 31 -0.657 -19.777 13.802 1.00 31.45 H new ATOM 0 HE2 LYS A 31 0.631 -19.364 11.691 1.00 51.32 H new ATOM 0 HE3 LYS A 31 1.788 -18.413 12.601 1.00 51.32 H new ATOM 0 HZ1 LYS A 31 2.560 -20.663 12.284 1.00 33.41 H new ATOM 0 HZ2 LYS A 31 2.302 -20.364 13.936 1.00 33.41 H new ATOM 0 HZ3 LYS A 31 1.180 -21.286 13.055 1.00 33.41 H new ATOM 517 N ILE A 32 0.336 -14.415 10.696 1.00 75.14 N ATOM 518 CA ILE A 32 0.540 -14.406 9.260 1.00 60.52 C ATOM 519 C ILE A 32 1.531 -15.505 8.870 1.00 10.44 C ATOM 520 O ILE A 32 2.662 -15.536 9.367 1.00 23.12 O ATOM 521 CB ILE A 32 1.090 -13.039 8.773 1.00 63.40 C ATOM 522 CG1 ILE A 32 0.257 -11.872 9.332 1.00 62.23 C ATOM 523 CG2 ILE A 32 1.115 -12.991 7.252 1.00 32.14 C ATOM 524 CD1 ILE A 32 -1.173 -11.836 8.837 1.00 2.05 C ATOM 0 H ILE A 32 0.869 -13.707 11.201 1.00 75.14 H new ATOM 0 HA ILE A 32 -0.426 -14.582 8.787 1.00 60.52 H new ATOM 0 HB ILE A 32 2.109 -12.934 9.146 1.00 63.40 H new ATOM 0 HG12 ILE A 32 0.251 -11.933 10.420 1.00 62.23 H new ATOM 0 HG13 ILE A 32 0.745 -10.933 9.068 1.00 62.23 H new ATOM 0 HG21 ILE A 32 1.503 -12.026 6.925 1.00 32.14 H new ATOM 0 HG22 ILE A 32 1.756 -13.787 6.873 1.00 32.14 H new ATOM 0 HG23 ILE A 32 0.104 -13.125 6.867 1.00 32.14 H new ATOM 0 HD11 ILE A 32 -1.690 -10.984 9.279 1.00 2.05 H new ATOM 0 HD12 ILE A 32 -1.180 -11.742 7.751 1.00 2.05 H new ATOM 0 HD13 ILE A 32 -1.681 -12.757 9.124 1.00 2.05 H new ATOM 536 N THR A 33 1.106 -16.409 8.005 1.00 44.40 N ATOM 537 CA THR A 33 1.966 -17.494 7.565 1.00 45.10 C ATOM 538 C THR A 33 2.819 -17.070 6.369 1.00 21.41 C ATOM 539 O THR A 33 4.003 -17.403 6.294 1.00 42.22 O ATOM 540 CB THR A 33 1.145 -18.747 7.188 1.00 4.03 C ATOM 541 OG1 THR A 33 0.384 -19.195 8.325 1.00 32.43 O ATOM 542 CG2 THR A 33 2.051 -19.874 6.708 1.00 74.54 C ATOM 0 H THR A 33 0.173 -16.414 7.594 1.00 44.40 H new ATOM 0 HA THR A 33 2.620 -17.740 8.401 1.00 45.10 H new ATOM 0 HB THR A 33 0.470 -18.476 6.376 1.00 4.03 H new ATOM 0 HG1 THR A 33 -0.136 -19.989 8.079 1.00 32.43 H new ATOM 0 HG21 THR A 33 1.445 -20.743 6.450 1.00 74.54 H new ATOM 0 HG22 THR A 33 2.607 -19.545 5.830 1.00 74.54 H new ATOM 0 HG23 THR A 33 2.750 -20.142 7.500 1.00 74.54 H new ATOM 550 N ARG A 34 2.216 -16.330 5.451 1.00 55.01 N ATOM 551 CA ARG A 34 2.906 -15.894 4.247 1.00 31.40 C ATOM 552 C ARG A 34 4.079 -14.975 4.568 1.00 70.13 C ATOM 553 O ARG A 34 3.936 -13.973 5.279 1.00 75.33 O ATOM 554 CB ARG A 34 1.936 -15.213 3.262 1.00 12.31 C ATOM 555 CG ARG A 34 1.148 -14.052 3.850 1.00 11.24 C ATOM 556 CD ARG A 34 0.283 -13.367 2.799 1.00 72.33 C ATOM 557 NE ARG A 34 -0.644 -14.298 2.140 1.00 72.15 N ATOM 558 CZ ARG A 34 -1.859 -13.962 1.682 1.00 55.02 C ATOM 559 NH1 ARG A 34 -2.313 -12.722 1.837 1.00 63.00 N ATOM 560 NH2 ARG A 34 -2.618 -14.868 1.072 1.00 73.14 N ATOM 0 H ARG A 34 1.247 -16.018 5.518 1.00 55.01 H new ATOM 0 HA ARG A 34 3.307 -16.787 3.768 1.00 31.40 H new ATOM 0 HB2 ARG A 34 2.504 -14.852 2.404 1.00 12.31 H new ATOM 0 HB3 ARG A 34 1.234 -15.959 2.889 1.00 12.31 H new ATOM 0 HG2 ARG A 34 0.516 -14.415 4.661 1.00 11.24 H new ATOM 0 HG3 ARG A 34 1.837 -13.327 4.283 1.00 11.24 H new ATOM 0 HD2 ARG A 34 -0.286 -12.564 3.268 1.00 72.33 H new ATOM 0 HD3 ARG A 34 0.925 -12.906 2.048 1.00 72.33 H new ATOM 0 HE ARG A 34 -0.343 -15.265 2.023 1.00 72.15 H new ATOM 0 HH11 ARG A 34 -1.737 -12.023 2.305 1.00 63.00 H new ATOM 0 HH12 ARG A 34 -3.237 -12.470 1.487 1.00 63.00 H new ATOM 0 HH21 ARG A 34 -2.277 -15.822 0.951 1.00 73.14 H new ATOM 0 HH22 ARG A 34 -3.542 -14.609 0.725 1.00 73.14 H new ATOM 574 N THR A 35 5.241 -15.336 4.068 1.00 24.01 N ATOM 575 CA THR A 35 6.423 -14.535 4.251 1.00 61.24 C ATOM 576 C THR A 35 6.447 -13.395 3.221 1.00 71.01 C ATOM 577 O THR A 35 5.624 -13.367 2.295 1.00 61.31 O ATOM 578 CB THR A 35 7.721 -15.400 4.147 1.00 73.32 C ATOM 579 OG1 THR A 35 8.886 -14.596 4.376 1.00 3.02 O ATOM 580 CG2 THR A 35 7.829 -16.070 2.787 1.00 73.52 C ATOM 0 H THR A 35 5.389 -16.188 3.527 1.00 24.01 H new ATOM 0 HA THR A 35 6.394 -14.108 5.254 1.00 61.24 H new ATOM 0 HB THR A 35 7.660 -16.172 4.914 1.00 73.32 H new ATOM 0 HG1 THR A 35 9.688 -15.155 4.308 1.00 3.02 H new ATOM 0 HG21 THR A 35 8.742 -16.664 2.746 1.00 73.52 H new ATOM 0 HG22 THR A 35 6.967 -16.718 2.631 1.00 73.52 H new ATOM 0 HG23 THR A 35 7.856 -15.309 2.007 1.00 73.52 H new ATOM 588 N LYS A 36 7.385 -12.469 3.382 1.00 74.33 N ATOM 589 CA LYS A 36 7.505 -11.318 2.488 1.00 23.43 C ATOM 590 C LYS A 36 7.724 -11.778 1.046 1.00 72.34 C ATOM 591 O LYS A 36 7.246 -11.150 0.104 1.00 11.15 O ATOM 592 CB LYS A 36 8.649 -10.398 2.969 1.00 21.10 C ATOM 593 CG LYS A 36 8.887 -9.145 2.119 1.00 3.25 C ATOM 594 CD LYS A 36 9.894 -9.391 0.994 1.00 1.54 C ATOM 595 CE LYS A 36 11.290 -9.680 1.538 1.00 53.21 C ATOM 596 NZ LYS A 36 12.266 -9.923 0.452 1.00 0.13 N ATOM 0 H LYS A 36 8.080 -12.492 4.129 1.00 74.33 H new ATOM 0 HA LYS A 36 6.576 -10.748 2.511 1.00 23.43 H new ATOM 0 HB2 LYS A 36 8.437 -10.087 3.992 1.00 21.10 H new ATOM 0 HB3 LYS A 36 9.571 -10.978 2.997 1.00 21.10 H new ATOM 0 HG2 LYS A 36 7.941 -8.814 1.691 1.00 3.25 H new ATOM 0 HG3 LYS A 36 9.248 -8.339 2.757 1.00 3.25 H new ATOM 0 HD2 LYS A 36 9.560 -10.231 0.384 1.00 1.54 H new ATOM 0 HD3 LYS A 36 9.931 -8.518 0.342 1.00 1.54 H new ATOM 0 HE2 LYS A 36 11.624 -8.839 2.145 1.00 53.21 H new ATOM 0 HE3 LYS A 36 11.251 -10.550 2.193 1.00 53.21 H new ATOM 0 HZ1 LYS A 36 13.171 -10.231 0.861 1.00 0.13 H new ATOM 0 HZ2 LYS A 36 11.903 -10.663 -0.182 1.00 0.13 H new ATOM 0 HZ3 LYS A 36 12.411 -9.046 -0.087 1.00 0.13 H new ATOM 610 N GLU A 37 8.423 -12.892 0.894 1.00 11.33 N ATOM 611 CA GLU A 37 8.708 -13.460 -0.418 1.00 54.12 C ATOM 612 C GLU A 37 7.417 -13.877 -1.121 1.00 53.01 C ATOM 613 O GLU A 37 7.241 -13.637 -2.315 1.00 33.11 O ATOM 614 CB GLU A 37 9.638 -14.661 -0.268 1.00 75.45 C ATOM 615 CG GLU A 37 10.933 -14.337 0.455 1.00 2.33 C ATOM 616 CD GLU A 37 11.843 -13.429 -0.346 1.00 1.43 C ATOM 617 OE1 GLU A 37 11.509 -12.241 -0.521 1.00 13.34 O ATOM 618 OE2 GLU A 37 12.907 -13.898 -0.796 1.00 50.13 O ATOM 0 H GLU A 37 8.808 -13.427 1.672 1.00 11.33 H new ATOM 0 HA GLU A 37 9.197 -12.700 -1.028 1.00 54.12 H new ATOM 0 HB2 GLU A 37 9.116 -15.449 0.274 1.00 75.45 H new ATOM 0 HB3 GLU A 37 9.872 -15.055 -1.257 1.00 75.45 H new ATOM 0 HG2 GLU A 37 10.702 -13.862 1.409 1.00 2.33 H new ATOM 0 HG3 GLU A 37 11.460 -15.264 0.680 1.00 2.33 H new ATOM 625 N GLU A 38 6.509 -14.486 -0.360 1.00 3.03 N ATOM 626 CA GLU A 38 5.228 -14.935 -0.894 1.00 63.11 C ATOM 627 C GLU A 38 4.335 -13.749 -1.196 1.00 0.04 C ATOM 628 O GLU A 38 3.626 -13.726 -2.208 1.00 20.30 O ATOM 629 CB GLU A 38 4.526 -15.858 0.101 1.00 12.55 C ATOM 630 CG GLU A 38 5.288 -17.131 0.413 1.00 13.33 C ATOM 631 CD GLU A 38 5.546 -17.973 -0.813 1.00 54.44 C ATOM 632 OE1 GLU A 38 4.592 -18.574 -1.338 1.00 64.21 O ATOM 633 OE2 GLU A 38 6.709 -18.042 -1.250 1.00 71.32 O ATOM 0 H GLU A 38 6.640 -14.680 0.633 1.00 3.03 H new ATOM 0 HA GLU A 38 5.420 -15.484 -1.816 1.00 63.11 H new ATOM 0 HB2 GLU A 38 4.358 -15.312 1.029 1.00 12.55 H new ATOM 0 HB3 GLU A 38 3.546 -16.123 -0.295 1.00 12.55 H new ATOM 0 HG2 GLU A 38 6.239 -16.875 0.879 1.00 13.33 H new ATOM 0 HG3 GLU A 38 4.725 -17.717 1.139 1.00 13.33 H new ATOM 640 N ALA A 39 4.372 -12.763 -0.312 1.00 50.45 N ATOM 641 CA ALA A 39 3.579 -11.562 -0.470 1.00 71.43 C ATOM 642 C ALA A 39 3.995 -10.800 -1.718 1.00 11.23 C ATOM 643 O ALA A 39 3.150 -10.293 -2.449 1.00 71.23 O ATOM 644 CB ALA A 39 3.703 -10.679 0.763 1.00 2.25 C ATOM 0 H ALA A 39 4.950 -12.776 0.528 1.00 50.45 H new ATOM 0 HA ALA A 39 2.535 -11.853 -0.584 1.00 71.43 H new ATOM 0 HB1 ALA A 39 3.101 -9.780 0.629 1.00 2.25 H new ATOM 0 HB2 ALA A 39 3.350 -11.225 1.638 1.00 2.25 H new ATOM 0 HB3 ALA A 39 4.747 -10.399 0.906 1.00 2.25 H new ATOM 650 N LEU A 40 5.303 -10.746 -1.964 1.00 41.23 N ATOM 651 CA LEU A 40 5.852 -10.039 -3.120 1.00 42.33 C ATOM 652 C LEU A 40 5.247 -10.545 -4.428 1.00 4.55 C ATOM 653 O LEU A 40 4.885 -9.752 -5.300 1.00 23.43 O ATOM 654 CB LEU A 40 7.376 -10.181 -3.160 1.00 51.52 C ATOM 655 CG LEU A 40 8.076 -9.495 -4.337 1.00 73.25 C ATOM 656 CD1 LEU A 40 7.820 -7.997 -4.319 1.00 34.34 C ATOM 657 CD2 LEU A 40 9.566 -9.785 -4.310 1.00 32.22 C ATOM 0 H LEU A 40 6.007 -11.187 -1.373 1.00 41.23 H new ATOM 0 HA LEU A 40 5.592 -8.986 -3.013 1.00 42.33 H new ATOM 0 HB2 LEU A 40 7.785 -9.778 -2.233 1.00 51.52 H new ATOM 0 HB3 LEU A 40 7.623 -11.242 -3.183 1.00 51.52 H new ATOM 0 HG LEU A 40 7.663 -9.897 -5.262 1.00 73.25 H new ATOM 0 HD11 LEU A 40 8.327 -7.531 -5.164 1.00 34.34 H new ATOM 0 HD12 LEU A 40 6.749 -7.810 -4.391 1.00 34.34 H new ATOM 0 HD13 LEU A 40 8.201 -7.574 -3.389 1.00 34.34 H new ATOM 0 HD21 LEU A 40 10.048 -9.290 -5.153 1.00 32.22 H new ATOM 0 HD22 LEU A 40 9.992 -9.413 -3.378 1.00 32.22 H new ATOM 0 HD23 LEU A 40 9.729 -10.861 -4.379 1.00 32.22 H new ATOM 669 N GLU A 41 5.131 -11.866 -4.550 1.00 44.22 N ATOM 670 CA GLU A 41 4.567 -12.485 -5.750 1.00 42.21 C ATOM 671 C GLU A 41 3.153 -11.981 -5.988 1.00 0.35 C ATOM 672 O GLU A 41 2.786 -11.614 -7.107 1.00 34.44 O ATOM 673 CB GLU A 41 4.538 -14.003 -5.603 1.00 62.30 C ATOM 674 CG GLU A 41 5.865 -14.619 -5.209 1.00 3.30 C ATOM 675 CD GLU A 41 5.783 -16.123 -5.094 1.00 43.32 C ATOM 676 OE1 GLU A 41 4.683 -16.646 -4.813 1.00 43.21 O ATOM 677 OE2 GLU A 41 6.816 -16.792 -5.290 1.00 40.12 O ATOM 0 H GLU A 41 5.420 -12.530 -3.832 1.00 44.22 H new ATOM 0 HA GLU A 41 5.197 -12.216 -6.598 1.00 42.21 H new ATOM 0 HB2 GLU A 41 3.791 -14.269 -4.855 1.00 62.30 H new ATOM 0 HB3 GLU A 41 4.214 -14.441 -6.547 1.00 62.30 H new ATOM 0 HG2 GLU A 41 6.621 -14.353 -5.948 1.00 3.30 H new ATOM 0 HG3 GLU A 41 6.190 -14.200 -4.256 1.00 3.30 H new ATOM 684 N LEU A 42 2.369 -11.959 -4.922 1.00 43.41 N ATOM 685 CA LEU A 42 0.989 -11.514 -4.991 1.00 63.32 C ATOM 686 C LEU A 42 0.922 -10.027 -5.311 1.00 42.21 C ATOM 687 O LEU A 42 0.157 -9.606 -6.184 1.00 34.41 O ATOM 688 CB LEU A 42 0.276 -11.797 -3.666 1.00 63.14 C ATOM 689 CG LEU A 42 0.255 -13.261 -3.218 1.00 62.20 C ATOM 690 CD1 LEU A 42 -0.408 -13.391 -1.856 1.00 64.30 C ATOM 691 CD2 LEU A 42 -0.461 -14.129 -4.244 1.00 34.34 C ATOM 0 H LEU A 42 2.670 -12.247 -3.991 1.00 43.41 H new ATOM 0 HA LEU A 42 0.489 -12.064 -5.788 1.00 63.32 H new ATOM 0 HB2 LEU A 42 0.753 -11.205 -2.885 1.00 63.14 H new ATOM 0 HB3 LEU A 42 -0.753 -11.447 -3.747 1.00 63.14 H new ATOM 0 HG LEU A 42 1.285 -13.608 -3.137 1.00 62.20 H new ATOM 0 HD11 LEU A 42 -0.414 -14.438 -1.553 1.00 64.30 H new ATOM 0 HD12 LEU A 42 0.147 -12.805 -1.124 1.00 64.30 H new ATOM 0 HD13 LEU A 42 -1.433 -13.024 -1.914 1.00 64.30 H new ATOM 0 HD21 LEU A 42 -0.464 -15.165 -3.905 1.00 34.34 H new ATOM 0 HD22 LEU A 42 -1.488 -13.782 -4.361 1.00 34.34 H new ATOM 0 HD23 LEU A 42 0.056 -14.062 -5.201 1.00 34.34 H new ATOM 703 N ILE A 43 1.735 -9.244 -4.607 1.00 61.23 N ATOM 704 CA ILE A 43 1.783 -7.795 -4.784 1.00 41.12 C ATOM 705 C ILE A 43 2.089 -7.424 -6.231 1.00 4.41 C ATOM 706 O ILE A 43 1.341 -6.664 -6.852 1.00 70.03 O ATOM 707 CB ILE A 43 2.831 -7.144 -3.841 1.00 32.34 C ATOM 708 CG1 ILE A 43 2.425 -7.332 -2.371 1.00 51.30 C ATOM 709 CG2 ILE A 43 3.022 -5.666 -4.163 1.00 65.20 C ATOM 710 CD1 ILE A 43 1.081 -6.727 -2.012 1.00 64.53 C ATOM 0 H ILE A 43 2.379 -9.596 -3.898 1.00 61.23 H new ATOM 0 HA ILE A 43 0.797 -7.409 -4.526 1.00 41.12 H new ATOM 0 HB ILE A 43 3.785 -7.646 -4.003 1.00 32.34 H new ATOM 0 HG12 ILE A 43 2.402 -8.398 -2.146 1.00 51.30 H new ATOM 0 HG13 ILE A 43 3.191 -6.889 -1.735 1.00 51.30 H new ATOM 0 HG21 ILE A 43 3.762 -5.239 -3.486 1.00 65.20 H new ATOM 0 HG22 ILE A 43 3.367 -5.559 -5.191 1.00 65.20 H new ATOM 0 HG23 ILE A 43 2.074 -5.142 -4.042 1.00 65.20 H new ATOM 0 HD11 ILE A 43 0.872 -6.905 -0.957 1.00 64.53 H new ATOM 0 HD12 ILE A 43 1.103 -5.654 -2.202 1.00 64.53 H new ATOM 0 HD13 ILE A 43 0.301 -7.187 -2.619 1.00 64.53 H new ATOM 722 N ASN A 44 3.179 -7.972 -6.767 1.00 63.53 N ATOM 723 CA ASN A 44 3.576 -7.703 -8.152 1.00 75.14 C ATOM 724 C ASN A 44 2.443 -8.019 -9.103 1.00 2.43 C ATOM 725 O ASN A 44 2.128 -7.231 -10.001 1.00 43.33 O ATOM 726 CB ASN A 44 4.809 -8.522 -8.544 1.00 32.42 C ATOM 727 CG ASN A 44 6.093 -7.984 -7.956 1.00 63.24 C ATOM 728 OD1 ASN A 44 6.225 -6.783 -7.706 1.00 73.23 O ATOM 729 ND2 ASN A 44 7.054 -8.859 -7.752 1.00 42.33 N ATOM 0 H ASN A 44 3.803 -8.604 -6.266 1.00 63.53 H new ATOM 0 HA ASN A 44 3.821 -6.643 -8.221 1.00 75.14 H new ATOM 0 HB2 ASN A 44 4.671 -9.553 -8.217 1.00 32.42 H new ATOM 0 HB3 ASN A 44 4.894 -8.541 -9.630 1.00 32.42 H new ATOM 0 HD21 ASN A 44 7.950 -8.553 -7.373 1.00 42.33 H new ATOM 0 HD22 ASN A 44 6.903 -9.843 -7.973 1.00 42.33 H new ATOM 736 N GLY A 45 1.819 -9.167 -8.884 1.00 50.54 N ATOM 737 CA GLY A 45 0.721 -9.586 -9.713 1.00 3.34 C ATOM 738 C GLY A 45 -0.427 -8.608 -9.689 1.00 33.21 C ATOM 739 O GLY A 45 -0.853 -8.130 -10.736 1.00 73.22 O ATOM 0 H GLY A 45 2.061 -9.818 -8.137 1.00 50.54 H new ATOM 0 HA2 GLY A 45 1.070 -9.707 -10.739 1.00 3.34 H new ATOM 0 HA3 GLY A 45 0.370 -10.562 -9.379 1.00 3.34 H new ATOM 743 N TYR A 46 -0.911 -8.284 -8.492 1.00 54.34 N ATOM 744 CA TYR A 46 -2.045 -7.377 -8.343 1.00 2.13 C ATOM 745 C TYR A 46 -1.776 -6.031 -8.990 1.00 2.12 C ATOM 746 O TYR A 46 -2.613 -5.522 -9.723 1.00 31.40 O ATOM 747 CB TYR A 46 -2.431 -7.195 -6.870 1.00 15.31 C ATOM 748 CG TYR A 46 -3.043 -8.431 -6.246 1.00 35.42 C ATOM 749 CD1 TYR A 46 -4.111 -9.082 -6.853 1.00 41.14 C ATOM 750 CD2 TYR A 46 -2.559 -8.945 -5.051 1.00 13.12 C ATOM 751 CE1 TYR A 46 -4.675 -10.209 -6.288 1.00 41.54 C ATOM 752 CE2 TYR A 46 -3.118 -10.071 -4.480 1.00 53.41 C ATOM 753 CZ TYR A 46 -4.175 -10.700 -5.102 1.00 55.14 C ATOM 754 OH TYR A 46 -4.733 -11.823 -4.538 1.00 62.54 O ATOM 0 H TYR A 46 -0.535 -8.636 -7.612 1.00 54.34 H new ATOM 0 HA TYR A 46 -2.887 -7.837 -8.861 1.00 2.13 H new ATOM 0 HB2 TYR A 46 -1.544 -6.913 -6.303 1.00 15.31 H new ATOM 0 HB3 TYR A 46 -3.137 -6.369 -6.788 1.00 15.31 H new ATOM 0 HD1 TYR A 46 -4.506 -8.700 -7.782 1.00 41.14 H new ATOM 0 HD2 TYR A 46 -1.731 -8.456 -4.559 1.00 13.12 H new ATOM 0 HE1 TYR A 46 -5.504 -10.703 -6.773 1.00 41.54 H new ATOM 0 HE2 TYR A 46 -2.729 -10.457 -3.550 1.00 53.41 H new ATOM 0 HH TYR A 46 -4.131 -12.177 -3.850 1.00 62.54 H new ATOM 764 N ILE A 47 -0.595 -5.473 -8.738 1.00 75.21 N ATOM 765 CA ILE A 47 -0.218 -4.179 -9.311 1.00 53.45 C ATOM 766 C ILE A 47 -0.343 -4.201 -10.840 1.00 23.34 C ATOM 767 O ILE A 47 -0.853 -3.257 -11.451 1.00 0.44 O ATOM 768 CB ILE A 47 1.232 -3.784 -8.909 1.00 20.13 C ATOM 769 CG1 ILE A 47 1.321 -3.578 -7.393 1.00 34.13 C ATOM 770 CG2 ILE A 47 1.681 -2.523 -9.645 1.00 45.43 C ATOM 771 CD1 ILE A 47 2.705 -3.212 -6.905 1.00 22.22 C ATOM 0 H ILE A 47 0.118 -5.894 -8.142 1.00 75.21 H new ATOM 0 HA ILE A 47 -0.905 -3.434 -8.909 1.00 53.45 H new ATOM 0 HB ILE A 47 1.900 -4.597 -9.196 1.00 20.13 H new ATOM 0 HG12 ILE A 47 0.624 -2.792 -7.101 1.00 34.13 H new ATOM 0 HG13 ILE A 47 1.000 -4.491 -6.892 1.00 34.13 H new ATOM 0 HG21 ILE A 47 2.698 -2.269 -9.345 1.00 45.43 H new ATOM 0 HG22 ILE A 47 1.653 -2.700 -10.720 1.00 45.43 H new ATOM 0 HG23 ILE A 47 1.013 -1.699 -9.395 1.00 45.43 H new ATOM 0 HD11 ILE A 47 2.687 -3.083 -5.823 1.00 22.22 H new ATOM 0 HD12 ILE A 47 3.404 -4.007 -7.164 1.00 22.22 H new ATOM 0 HD13 ILE A 47 3.023 -2.282 -7.376 1.00 22.22 H new ATOM 783 N GLN A 48 0.095 -5.293 -11.446 1.00 13.20 N ATOM 784 CA GLN A 48 0.032 -5.429 -12.895 1.00 45.45 C ATOM 785 C GLN A 48 -1.403 -5.692 -13.365 1.00 21.41 C ATOM 786 O GLN A 48 -1.832 -5.170 -14.393 1.00 71.13 O ATOM 787 CB GLN A 48 0.967 -6.540 -13.377 1.00 71.30 C ATOM 788 CG GLN A 48 2.434 -6.320 -13.019 1.00 2.23 C ATOM 789 CD GLN A 48 2.971 -4.986 -13.514 1.00 44.02 C ATOM 790 OE1 GLN A 48 3.450 -4.876 -14.640 1.00 42.02 O ATOM 791 NE2 GLN A 48 2.913 -3.969 -12.669 1.00 64.03 N ATOM 0 H GLN A 48 0.496 -6.095 -10.961 1.00 13.20 H new ATOM 0 HA GLN A 48 0.362 -4.487 -13.332 1.00 45.45 H new ATOM 0 HB2 GLN A 48 0.638 -7.487 -12.950 1.00 71.30 H new ATOM 0 HB3 GLN A 48 0.878 -6.631 -14.460 1.00 71.30 H new ATOM 0 HG2 GLN A 48 2.550 -6.374 -11.937 1.00 2.23 H new ATOM 0 HG3 GLN A 48 3.031 -7.127 -13.444 1.00 2.23 H new ATOM 0 HE21 GLN A 48 2.508 -4.099 -11.742 1.00 64.03 H new ATOM 0 HE22 GLN A 48 3.273 -3.056 -12.945 1.00 64.03 H new ATOM 800 N LYS A 49 -2.146 -6.481 -12.591 1.00 24.53 N ATOM 801 CA LYS A 49 -3.531 -6.812 -12.926 1.00 73.23 C ATOM 802 C LYS A 49 -4.427 -5.578 -12.845 1.00 12.14 C ATOM 803 O LYS A 49 -5.380 -5.437 -13.618 1.00 55.11 O ATOM 804 CB LYS A 49 -4.053 -7.920 -12.009 1.00 2.22 C ATOM 805 CG LYS A 49 -3.295 -9.227 -12.162 1.00 14.24 C ATOM 806 CD LYS A 49 -3.686 -10.242 -11.102 1.00 54.12 C ATOM 807 CE LYS A 49 -2.792 -11.470 -11.174 1.00 53.32 C ATOM 808 NZ LYS A 49 -3.112 -12.462 -10.120 1.00 54.10 N ATOM 0 H LYS A 49 -1.812 -6.904 -11.725 1.00 24.53 H new ATOM 0 HA LYS A 49 -3.553 -7.174 -13.954 1.00 73.23 H new ATOM 0 HB2 LYS A 49 -3.986 -7.587 -10.973 1.00 2.22 H new ATOM 0 HB3 LYS A 49 -5.108 -8.092 -12.221 1.00 2.22 H new ATOM 0 HG2 LYS A 49 -3.488 -9.644 -13.151 1.00 14.24 H new ATOM 0 HG3 LYS A 49 -2.224 -9.034 -12.101 1.00 14.24 H new ATOM 0 HD2 LYS A 49 -3.611 -9.789 -10.113 1.00 54.12 H new ATOM 0 HD3 LYS A 49 -4.727 -10.536 -11.240 1.00 54.12 H new ATOM 0 HE2 LYS A 49 -2.898 -11.937 -12.153 1.00 53.32 H new ATOM 0 HE3 LYS A 49 -1.750 -11.164 -11.078 1.00 53.32 H new ATOM 0 HZ1 LYS A 49 -2.477 -13.281 -10.210 1.00 54.10 H new ATOM 0 HZ2 LYS A 49 -2.986 -12.027 -9.184 1.00 54.10 H new ATOM 0 HZ3 LYS A 49 -4.098 -12.775 -10.226 1.00 54.10 H new ATOM 822 N ILE A 50 -4.115 -4.684 -11.913 1.00 2.12 N ATOM 823 CA ILE A 50 -4.861 -3.438 -11.769 1.00 71.53 C ATOM 824 C ILE A 50 -4.704 -2.583 -13.025 1.00 41.41 C ATOM 825 O ILE A 50 -5.677 -2.031 -13.542 1.00 65.53 O ATOM 826 CB ILE A 50 -4.400 -2.634 -10.522 1.00 70.42 C ATOM 827 CG1 ILE A 50 -4.707 -3.418 -9.239 1.00 73.01 C ATOM 828 CG2 ILE A 50 -5.073 -1.264 -10.482 1.00 1.02 C ATOM 829 CD1 ILE A 50 -4.172 -2.770 -7.979 1.00 61.13 C ATOM 0 H ILE A 50 -3.352 -4.798 -11.246 1.00 2.12 H new ATOM 0 HA ILE A 50 -5.911 -3.696 -11.633 1.00 71.53 H new ATOM 0 HB ILE A 50 -3.323 -2.483 -10.591 1.00 70.42 H new ATOM 0 HG12 ILE A 50 -5.787 -3.534 -9.146 1.00 73.01 H new ATOM 0 HG13 ILE A 50 -4.286 -4.419 -9.328 1.00 73.01 H new ATOM 0 HG21 ILE A 50 -4.736 -0.718 -9.601 1.00 1.02 H new ATOM 0 HG22 ILE A 50 -4.810 -0.703 -11.379 1.00 1.02 H new ATOM 0 HG23 ILE A 50 -6.155 -1.391 -10.438 1.00 1.02 H new ATOM 0 HD11 ILE A 50 -4.430 -3.384 -7.116 1.00 61.13 H new ATOM 0 HD12 ILE A 50 -3.088 -2.679 -8.049 1.00 61.13 H new ATOM 0 HD13 ILE A 50 -4.613 -1.780 -7.864 1.00 61.13 H new ATOM 841 N LYS A 51 -3.479 -2.514 -13.535 1.00 4.40 N ATOM 842 CA LYS A 51 -3.194 -1.755 -14.751 1.00 75.11 C ATOM 843 C LYS A 51 -3.672 -2.507 -15.996 1.00 23.54 C ATOM 844 O LYS A 51 -3.537 -2.024 -17.119 1.00 45.13 O ATOM 845 CB LYS A 51 -1.700 -1.433 -14.858 1.00 21.11 C ATOM 846 CG LYS A 51 -1.223 -0.391 -13.857 1.00 64.03 C ATOM 847 CD LYS A 51 0.261 -0.094 -14.023 1.00 64.33 C ATOM 848 CE LYS A 51 0.712 1.047 -13.116 1.00 43.23 C ATOM 849 NZ LYS A 51 0.061 2.335 -13.474 1.00 14.31 N ATOM 0 H LYS A 51 -2.666 -2.974 -13.126 1.00 4.40 H new ATOM 0 HA LYS A 51 -3.743 -0.815 -14.691 1.00 75.11 H new ATOM 0 HB2 LYS A 51 -1.129 -2.350 -14.714 1.00 21.11 H new ATOM 0 HB3 LYS A 51 -1.485 -1.079 -15.866 1.00 21.11 H new ATOM 0 HG2 LYS A 51 -1.795 0.528 -13.986 1.00 64.03 H new ATOM 0 HG3 LYS A 51 -1.413 -0.745 -12.844 1.00 64.03 H new ATOM 0 HD2 LYS A 51 0.839 -0.990 -13.796 1.00 64.33 H new ATOM 0 HD3 LYS A 51 0.467 0.164 -15.062 1.00 64.33 H new ATOM 0 HE2 LYS A 51 0.480 0.800 -12.080 1.00 43.23 H new ATOM 0 HE3 LYS A 51 1.794 1.157 -13.183 1.00 43.23 H new ATOM 0 HZ1 LYS A 51 0.559 3.118 -13.004 1.00 14.31 H new ATOM 0 HZ2 LYS A 51 0.100 2.469 -14.505 1.00 14.31 H new ATOM 0 HZ3 LYS A 51 -0.932 2.320 -13.164 1.00 14.31 H new ATOM 863 N SER A 52 -4.214 -3.694 -15.786 1.00 2.35 N ATOM 864 CA SER A 52 -4.739 -4.493 -16.873 1.00 74.31 C ATOM 865 C SER A 52 -6.265 -4.418 -16.891 1.00 31.54 C ATOM 866 O SER A 52 -6.918 -5.007 -17.753 1.00 24.02 O ATOM 867 CB SER A 52 -4.275 -5.947 -16.735 1.00 63.13 C ATOM 868 OG SER A 52 -4.604 -6.710 -17.888 1.00 63.13 O ATOM 0 H SER A 52 -4.301 -4.125 -14.866 1.00 2.35 H new ATOM 0 HA SER A 52 -4.360 -4.098 -17.816 1.00 74.31 H new ATOM 0 HB2 SER A 52 -3.197 -5.973 -16.576 1.00 63.13 H new ATOM 0 HB3 SER A 52 -4.738 -6.396 -15.856 1.00 63.13 H new ATOM 0 HG SER A 52 -5.493 -6.450 -18.210 1.00 63.13 H new ATOM 874 N GLY A 53 -6.828 -3.698 -15.923 1.00 63.34 N ATOM 875 CA GLY A 53 -8.267 -3.534 -15.855 1.00 13.22 C ATOM 876 C GLY A 53 -8.970 -4.714 -15.209 1.00 35.33 C ATOM 877 O GLY A 53 -10.200 -4.731 -15.110 1.00 74.14 O ATOM 0 H GLY A 53 -6.309 -3.225 -15.183 1.00 63.34 H new ATOM 0 HA2 GLY A 53 -8.498 -2.629 -15.293 1.00 13.22 H new ATOM 0 HA3 GLY A 53 -8.659 -3.392 -16.862 1.00 13.22 H new ATOM 881 N GLU A 54 -8.195 -5.694 -14.757 1.00 50.33 N ATOM 882 CA GLU A 54 -8.755 -6.884 -14.130 1.00 33.32 C ATOM 883 C GLU A 54 -9.378 -6.537 -12.788 1.00 52.34 C ATOM 884 O GLU A 54 -10.592 -6.630 -12.610 1.00 20.21 O ATOM 885 CB GLU A 54 -7.678 -7.954 -13.947 1.00 52.11 C ATOM 886 CG GLU A 54 -7.079 -8.459 -15.247 1.00 2.22 C ATOM 887 CD GLU A 54 -6.072 -9.563 -15.027 1.00 32.40 C ATOM 888 OE1 GLU A 54 -6.442 -10.598 -14.429 1.00 25.23 O ATOM 889 OE2 GLU A 54 -4.908 -9.413 -15.464 1.00 40.51 O ATOM 0 H GLU A 54 -7.177 -5.687 -14.814 1.00 50.33 H new ATOM 0 HA GLU A 54 -9.532 -7.279 -14.785 1.00 33.32 H new ATOM 0 HB2 GLU A 54 -6.880 -7.548 -13.325 1.00 52.11 H new ATOM 0 HB3 GLU A 54 -8.107 -8.797 -13.405 1.00 52.11 H new ATOM 0 HG2 GLU A 54 -7.877 -8.823 -15.894 1.00 2.22 H new ATOM 0 HG3 GLU A 54 -6.598 -7.631 -15.768 1.00 2.22 H new ATOM 896 N GLU A 55 -8.545 -6.123 -11.858 1.00 72.20 N ATOM 897 CA GLU A 55 -8.998 -5.751 -10.534 1.00 32.22 C ATOM 898 C GLU A 55 -8.654 -4.305 -10.253 1.00 44.45 C ATOM 899 O GLU A 55 -7.692 -3.771 -10.801 1.00 11.14 O ATOM 900 CB GLU A 55 -8.355 -6.646 -9.471 1.00 20.01 C ATOM 901 CG GLU A 55 -8.869 -8.076 -9.455 1.00 31.13 C ATOM 902 CD GLU A 55 -10.331 -8.160 -9.073 1.00 74.35 C ATOM 903 OE1 GLU A 55 -10.677 -7.789 -7.927 1.00 71.55 O ATOM 904 OE2 GLU A 55 -11.143 -8.604 -9.908 1.00 63.33 O ATOM 0 H GLU A 55 -7.538 -6.035 -11.997 1.00 72.20 H new ATOM 0 HA GLU A 55 -10.080 -5.880 -10.495 1.00 32.22 H new ATOM 0 HB2 GLU A 55 -7.277 -6.663 -9.632 1.00 20.01 H new ATOM 0 HB3 GLU A 55 -8.524 -6.202 -8.490 1.00 20.01 H new ATOM 0 HG2 GLU A 55 -8.728 -8.521 -10.440 1.00 31.13 H new ATOM 0 HG3 GLU A 55 -8.278 -8.664 -8.752 1.00 31.13 H new ATOM 911 N ASP A 56 -9.446 -3.670 -9.422 1.00 23.12 N ATOM 912 CA ASP A 56 -9.182 -2.306 -9.018 1.00 32.43 C ATOM 913 C ASP A 56 -8.477 -2.307 -7.676 1.00 30.04 C ATOM 914 O ASP A 56 -8.643 -3.237 -6.887 1.00 54.54 O ATOM 915 CB ASP A 56 -10.482 -1.501 -8.930 1.00 52.43 C ATOM 916 CG ASP A 56 -10.244 -0.070 -8.493 1.00 53.31 C ATOM 917 OD1 ASP A 56 -9.796 0.744 -9.324 1.00 54.12 O ATOM 918 OD2 ASP A 56 -10.483 0.243 -7.319 1.00 11.35 O ATOM 0 H ASP A 56 -10.285 -4.078 -9.009 1.00 23.12 H new ATOM 0 HA ASP A 56 -8.544 -1.835 -9.766 1.00 32.43 H new ATOM 0 HB2 ASP A 56 -10.975 -1.504 -9.902 1.00 52.43 H new ATOM 0 HB3 ASP A 56 -11.160 -1.985 -8.227 1.00 52.43 H new ATOM 923 N PHE A 57 -7.694 -1.274 -7.420 1.00 44.03 N ATOM 924 CA PHE A 57 -6.937 -1.157 -6.180 1.00 30.41 C ATOM 925 C PHE A 57 -7.839 -1.298 -4.950 1.00 14.40 C ATOM 926 O PHE A 57 -7.468 -1.959 -3.973 1.00 45.13 O ATOM 927 CB PHE A 57 -6.203 0.182 -6.141 1.00 20.33 C ATOM 928 CG PHE A 57 -5.349 0.374 -4.921 1.00 33.14 C ATOM 929 CD1 PHE A 57 -4.091 -0.197 -4.849 1.00 75.43 C ATOM 930 CD2 PHE A 57 -5.802 1.123 -3.847 1.00 5.23 C ATOM 931 CE1 PHE A 57 -3.303 -0.024 -3.732 1.00 71.43 C ATOM 932 CE2 PHE A 57 -5.017 1.298 -2.728 1.00 12.12 C ATOM 933 CZ PHE A 57 -3.765 0.723 -2.672 1.00 65.31 C ATOM 0 H PHE A 57 -7.563 -0.493 -8.062 1.00 44.03 H new ATOM 0 HA PHE A 57 -6.212 -1.970 -6.154 1.00 30.41 H new ATOM 0 HB2 PHE A 57 -5.576 0.267 -7.028 1.00 20.33 H new ATOM 0 HB3 PHE A 57 -6.935 0.988 -6.190 1.00 20.33 H new ATOM 0 HD1 PHE A 57 -3.723 -0.785 -5.677 1.00 75.43 H new ATOM 0 HD2 PHE A 57 -6.782 1.575 -3.887 1.00 5.23 H new ATOM 0 HE1 PHE A 57 -2.322 -0.475 -3.688 1.00 71.43 H new ATOM 0 HE2 PHE A 57 -5.381 1.884 -1.897 1.00 12.12 H new ATOM 0 HZ PHE A 57 -3.147 0.859 -1.797 1.00 65.31 H new ATOM 943 N GLU A 58 -9.031 -0.708 -5.012 1.00 73.03 N ATOM 944 CA GLU A 58 -9.958 -0.735 -3.884 1.00 55.35 C ATOM 945 C GLU A 58 -10.452 -2.154 -3.594 1.00 51.44 C ATOM 946 O GLU A 58 -10.928 -2.437 -2.494 1.00 0.03 O ATOM 947 CB GLU A 58 -11.151 0.191 -4.132 1.00 33.30 C ATOM 948 CG GLU A 58 -10.771 1.647 -4.347 1.00 5.33 C ATOM 949 CD GLU A 58 -11.980 2.554 -4.442 1.00 15.20 C ATOM 950 OE1 GLU A 58 -12.852 2.308 -5.306 1.00 42.13 O ATOM 951 OE2 GLU A 58 -12.072 3.510 -3.652 1.00 14.53 O ATOM 0 H GLU A 58 -9.377 -0.206 -5.830 1.00 73.03 H new ATOM 0 HA GLU A 58 -9.410 -0.379 -3.011 1.00 55.35 H new ATOM 0 HB2 GLU A 58 -11.697 -0.164 -5.006 1.00 33.30 H new ATOM 0 HB3 GLU A 58 -11.831 0.126 -3.283 1.00 33.30 H new ATOM 0 HG2 GLU A 58 -10.136 1.978 -3.526 1.00 5.33 H new ATOM 0 HG3 GLU A 58 -10.183 1.735 -5.260 1.00 5.33 H new ATOM 958 N SER A 59 -10.325 -3.041 -4.572 1.00 32.25 N ATOM 959 CA SER A 59 -10.763 -4.417 -4.415 1.00 31.41 C ATOM 960 C SER A 59 -9.778 -5.194 -3.547 1.00 2.53 C ATOM 961 O SER A 59 -10.171 -6.015 -2.718 1.00 44.15 O ATOM 962 CB SER A 59 -10.913 -5.089 -5.790 1.00 22.24 C ATOM 963 OG SER A 59 -11.331 -6.442 -5.675 1.00 54.54 O ATOM 0 H SER A 59 -9.921 -2.829 -5.484 1.00 32.25 H new ATOM 0 HA SER A 59 -11.734 -4.418 -3.920 1.00 31.41 H new ATOM 0 HB2 SER A 59 -11.637 -4.535 -6.388 1.00 22.24 H new ATOM 0 HB3 SER A 59 -9.962 -5.047 -6.321 1.00 22.24 H new ATOM 0 HG SER A 59 -11.123 -6.920 -6.505 1.00 54.54 H new ATOM 969 N LEU A 60 -8.500 -4.911 -3.722 1.00 62.23 N ATOM 970 CA LEU A 60 -7.468 -5.602 -2.974 1.00 0.54 C ATOM 971 C LEU A 60 -7.189 -4.904 -1.653 1.00 5.31 C ATOM 972 O LEU A 60 -7.021 -5.550 -0.627 1.00 21.10 O ATOM 973 CB LEU A 60 -6.167 -5.726 -3.790 1.00 30.15 C ATOM 974 CG LEU A 60 -6.239 -6.553 -5.086 1.00 63.45 C ATOM 975 CD1 LEU A 60 -7.004 -7.851 -4.872 1.00 24.14 C ATOM 976 CD2 LEU A 60 -6.840 -5.746 -6.227 1.00 31.43 C ATOM 0 H LEU A 60 -8.153 -4.208 -4.375 1.00 62.23 H new ATOM 0 HA LEU A 60 -7.839 -6.606 -2.767 1.00 0.54 H new ATOM 0 HB2 LEU A 60 -5.829 -4.722 -4.046 1.00 30.15 H new ATOM 0 HB3 LEU A 60 -5.404 -6.166 -3.148 1.00 30.15 H new ATOM 0 HG LEU A 60 -5.217 -6.811 -5.365 1.00 63.45 H new ATOM 0 HD11 LEU A 60 -7.037 -8.412 -5.806 1.00 24.14 H new ATOM 0 HD12 LEU A 60 -6.504 -8.447 -4.108 1.00 24.14 H new ATOM 0 HD13 LEU A 60 -8.020 -7.625 -4.548 1.00 24.14 H new ATOM 0 HD21 LEU A 60 -6.876 -6.360 -7.127 1.00 31.43 H new ATOM 0 HD22 LEU A 60 -7.850 -5.434 -5.960 1.00 31.43 H new ATOM 0 HD23 LEU A 60 -6.225 -4.865 -6.413 1.00 31.43 H new ATOM 988 N ALA A 61 -7.165 -3.579 -1.682 1.00 11.35 N ATOM 989 CA ALA A 61 -6.861 -2.784 -0.492 1.00 40.43 C ATOM 990 C ALA A 61 -7.836 -3.061 0.649 1.00 32.33 C ATOM 991 O ALA A 61 -7.460 -3.015 1.818 1.00 51.13 O ATOM 992 CB ALA A 61 -6.856 -1.303 -0.831 1.00 62.21 C ATOM 0 H ALA A 61 -7.353 -3.026 -2.519 1.00 11.35 H new ATOM 0 HA ALA A 61 -5.868 -3.078 -0.152 1.00 40.43 H new ATOM 0 HB1 ALA A 61 -6.628 -0.725 0.065 1.00 62.21 H new ATOM 0 HB2 ALA A 61 -6.100 -1.106 -1.591 1.00 62.21 H new ATOM 0 HB3 ALA A 61 -7.836 -1.013 -1.210 1.00 62.21 H new ATOM 998 N SER A 62 -9.072 -3.371 0.307 1.00 3.31 N ATOM 999 CA SER A 62 -10.100 -3.616 1.302 1.00 13.31 C ATOM 1000 C SER A 62 -10.052 -5.047 1.845 1.00 54.34 C ATOM 1001 O SER A 62 -10.652 -5.347 2.876 1.00 54.13 O ATOM 1002 CB SER A 62 -11.475 -3.330 0.702 1.00 53.50 C ATOM 1003 OG SER A 62 -11.648 -4.027 -0.524 1.00 50.15 O ATOM 0 H SER A 62 -9.390 -3.460 -0.658 1.00 3.31 H new ATOM 0 HA SER A 62 -9.914 -2.946 2.141 1.00 13.31 H new ATOM 0 HB2 SER A 62 -12.252 -3.626 1.406 1.00 53.50 H new ATOM 0 HB3 SER A 62 -11.588 -2.259 0.535 1.00 53.50 H new ATOM 0 HG SER A 62 -11.619 -3.391 -1.269 1.00 50.15 H new ATOM 1009 N GLN A 63 -9.326 -5.921 1.162 1.00 40.40 N ATOM 1010 CA GLN A 63 -9.278 -7.325 1.548 1.00 43.35 C ATOM 1011 C GLN A 63 -7.853 -7.811 1.789 1.00 52.42 C ATOM 1012 O GLN A 63 -7.596 -9.009 1.798 1.00 42.03 O ATOM 1013 CB GLN A 63 -9.954 -8.184 0.478 1.00 5.14 C ATOM 1014 CG GLN A 63 -11.453 -7.953 0.369 1.00 74.53 C ATOM 1015 CD GLN A 63 -12.101 -8.760 -0.741 1.00 45.20 C ATOM 1016 OE1 GLN A 63 -11.379 -8.969 -1.827 1.00 2.51 O flip ATOM 1017 NE2 GLN A 63 -13.257 -9.173 -0.628 1.00 31.22 N flip ATOM 0 H GLN A 63 -8.765 -5.685 0.343 1.00 40.40 H new ATOM 0 HA GLN A 63 -9.816 -7.423 2.491 1.00 43.35 H new ATOM 0 HB2 GLN A 63 -9.492 -7.977 -0.487 1.00 5.14 H new ATOM 0 HB3 GLN A 63 -9.772 -9.236 0.700 1.00 5.14 H new ATOM 0 HG2 GLN A 63 -11.924 -8.209 1.318 1.00 74.53 H new ATOM 0 HG3 GLN A 63 -11.640 -6.893 0.196 1.00 74.53 H new ATOM 0 HE21 GLN A 63 -13.782 -8.991 0.227 1.00 31.22 H new ATOM 0 HE22 GLN A 63 -13.688 -9.697 -1.390 1.00 31.22 H new ATOM 1026 N PHE A 64 -6.933 -6.885 1.990 1.00 64.51 N ATOM 1027 CA PHE A 64 -5.537 -7.245 2.237 1.00 21.22 C ATOM 1028 C PHE A 64 -4.915 -6.380 3.314 1.00 35.00 C ATOM 1029 O PHE A 64 -4.189 -6.877 4.174 1.00 62.54 O ATOM 1030 CB PHE A 64 -4.701 -7.146 0.955 1.00 1.41 C ATOM 1031 CG PHE A 64 -4.749 -8.377 0.096 1.00 4.13 C ATOM 1032 CD1 PHE A 64 -3.847 -9.408 0.301 1.00 53.50 C ATOM 1033 CD2 PHE A 64 -5.689 -8.504 -0.911 1.00 53.32 C ATOM 1034 CE1 PHE A 64 -3.880 -10.541 -0.481 1.00 25.51 C ATOM 1035 CE2 PHE A 64 -5.726 -9.637 -1.698 1.00 44.13 C ATOM 1036 CZ PHE A 64 -4.821 -10.656 -1.481 1.00 61.41 C ATOM 0 H PHE A 64 -7.119 -5.882 1.988 1.00 64.51 H new ATOM 0 HA PHE A 64 -5.538 -8.279 2.582 1.00 21.22 H new ATOM 0 HB2 PHE A 64 -5.050 -6.294 0.371 1.00 1.41 H new ATOM 0 HB3 PHE A 64 -3.664 -6.944 1.225 1.00 1.41 H new ATOM 0 HD1 PHE A 64 -3.108 -9.322 1.084 1.00 53.50 H new ATOM 0 HD2 PHE A 64 -6.400 -7.710 -1.083 1.00 53.32 H new ATOM 0 HE1 PHE A 64 -3.170 -11.337 -0.311 1.00 25.51 H new ATOM 0 HE2 PHE A 64 -6.462 -9.726 -2.483 1.00 44.13 H new ATOM 0 HZ PHE A 64 -4.850 -11.544 -2.095 1.00 61.41 H new ATOM 1046 N SER A 65 -5.204 -5.094 3.265 1.00 61.54 N ATOM 1047 CA SER A 65 -4.628 -4.143 4.196 1.00 43.20 C ATOM 1048 C SER A 65 -5.066 -4.399 5.630 1.00 1.33 C ATOM 1049 O SER A 65 -6.247 -4.598 5.909 1.00 74.34 O ATOM 1050 CB SER A 65 -5.008 -2.727 3.793 1.00 2.40 C ATOM 1051 OG SER A 65 -4.669 -2.484 2.444 1.00 21.13 O ATOM 0 H SER A 65 -5.840 -4.681 2.583 1.00 61.54 H new ATOM 0 HA SER A 65 -3.546 -4.267 4.155 1.00 43.20 H new ATOM 0 HB2 SER A 65 -6.078 -2.577 3.937 1.00 2.40 H new ATOM 0 HB3 SER A 65 -4.497 -2.011 4.436 1.00 2.40 H new ATOM 0 HG SER A 65 -5.472 -2.558 1.887 1.00 21.13 H new ATOM 1057 N ASP A 66 -4.103 -4.409 6.531 1.00 31.30 N ATOM 1058 CA ASP A 66 -4.394 -4.531 7.951 1.00 32.42 C ATOM 1059 C ASP A 66 -4.711 -3.157 8.523 1.00 13.35 C ATOM 1060 O ASP A 66 -5.383 -3.029 9.545 1.00 3.23 O ATOM 1061 CB ASP A 66 -3.218 -5.160 8.699 1.00 74.25 C ATOM 1062 CG ASP A 66 -3.403 -5.126 10.206 1.00 74.43 C ATOM 1063 OD1 ASP A 66 -4.244 -5.876 10.723 1.00 4.40 O ATOM 1064 OD2 ASP A 66 -2.702 -4.345 10.875 1.00 54.35 O ATOM 0 H ASP A 66 -3.111 -4.334 6.307 1.00 31.30 H new ATOM 0 HA ASP A 66 -5.257 -5.184 8.077 1.00 32.42 H new ATOM 0 HB2 ASP A 66 -3.096 -6.193 8.374 1.00 74.25 H new ATOM 0 HB3 ASP A 66 -2.301 -4.633 8.437 1.00 74.25 H new ATOM 1069 N SER A 67 -4.232 -2.134 7.832 1.00 63.23 N ATOM 1070 CA SER A 67 -4.447 -0.753 8.222 1.00 44.01 C ATOM 1071 C SER A 67 -5.942 -0.425 8.277 1.00 62.44 C ATOM 1072 O SER A 67 -6.736 -1.004 7.536 1.00 42.22 O ATOM 1073 CB SER A 67 -3.740 0.161 7.224 1.00 52.03 C ATOM 1074 OG SER A 67 -4.089 -0.189 5.891 1.00 73.34 O ATOM 0 H SER A 67 -3.681 -2.241 6.981 1.00 63.23 H new ATOM 0 HA SER A 67 -4.036 -0.597 9.220 1.00 44.01 H new ATOM 0 HB2 SER A 67 -4.013 1.199 7.417 1.00 52.03 H new ATOM 0 HB3 SER A 67 -2.661 0.085 7.355 1.00 52.03 H new ATOM 0 HG SER A 67 -3.513 0.296 5.264 1.00 73.34 H new ATOM 1080 N SER A 68 -6.308 0.525 9.132 1.00 10.23 N ATOM 1081 CA SER A 68 -7.706 0.919 9.324 1.00 11.02 C ATOM 1082 C SER A 68 -8.342 1.471 8.029 1.00 51.41 C ATOM 1083 O SER A 68 -9.563 1.629 7.936 1.00 42.42 O ATOM 1084 CB SER A 68 -7.798 1.952 10.448 1.00 35.12 C ATOM 1085 OG SER A 68 -7.139 1.479 11.621 1.00 14.31 O ATOM 0 H SER A 68 -5.648 1.044 9.711 1.00 10.23 H new ATOM 0 HA SER A 68 -8.269 0.027 9.598 1.00 11.02 H new ATOM 0 HB2 SER A 68 -7.347 2.890 10.125 1.00 35.12 H new ATOM 0 HB3 SER A 68 -8.844 2.162 10.672 1.00 35.12 H new ATOM 0 HG SER A 68 -7.207 2.154 12.329 1.00 14.31 H new ATOM 1091 N SER A 69 -7.511 1.765 7.038 1.00 70.35 N ATOM 1092 CA SER A 69 -7.996 2.246 5.760 1.00 41.31 C ATOM 1093 C SER A 69 -8.573 1.100 4.919 1.00 40.35 C ATOM 1094 O SER A 69 -9.134 1.336 3.859 1.00 44.31 O ATOM 1095 CB SER A 69 -6.867 2.914 4.987 1.00 12.13 C ATOM 1096 OG SER A 69 -6.116 3.775 5.820 1.00 0.00 O ATOM 0 H SER A 69 -6.497 1.677 7.099 1.00 70.35 H new ATOM 0 HA SER A 69 -8.787 2.970 5.957 1.00 41.31 H new ATOM 0 HB2 SER A 69 -6.213 2.152 4.563 1.00 12.13 H new ATOM 0 HB3 SER A 69 -7.280 3.480 4.152 1.00 12.13 H new ATOM 0 HG SER A 69 -5.163 3.561 5.738 1.00 0.00 H new ATOM 1102 N ALA A 70 -8.433 -0.137 5.403 1.00 62.32 N ATOM 1103 CA ALA A 70 -8.911 -1.317 4.673 1.00 71.51 C ATOM 1104 C ALA A 70 -10.391 -1.203 4.346 1.00 53.14 C ATOM 1105 O ALA A 70 -10.790 -1.288 3.186 1.00 4.33 O ATOM 1106 CB ALA A 70 -8.648 -2.579 5.474 1.00 72.01 C ATOM 0 H ALA A 70 -7.992 -0.349 6.298 1.00 62.32 H new ATOM 0 HA ALA A 70 -8.361 -1.372 3.734 1.00 71.51 H new ATOM 0 HB1 ALA A 70 -9.009 -3.445 4.918 1.00 72.01 H new ATOM 0 HB2 ALA A 70 -7.577 -2.681 5.650 1.00 72.01 H new ATOM 0 HB3 ALA A 70 -9.169 -2.519 6.430 1.00 72.01 H new ATOM 1112 N LYS A 71 -11.197 -0.980 5.367 1.00 74.11 N ATOM 1113 CA LYS A 71 -12.641 -0.858 5.197 1.00 43.11 C ATOM 1114 C LYS A 71 -13.001 0.459 4.506 1.00 22.12 C ATOM 1115 O LYS A 71 -14.148 0.676 4.114 1.00 64.52 O ATOM 1116 CB LYS A 71 -13.335 -0.973 6.551 1.00 50.41 C ATOM 1117 CG LYS A 71 -13.033 -2.281 7.265 1.00 3.22 C ATOM 1118 CD LYS A 71 -13.543 -2.272 8.691 1.00 15.33 C ATOM 1119 CE LYS A 71 -13.071 -3.503 9.449 1.00 51.11 C ATOM 1120 NZ LYS A 71 -13.421 -3.436 10.890 1.00 50.51 N ATOM 0 H LYS A 71 -10.878 -0.878 6.330 1.00 74.11 H new ATOM 0 HA LYS A 71 -12.988 -1.670 4.558 1.00 43.11 H new ATOM 0 HB2 LYS A 71 -13.026 -0.141 7.183 1.00 50.41 H new ATOM 0 HB3 LYS A 71 -14.412 -0.883 6.410 1.00 50.41 H new ATOM 0 HG2 LYS A 71 -13.490 -3.107 6.720 1.00 3.22 H new ATOM 0 HG3 LYS A 71 -11.957 -2.456 7.264 1.00 3.22 H new ATOM 0 HD2 LYS A 71 -13.195 -1.373 9.199 1.00 15.33 H new ATOM 0 HD3 LYS A 71 -14.632 -2.237 8.691 1.00 15.33 H new ATOM 0 HE2 LYS A 71 -13.518 -4.394 9.008 1.00 51.11 H new ATOM 0 HE3 LYS A 71 -11.991 -3.603 9.342 1.00 51.11 H new ATOM 0 HZ1 LYS A 71 -13.081 -4.294 11.370 1.00 50.51 H new ATOM 0 HZ2 LYS A 71 -12.974 -2.600 11.317 1.00 50.51 H new ATOM 0 HZ3 LYS A 71 -14.454 -3.367 10.994 1.00 50.51 H new ATOM 1134 N ALA A 72 -12.005 1.319 4.343 1.00 42.04 N ATOM 1135 CA ALA A 72 -12.176 2.601 3.680 1.00 34.32 C ATOM 1136 C ALA A 72 -11.687 2.516 2.233 1.00 35.41 C ATOM 1137 O ALA A 72 -11.483 3.540 1.568 1.00 24.25 O ATOM 1138 CB ALA A 72 -11.418 3.682 4.432 1.00 4.24 C ATOM 0 H ALA A 72 -11.054 1.145 4.668 1.00 42.04 H new ATOM 0 HA ALA A 72 -13.236 2.857 3.674 1.00 34.32 H new ATOM 0 HB1 ALA A 72 -11.552 4.639 3.927 1.00 4.24 H new ATOM 0 HB2 ALA A 72 -11.800 3.752 5.451 1.00 4.24 H new ATOM 0 HB3 ALA A 72 -10.357 3.432 4.458 1.00 4.24 H new ATOM 1144 N ARG A 73 -11.482 1.274 1.770 1.00 71.12 N ATOM 1145 CA ARG A 73 -11.044 0.980 0.396 1.00 23.23 C ATOM 1146 C ARG A 73 -9.593 1.402 0.138 1.00 64.44 C ATOM 1147 O ARG A 73 -9.155 1.476 -1.005 1.00 10.20 O ATOM 1148 CB ARG A 73 -11.999 1.598 -0.634 1.00 61.53 C ATOM 1149 CG ARG A 73 -13.383 0.967 -0.625 1.00 4.13 C ATOM 1150 CD ARG A 73 -14.286 1.565 -1.691 1.00 31.25 C ATOM 1151 NE ARG A 73 -14.610 2.970 -1.431 1.00 21.54 N ATOM 1152 CZ ARG A 73 -15.072 3.813 -2.360 1.00 40.41 C ATOM 1153 NH1 ARG A 73 -15.235 3.399 -3.610 1.00 40.24 N ATOM 1154 NH2 ARG A 73 -15.360 5.068 -2.040 1.00 53.25 N ATOM 0 H ARG A 73 -11.616 0.440 2.341 1.00 71.12 H new ATOM 0 HA ARG A 73 -11.077 -0.103 0.280 1.00 23.23 H new ATOM 0 HB2 ARG A 73 -12.093 2.666 -0.437 1.00 61.53 H new ATOM 0 HB3 ARG A 73 -11.566 1.494 -1.629 1.00 61.53 H new ATOM 0 HG2 ARG A 73 -13.293 -0.107 -0.786 1.00 4.13 H new ATOM 0 HG3 ARG A 73 -13.838 1.105 0.356 1.00 4.13 H new ATOM 0 HD2 ARG A 73 -13.799 1.482 -2.663 1.00 31.25 H new ATOM 0 HD3 ARG A 73 -15.209 0.987 -1.746 1.00 31.25 H new ATOM 0 HE ARG A 73 -14.475 3.326 -0.485 1.00 21.54 H new ATOM 0 HH11 ARG A 73 -15.008 2.437 -3.862 1.00 40.24 H new ATOM 0 HH12 ARG A 73 -15.588 4.043 -4.319 1.00 40.24 H new ATOM 0 HH21 ARG A 73 -15.229 5.393 -1.082 1.00 53.25 H new ATOM 0 HH22 ARG A 73 -15.712 5.708 -2.752 1.00 53.25 H new ATOM 1168 N GLY A 74 -8.853 1.652 1.209 1.00 30.35 N ATOM 1169 CA GLY A 74 -7.454 2.010 1.086 1.00 4.33 C ATOM 1170 C GLY A 74 -7.212 3.498 1.200 1.00 22.11 C ATOM 1171 O GLY A 74 -6.106 3.927 1.530 1.00 72.41 O ATOM 0 H GLY A 74 -9.200 1.613 2.168 1.00 30.35 H new ATOM 0 HA2 GLY A 74 -6.884 1.495 1.859 1.00 4.33 H new ATOM 0 HA3 GLY A 74 -7.078 1.659 0.125 1.00 4.33 H new ATOM 1175 N ASP A 75 -8.241 4.278 0.939 1.00 33.05 N ATOM 1176 CA ASP A 75 -8.146 5.741 0.959 1.00 1.13 C ATOM 1177 C ASP A 75 -7.776 6.291 2.340 1.00 31.11 C ATOM 1178 O ASP A 75 -8.361 5.906 3.353 1.00 35.40 O ATOM 1179 CB ASP A 75 -9.459 6.353 0.471 1.00 74.53 C ATOM 1180 CG ASP A 75 -9.599 7.820 0.817 1.00 23.12 C ATOM 1181 OD1 ASP A 75 -8.733 8.624 0.412 1.00 70.45 O ATOM 1182 OD2 ASP A 75 -10.593 8.179 1.485 1.00 30.51 O ATOM 0 H ASP A 75 -9.170 3.926 0.706 1.00 33.05 H new ATOM 0 HA ASP A 75 -7.337 6.024 0.285 1.00 1.13 H new ATOM 0 HB2 ASP A 75 -9.528 6.233 -0.610 1.00 74.53 H new ATOM 0 HB3 ASP A 75 -10.293 5.803 0.907 1.00 74.53 H new ATOM 1187 N LEU A 76 -6.788 7.183 2.360 1.00 32.33 N ATOM 1188 CA LEU A 76 -6.334 7.828 3.590 1.00 43.25 C ATOM 1189 C LEU A 76 -6.913 9.228 3.718 1.00 42.00 C ATOM 1190 O LEU A 76 -6.946 9.800 4.813 1.00 61.01 O ATOM 1191 CB LEU A 76 -4.806 7.928 3.611 1.00 1.44 C ATOM 1192 CG LEU A 76 -4.048 6.673 4.022 1.00 33.12 C ATOM 1193 CD1 LEU A 76 -2.558 6.851 3.768 1.00 63.54 C ATOM 1194 CD2 LEU A 76 -4.296 6.366 5.491 1.00 72.42 C ATOM 0 H LEU A 76 -6.281 7.479 1.526 1.00 32.33 H new ATOM 0 HA LEU A 76 -6.678 7.217 4.425 1.00 43.25 H new ATOM 0 HB2 LEU A 76 -4.470 8.219 2.616 1.00 1.44 H new ATOM 0 HB3 LEU A 76 -4.526 8.733 4.290 1.00 1.44 H new ATOM 0 HG LEU A 76 -4.408 5.836 3.423 1.00 33.12 H new ATOM 0 HD11 LEU A 76 -2.028 5.947 4.066 1.00 63.54 H new ATOM 0 HD12 LEU A 76 -2.389 7.038 2.707 1.00 63.54 H new ATOM 0 HD13 LEU A 76 -2.188 7.696 4.348 1.00 63.54 H new ATOM 0 HD21 LEU A 76 -3.748 5.466 5.772 1.00 72.42 H new ATOM 0 HD22 LEU A 76 -3.956 7.203 6.100 1.00 72.42 H new ATOM 0 HD23 LEU A 76 -5.362 6.208 5.655 1.00 72.42 H new ATOM 1206 N GLY A 77 -7.378 9.771 2.611 1.00 12.33 N ATOM 1207 CA GLY A 77 -7.859 11.129 2.608 1.00 4.33 C ATOM 1208 C GLY A 77 -6.744 12.096 2.272 1.00 51.54 C ATOM 1209 O GLY A 77 -5.629 11.674 1.961 1.00 40.30 O ATOM 0 H GLY A 77 -7.431 9.294 1.711 1.00 12.33 H new ATOM 0 HA2 GLY A 77 -8.666 11.232 1.882 1.00 4.33 H new ATOM 0 HA3 GLY A 77 -8.276 11.374 3.585 1.00 4.33 H new ATOM 1213 N ALA A 78 -7.031 13.376 2.327 1.00 62.34 N ATOM 1214 CA ALA A 78 -6.037 14.390 2.022 1.00 22.30 C ATOM 1215 C ALA A 78 -5.054 14.544 3.173 1.00 11.12 C ATOM 1216 O ALA A 78 -5.452 14.809 4.311 1.00 54.23 O ATOM 1217 CB ALA A 78 -6.709 15.719 1.713 1.00 63.33 C ATOM 0 H ALA A 78 -7.947 13.745 2.581 1.00 62.34 H new ATOM 0 HA ALA A 78 -5.482 14.070 1.140 1.00 22.30 H new ATOM 0 HB1 ALA A 78 -5.949 16.467 1.487 1.00 63.33 H new ATOM 0 HB2 ALA A 78 -7.370 15.602 0.854 1.00 63.33 H new ATOM 0 HB3 ALA A 78 -7.290 16.042 2.576 1.00 63.33 H new ATOM 1223 N PHE A 79 -3.780 14.357 2.884 1.00 32.41 N ATOM 1224 CA PHE A 79 -2.740 14.497 3.887 1.00 64.22 C ATOM 1225 C PHE A 79 -1.583 15.320 3.340 1.00 40.11 C ATOM 1226 O PHE A 79 -1.609 15.749 2.180 1.00 50.41 O ATOM 1227 CB PHE A 79 -2.248 13.118 4.376 1.00 2.23 C ATOM 1228 CG PHE A 79 -1.686 12.227 3.293 1.00 44.02 C ATOM 1229 CD1 PHE A 79 -0.342 12.287 2.948 1.00 64.42 C ATOM 1230 CD2 PHE A 79 -2.500 11.323 2.631 1.00 22.15 C ATOM 1231 CE1 PHE A 79 0.173 11.467 1.965 1.00 22.20 C ATOM 1232 CE2 PHE A 79 -1.991 10.500 1.647 1.00 42.52 C ATOM 1233 CZ PHE A 79 -0.651 10.572 1.314 1.00 11.33 C ATOM 0 H PHE A 79 -3.438 14.106 1.956 1.00 32.41 H new ATOM 0 HA PHE A 79 -3.164 15.021 4.744 1.00 64.22 H new ATOM 0 HB2 PHE A 79 -1.482 13.270 5.137 1.00 2.23 H new ATOM 0 HB3 PHE A 79 -3.078 12.601 4.858 1.00 2.23 H new ATOM 0 HD1 PHE A 79 0.308 12.984 3.455 1.00 64.42 H new ATOM 0 HD2 PHE A 79 -3.547 11.261 2.888 1.00 22.15 H new ATOM 0 HE1 PHE A 79 1.220 11.526 1.705 1.00 22.20 H new ATOM 0 HE2 PHE A 79 -2.638 9.801 1.138 1.00 42.52 H new ATOM 0 HZ PHE A 79 -0.250 9.928 0.545 1.00 11.33 H new ATOM 1243 N SER A 80 -0.574 15.537 4.160 1.00 11.23 N ATOM 1244 CA SER A 80 0.566 16.320 3.755 1.00 53.20 C ATOM 1245 C SER A 80 1.862 15.608 4.139 1.00 61.04 C ATOM 1246 O SER A 80 1.837 14.561 4.784 1.00 24.12 O ATOM 1247 CB SER A 80 0.503 17.717 4.390 1.00 21.23 C ATOM 1248 OG SER A 80 1.413 18.614 3.761 1.00 5.31 O ATOM 0 H SER A 80 -0.525 15.179 5.114 1.00 11.23 H new ATOM 0 HA SER A 80 0.547 16.434 2.671 1.00 53.20 H new ATOM 0 HB2 SER A 80 -0.511 18.109 4.310 1.00 21.23 H new ATOM 0 HB3 SER A 80 0.735 17.646 5.453 1.00 21.23 H new ATOM 0 HG SER A 80 1.254 18.617 2.794 1.00 5.31 H new ATOM 1254 N ARG A 81 2.982 16.188 3.743 1.00 43.43 N ATOM 1255 CA ARG A 81 4.293 15.612 4.002 1.00 20.10 C ATOM 1256 C ARG A 81 4.742 15.873 5.437 1.00 22.32 C ATOM 1257 O ARG A 81 4.285 16.820 6.077 1.00 72.13 O ATOM 1258 CB ARG A 81 5.324 16.159 2.988 1.00 21.41 C ATOM 1259 CG ARG A 81 5.411 17.690 2.929 1.00 14.44 C ATOM 1260 CD ARG A 81 6.302 18.254 4.028 1.00 22.05 C ATOM 1261 NE ARG A 81 6.225 19.712 4.105 1.00 61.43 N ATOM 1262 CZ ARG A 81 7.041 20.471 4.837 1.00 74.14 C ATOM 1263 NH1 ARG A 81 8.033 19.919 5.524 1.00 71.32 N ATOM 1264 NH2 ARG A 81 6.866 21.784 4.873 1.00 20.41 N ATOM 0 H ARG A 81 3.010 17.071 3.233 1.00 43.43 H new ATOM 0 HA ARG A 81 4.222 14.531 3.877 1.00 20.10 H new ATOM 0 HB2 ARG A 81 6.307 15.762 3.239 1.00 21.41 H new ATOM 0 HB3 ARG A 81 5.073 15.784 1.996 1.00 21.41 H new ATOM 0 HG2 ARG A 81 5.799 17.994 1.957 1.00 14.44 H new ATOM 0 HG3 ARG A 81 4.411 18.114 3.020 1.00 14.44 H new ATOM 0 HD2 ARG A 81 6.010 17.825 4.987 1.00 22.05 H new ATOM 0 HD3 ARG A 81 7.334 17.955 3.846 1.00 22.05 H new ATOM 0 HE ARG A 81 5.499 20.180 3.563 1.00 61.43 H new ATOM 0 HH11 ARG A 81 8.174 18.909 5.494 1.00 71.32 H new ATOM 0 HH12 ARG A 81 8.654 20.504 6.082 1.00 71.32 H new ATOM 0 HH21 ARG A 81 6.108 22.212 4.341 1.00 20.41 H new ATOM 0 HH22 ARG A 81 7.489 22.366 5.432 1.00 20.41 H new ATOM 1278 N GLY A 82 5.632 15.033 5.927 1.00 74.54 N ATOM 1279 CA GLY A 82 6.142 15.182 7.269 1.00 54.53 C ATOM 1280 C GLY A 82 5.256 14.509 8.287 1.00 22.32 C ATOM 1281 O GLY A 82 5.201 14.924 9.444 1.00 74.24 O ATOM 0 H GLY A 82 6.015 14.240 5.412 1.00 74.54 H new ATOM 0 HA2 GLY A 82 7.145 14.759 7.325 1.00 54.53 H new ATOM 0 HA3 GLY A 82 6.229 16.242 7.508 1.00 54.53 H new ATOM 1285 N GLN A 83 4.560 13.466 7.865 1.00 64.34 N ATOM 1286 CA GLN A 83 3.642 12.766 8.744 1.00 75.11 C ATOM 1287 C GLN A 83 3.910 11.264 8.761 1.00 12.13 C ATOM 1288 O GLN A 83 4.069 10.666 9.828 1.00 21.31 O ATOM 1289 CB GLN A 83 2.197 13.033 8.329 1.00 42.25 C ATOM 1290 CG GLN A 83 1.791 14.495 8.412 1.00 64.35 C ATOM 1291 CD GLN A 83 0.358 14.726 7.988 1.00 74.42 C ATOM 1292 OE1 GLN A 83 -0.496 13.854 8.137 1.00 71.42 O ATOM 1293 NE2 GLN A 83 0.081 15.903 7.470 1.00 53.41 N ATOM 0 H GLN A 83 4.614 13.087 6.920 1.00 64.34 H new ATOM 0 HA GLN A 83 3.803 13.147 9.753 1.00 75.11 H new ATOM 0 HB2 GLN A 83 2.053 12.684 7.307 1.00 42.25 H new ATOM 0 HB3 GLN A 83 1.533 12.445 8.963 1.00 42.25 H new ATOM 0 HG2 GLN A 83 1.925 14.848 9.435 1.00 64.35 H new ATOM 0 HG3 GLN A 83 2.453 15.088 7.781 1.00 64.35 H new ATOM 0 HE21 GLN A 83 0.818 16.600 7.363 1.00 53.41 H new ATOM 0 HE22 GLN A 83 -0.871 16.119 7.175 1.00 53.41 H new ATOM 1302 N MET A 84 3.972 10.662 7.589 1.00 0.00 N ATOM 1303 CA MET A 84 4.172 9.221 7.483 1.00 45.32 C ATOM 1304 C MET A 84 5.648 8.889 7.370 1.00 14.44 C ATOM 1305 O MET A 84 6.496 9.788 7.313 1.00 41.43 O ATOM 1306 CB MET A 84 3.415 8.643 6.272 1.00 43.14 C ATOM 1307 CG MET A 84 1.895 8.760 6.350 1.00 32.35 C ATOM 1308 SD MET A 84 1.300 10.452 6.138 1.00 23.20 S ATOM 1309 CE MET A 84 -0.468 10.207 6.275 1.00 21.32 C ATOM 0 H MET A 84 3.887 11.144 6.694 1.00 0.00 H new ATOM 0 HA MET A 84 3.775 8.767 8.391 1.00 45.32 H new ATOM 0 HB2 MET A 84 3.758 9.151 5.371 1.00 43.14 H new ATOM 0 HB3 MET A 84 3.679 7.591 6.165 1.00 43.14 H new ATOM 0 HG2 MET A 84 1.448 8.126 5.584 1.00 32.35 H new ATOM 0 HG3 MET A 84 1.557 8.381 7.314 1.00 32.35 H new ATOM 0 HE1 MET A 84 -0.978 11.164 6.165 1.00 21.32 H new ATOM 0 HE2 MET A 84 -0.803 9.526 5.493 1.00 21.32 H new ATOM 0 HE3 MET A 84 -0.702 9.782 7.251 1.00 21.32 H new ATOM 1319 N GLN A 85 5.965 7.601 7.358 1.00 32.14 N ATOM 1320 CA GLN A 85 7.341 7.168 7.205 1.00 54.44 C ATOM 1321 C GLN A 85 7.853 7.560 5.829 1.00 63.54 C ATOM 1322 O GLN A 85 7.130 7.447 4.836 1.00 45.25 O ATOM 1323 CB GLN A 85 7.475 5.655 7.433 1.00 72.42 C ATOM 1324 CG GLN A 85 6.638 4.799 6.499 1.00 73.31 C ATOM 1325 CD GLN A 85 6.692 3.324 6.853 1.00 42.35 C ATOM 1326 OE1 GLN A 85 7.805 2.886 7.418 1.00 12.35 O flip ATOM 1327 NE2 GLN A 85 5.733 2.585 6.620 1.00 0.15 N flip ATOM 0 H GLN A 85 5.289 6.843 7.452 1.00 32.14 H new ATOM 0 HA GLN A 85 7.949 7.665 7.961 1.00 54.44 H new ATOM 0 HB2 GLN A 85 8.522 5.375 7.320 1.00 72.42 H new ATOM 0 HB3 GLN A 85 7.194 5.429 8.462 1.00 72.42 H new ATOM 0 HG2 GLN A 85 5.603 5.139 6.531 1.00 73.31 H new ATOM 0 HG3 GLN A 85 6.987 4.936 5.476 1.00 73.31 H new ATOM 0 HE21 GLN A 85 4.892 2.963 6.183 1.00 0.15 H new ATOM 0 HE22 GLN A 85 5.780 1.596 6.865 1.00 0.15 H new ATOM 1336 N LYS A 86 9.092 8.018 5.777 1.00 20.20 N ATOM 1337 CA LYS A 86 9.690 8.524 4.543 1.00 14.03 C ATOM 1338 C LYS A 86 9.555 7.551 3.350 1.00 60.11 C ATOM 1339 O LYS A 86 9.076 7.957 2.305 1.00 15.14 O ATOM 1340 CB LYS A 86 11.155 8.915 4.761 1.00 14.22 C ATOM 1341 CG LYS A 86 11.749 9.736 3.625 1.00 35.41 C ATOM 1342 CD LYS A 86 10.996 11.049 3.440 1.00 30.12 C ATOM 1343 CE LYS A 86 11.663 11.942 2.407 1.00 62.34 C ATOM 1344 NZ LYS A 86 13.016 12.373 2.839 1.00 22.11 N ATOM 0 H LYS A 86 9.715 8.052 6.584 1.00 20.20 H new ATOM 0 HA LYS A 86 9.121 9.415 4.278 1.00 14.03 H new ATOM 0 HB2 LYS A 86 11.235 9.483 5.688 1.00 14.22 H new ATOM 0 HB3 LYS A 86 11.747 8.009 4.890 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.799 9.942 3.833 1.00 35.41 H new ATOM 0 HG3 LYS A 86 11.714 9.160 2.700 1.00 35.41 H new ATOM 0 HD2 LYS A 86 9.971 10.840 3.132 1.00 30.12 H new ATOM 0 HD3 LYS A 86 10.942 11.574 4.394 1.00 30.12 H new ATOM 0 HE2 LYS A 86 11.737 11.408 1.460 1.00 62.34 H new ATOM 0 HE3 LYS A 86 11.041 12.820 2.230 1.00 62.34 H new ATOM 0 HZ1 LYS A 86 13.326 13.178 2.258 1.00 22.11 H new ATOM 0 HZ2 LYS A 86 12.987 12.658 3.839 1.00 22.11 H new ATOM 0 HZ3 LYS A 86 13.685 11.585 2.723 1.00 22.11 H new ATOM 1358 N PRO A 87 9.957 6.251 3.483 1.00 11.44 N ATOM 1359 CA PRO A 87 9.863 5.274 2.375 1.00 35.24 C ATOM 1360 C PRO A 87 8.451 5.185 1.774 1.00 41.43 C ATOM 1361 O PRO A 87 8.284 4.856 0.603 1.00 64.21 O ATOM 1362 CB PRO A 87 10.248 3.933 3.033 1.00 43.10 C ATOM 1363 CG PRO A 87 10.197 4.189 4.506 1.00 62.13 C ATOM 1364 CD PRO A 87 10.541 5.633 4.684 1.00 63.12 C ATOM 0 HA PRO A 87 10.506 5.558 1.542 1.00 35.24 H new ATOM 0 HB2 PRO A 87 9.556 3.141 2.747 1.00 43.10 H new ATOM 0 HB3 PRO A 87 11.243 3.614 2.723 1.00 43.10 H new ATOM 0 HG2 PRO A 87 9.207 3.971 4.906 1.00 62.13 H new ATOM 0 HG3 PRO A 87 10.903 3.551 5.038 1.00 62.13 H new ATOM 0 HD2 PRO A 87 10.113 6.042 5.599 1.00 63.12 H new ATOM 0 HD3 PRO A 87 11.618 5.790 4.738 1.00 63.12 H new ATOM 1372 N PHE A 88 7.451 5.489 2.585 1.00 21.24 N ATOM 1373 CA PHE A 88 6.065 5.444 2.149 1.00 71.41 C ATOM 1374 C PHE A 88 5.613 6.818 1.654 1.00 15.33 C ATOM 1375 O PHE A 88 5.079 6.953 0.553 1.00 25.11 O ATOM 1376 CB PHE A 88 5.174 4.976 3.311 1.00 52.42 C ATOM 1377 CG PHE A 88 3.696 5.020 3.029 1.00 13.34 C ATOM 1378 CD1 PHE A 88 3.069 3.971 2.384 1.00 62.11 C ATOM 1379 CD2 PHE A 88 2.936 6.112 3.422 1.00 32.40 C ATOM 1380 CE1 PHE A 88 1.711 4.009 2.134 1.00 13.02 C ATOM 1381 CE2 PHE A 88 1.580 6.156 3.173 1.00 10.41 C ATOM 1382 CZ PHE A 88 0.967 5.103 2.528 1.00 12.24 C ATOM 0 H PHE A 88 7.575 5.772 3.557 1.00 21.24 H new ATOM 0 HA PHE A 88 5.977 4.738 1.323 1.00 71.41 H new ATOM 0 HB2 PHE A 88 5.450 3.955 3.573 1.00 52.42 H new ATOM 0 HB3 PHE A 88 5.382 5.596 4.183 1.00 52.42 H new ATOM 0 HD1 PHE A 88 3.646 3.113 2.072 1.00 62.11 H new ATOM 0 HD2 PHE A 88 3.412 6.938 3.929 1.00 32.40 H new ATOM 0 HE1 PHE A 88 1.231 3.183 1.630 1.00 13.02 H new ATOM 0 HE2 PHE A 88 1.000 7.013 3.482 1.00 10.41 H new ATOM 0 HZ PHE A 88 -0.094 5.134 2.331 1.00 12.24 H new ATOM 1392 N GLU A 89 5.850 7.826 2.472 1.00 43.11 N ATOM 1393 CA GLU A 89 5.438 9.191 2.179 1.00 31.15 C ATOM 1394 C GLU A 89 6.114 9.716 0.912 1.00 13.30 C ATOM 1395 O GLU A 89 5.462 10.296 0.042 1.00 24.45 O ATOM 1396 CB GLU A 89 5.776 10.082 3.363 1.00 41.23 C ATOM 1397 CG GLU A 89 5.197 11.471 3.278 1.00 53.32 C ATOM 1398 CD GLU A 89 5.614 12.317 4.443 1.00 0.33 C ATOM 1399 OE1 GLU A 89 4.928 12.294 5.473 1.00 62.44 O ATOM 1400 OE2 GLU A 89 6.654 13.009 4.343 1.00 64.52 O ATOM 0 H GLU A 89 6.336 7.723 3.363 1.00 43.11 H new ATOM 0 HA GLU A 89 4.362 9.200 2.007 1.00 31.15 H new ATOM 0 HB2 GLU A 89 5.416 9.606 4.275 1.00 41.23 H new ATOM 0 HB3 GLU A 89 6.860 10.157 3.449 1.00 41.23 H new ATOM 0 HG2 GLU A 89 5.520 11.944 2.351 1.00 53.32 H new ATOM 0 HG3 GLU A 89 4.109 11.410 3.243 1.00 53.32 H new ATOM 1407 N ASP A 90 7.418 9.496 0.813 1.00 64.35 N ATOM 1408 CA ASP A 90 8.194 9.934 -0.346 1.00 62.31 C ATOM 1409 C ASP A 90 7.671 9.287 -1.614 1.00 22.21 C ATOM 1410 O ASP A 90 7.562 9.934 -2.653 1.00 21.10 O ATOM 1411 CB ASP A 90 9.675 9.595 -0.150 1.00 73.45 C ATOM 1412 CG ASP A 90 10.517 9.855 -1.380 1.00 51.35 C ATOM 1413 OD1 ASP A 90 11.012 10.989 -1.545 1.00 41.53 O ATOM 1414 OD2 ASP A 90 10.714 8.914 -2.177 1.00 13.42 O ATOM 0 H ASP A 90 7.966 9.014 1.525 1.00 64.35 H new ATOM 0 HA ASP A 90 8.090 11.015 -0.443 1.00 62.31 H new ATOM 0 HB2 ASP A 90 10.068 10.181 0.681 1.00 73.45 H new ATOM 0 HB3 ASP A 90 9.766 8.545 0.129 1.00 73.45 H new ATOM 1419 N ALA A 91 7.320 8.014 -1.511 1.00 3.23 N ATOM 1420 CA ALA A 91 6.791 7.274 -2.640 1.00 22.21 C ATOM 1421 C ALA A 91 5.410 7.793 -3.029 1.00 34.03 C ATOM 1422 O ALA A 91 5.041 7.777 -4.205 1.00 31.25 O ATOM 1423 CB ALA A 91 6.734 5.790 -2.319 1.00 74.12 C ATOM 0 H ALA A 91 7.394 7.472 -0.650 1.00 3.23 H new ATOM 0 HA ALA A 91 7.459 7.420 -3.489 1.00 22.21 H new ATOM 0 HB1 ALA A 91 6.335 5.247 -3.176 1.00 74.12 H new ATOM 0 HB2 ALA A 91 7.737 5.427 -2.095 1.00 74.12 H new ATOM 0 HB3 ALA A 91 6.089 5.629 -1.455 1.00 74.12 H new ATOM 1429 N SER A 92 4.662 8.261 -2.039 1.00 35.33 N ATOM 1430 CA SER A 92 3.323 8.789 -2.264 1.00 35.22 C ATOM 1431 C SER A 92 3.380 10.104 -3.046 1.00 11.12 C ATOM 1432 O SER A 92 2.643 10.299 -4.011 1.00 13.31 O ATOM 1433 CB SER A 92 2.608 9.003 -0.926 1.00 43.23 C ATOM 1434 OG SER A 92 2.581 7.809 -0.162 1.00 72.54 O ATOM 0 H SER A 92 4.963 8.286 -1.065 1.00 35.33 H new ATOM 0 HA SER A 92 2.764 8.063 -2.854 1.00 35.22 H new ATOM 0 HB2 SER A 92 3.113 9.787 -0.362 1.00 43.23 H new ATOM 0 HB3 SER A 92 1.589 9.346 -1.106 1.00 43.23 H new ATOM 0 HG SER A 92 3.498 7.511 0.011 1.00 72.54 H new ATOM 1440 N PHE A 93 4.275 10.996 -2.633 1.00 70.32 N ATOM 1441 CA PHE A 93 4.420 12.293 -3.288 1.00 1.13 C ATOM 1442 C PHE A 93 5.182 12.176 -4.603 1.00 34.13 C ATOM 1443 O PHE A 93 5.235 13.124 -5.385 1.00 21.11 O ATOM 1444 CB PHE A 93 5.099 13.302 -2.361 1.00 55.11 C ATOM 1445 CG PHE A 93 4.206 13.804 -1.261 1.00 3.41 C ATOM 1446 CD1 PHE A 93 4.119 13.132 -0.054 1.00 3.24 C ATOM 1447 CD2 PHE A 93 3.451 14.951 -1.439 1.00 62.14 C ATOM 1448 CE1 PHE A 93 3.296 13.594 0.952 1.00 10.21 C ATOM 1449 CE2 PHE A 93 2.627 15.418 -0.436 1.00 64.12 C ATOM 1450 CZ PHE A 93 2.550 14.739 0.760 1.00 74.25 C ATOM 0 H PHE A 93 4.910 10.846 -1.849 1.00 70.32 H new ATOM 0 HA PHE A 93 3.418 12.655 -3.516 1.00 1.13 H new ATOM 0 HB2 PHE A 93 5.982 12.840 -1.919 1.00 55.11 H new ATOM 0 HB3 PHE A 93 5.445 14.150 -2.952 1.00 55.11 H new ATOM 0 HD1 PHE A 93 4.702 12.236 0.102 1.00 3.24 H new ATOM 0 HD2 PHE A 93 3.508 15.487 -2.375 1.00 62.14 H new ATOM 0 HE1 PHE A 93 3.236 13.060 1.889 1.00 10.21 H new ATOM 0 HE2 PHE A 93 2.044 16.314 -0.588 1.00 64.12 H new ATOM 0 HZ PHE A 93 1.906 15.103 1.547 1.00 74.25 H new ATOM 1460 N ALA A 94 5.764 11.009 -4.842 1.00 4.44 N ATOM 1461 CA ALA A 94 6.487 10.752 -6.078 1.00 44.33 C ATOM 1462 C ALA A 94 5.550 10.176 -7.135 1.00 53.33 C ATOM 1463 O ALA A 94 5.989 9.724 -8.202 1.00 24.41 O ATOM 1464 CB ALA A 94 7.650 9.805 -5.827 1.00 63.33 C ATOM 0 H ALA A 94 5.749 10.223 -4.193 1.00 4.44 H new ATOM 0 HA ALA A 94 6.885 11.697 -6.447 1.00 44.33 H new ATOM 0 HB1 ALA A 94 8.180 9.624 -6.762 1.00 63.33 H new ATOM 0 HB2 ALA A 94 8.333 10.251 -5.104 1.00 63.33 H new ATOM 0 HB3 ALA A 94 7.272 8.861 -5.435 1.00 63.33 H new ATOM 1470 N LEU A 95 4.265 10.177 -6.828 1.00 31.31 N ATOM 1471 CA LEU A 95 3.260 9.687 -7.746 1.00 64.34 C ATOM 1472 C LEU A 95 2.562 10.836 -8.431 1.00 3.33 C ATOM 1473 O LEU A 95 2.139 11.788 -7.781 1.00 53.21 O ATOM 1474 CB LEU A 95 2.229 8.829 -7.018 1.00 62.25 C ATOM 1475 CG LEU A 95 2.738 7.506 -6.462 1.00 62.41 C ATOM 1476 CD1 LEU A 95 1.612 6.763 -5.766 1.00 24.13 C ATOM 1477 CD2 LEU A 95 3.336 6.659 -7.576 1.00 11.54 C ATOM 0 H LEU A 95 3.893 10.516 -5.941 1.00 31.31 H new ATOM 0 HA LEU A 95 3.764 9.075 -8.494 1.00 64.34 H new ATOM 0 HB2 LEU A 95 1.816 9.412 -6.195 1.00 62.25 H new ATOM 0 HB3 LEU A 95 1.408 8.621 -7.704 1.00 62.25 H new ATOM 0 HG LEU A 95 3.520 7.709 -5.731 1.00 62.41 H new ATOM 0 HD11 LEU A 95 1.988 5.819 -5.373 1.00 24.13 H new ATOM 0 HD12 LEU A 95 1.227 7.370 -4.947 1.00 24.13 H new ATOM 0 HD13 LEU A 95 0.811 6.566 -6.479 1.00 24.13 H new ATOM 0 HD21 LEU A 95 3.696 5.716 -7.163 1.00 11.54 H new ATOM 0 HD22 LEU A 95 2.574 6.458 -8.329 1.00 11.54 H new ATOM 0 HD23 LEU A 95 4.167 7.195 -8.034 1.00 11.54 H new ATOM 1489 N ARG A 96 2.445 10.750 -9.739 1.00 25.25 N ATOM 1490 CA ARG A 96 1.762 11.772 -10.507 1.00 35.00 C ATOM 1491 C ARG A 96 0.250 11.618 -10.358 1.00 14.20 C ATOM 1492 O ARG A 96 -0.224 10.645 -9.762 1.00 34.33 O ATOM 1493 CB ARG A 96 2.175 11.704 -11.979 1.00 3.30 C ATOM 1494 CG ARG A 96 3.658 11.970 -12.204 1.00 44.31 C ATOM 1495 CD ARG A 96 4.043 11.841 -13.669 1.00 71.44 C ATOM 1496 NE ARG A 96 3.781 10.495 -14.198 1.00 31.15 N ATOM 1497 CZ ARG A 96 4.572 9.856 -15.069 1.00 71.00 C ATOM 1498 NH1 ARG A 96 5.693 10.425 -15.501 1.00 12.12 N ATOM 1499 NH2 ARG A 96 4.236 8.646 -15.505 1.00 40.23 N ATOM 0 H ARG A 96 2.815 9.980 -10.296 1.00 25.25 H new ATOM 0 HA ARG A 96 2.049 12.751 -10.122 1.00 35.00 H new ATOM 0 HB2 ARG A 96 1.926 10.719 -12.373 1.00 3.30 H new ATOM 0 HB3 ARG A 96 1.593 12.431 -12.546 1.00 3.30 H new ATOM 0 HG2 ARG A 96 3.904 12.971 -11.851 1.00 44.31 H new ATOM 0 HG3 ARG A 96 4.246 11.269 -11.611 1.00 44.31 H new ATOM 0 HD2 ARG A 96 3.487 12.574 -14.254 1.00 71.44 H new ATOM 0 HD3 ARG A 96 5.101 12.076 -13.786 1.00 71.44 H new ATOM 0 HE ARG A 96 2.939 10.015 -13.880 1.00 31.15 H new ATOM 0 HH11 ARG A 96 5.955 11.353 -15.169 1.00 12.12 H new ATOM 0 HH12 ARG A 96 6.292 9.933 -16.165 1.00 12.12 H new ATOM 0 HH21 ARG A 96 3.377 8.206 -15.176 1.00 40.23 H new ATOM 0 HH22 ARG A 96 4.837 8.158 -16.169 1.00 40.23 H new ATOM 1513 N THR A 97 -0.494 12.577 -10.888 1.00 74.32 N ATOM 1514 CA THR A 97 -1.947 12.569 -10.801 1.00 0.14 C ATOM 1515 C THR A 97 -2.548 11.267 -11.362 1.00 42.22 C ATOM 1516 O THR A 97 -2.479 11.000 -12.571 1.00 1.33 O ATOM 1517 CB THR A 97 -2.543 13.789 -11.539 1.00 73.44 C ATOM 1518 OG1 THR A 97 -1.964 14.997 -11.010 1.00 11.31 O ATOM 1519 CG2 THR A 97 -4.057 13.843 -11.373 1.00 2.54 C ATOM 0 H THR A 97 -0.110 13.379 -11.388 1.00 74.32 H new ATOM 0 HA THR A 97 -2.207 12.628 -9.744 1.00 0.14 H new ATOM 0 HB THR A 97 -2.314 13.695 -12.600 1.00 73.44 H new ATOM 0 HG1 THR A 97 -2.339 15.772 -11.478 1.00 11.31 H new ATOM 0 HG21 THR A 97 -4.450 14.711 -11.902 1.00 2.54 H new ATOM 0 HG22 THR A 97 -4.501 12.936 -11.784 1.00 2.54 H new ATOM 0 HG23 THR A 97 -4.304 13.921 -10.314 1.00 2.54 H new ATOM 1527 N GLY A 98 -3.121 10.463 -10.471 1.00 22.11 N ATOM 1528 CA GLY A 98 -3.725 9.208 -10.864 1.00 21.21 C ATOM 1529 C GLY A 98 -2.698 8.139 -11.192 1.00 25.14 C ATOM 1530 O GLY A 98 -2.772 7.504 -12.244 1.00 61.35 O ATOM 0 H GLY A 98 -3.176 10.665 -9.473 1.00 22.11 H new ATOM 0 HA2 GLY A 98 -4.369 8.852 -10.060 1.00 21.21 H new ATOM 0 HA3 GLY A 98 -4.362 9.373 -11.733 1.00 21.21 H new ATOM 1534 N GLU A 99 -1.737 7.944 -10.304 1.00 51.00 N ATOM 1535 CA GLU A 99 -0.709 6.939 -10.520 1.00 33.31 C ATOM 1536 C GLU A 99 -0.568 6.026 -9.297 1.00 62.13 C ATOM 1537 O GLU A 99 -0.922 6.408 -8.176 1.00 51.34 O ATOM 1538 CB GLU A 99 0.633 7.604 -10.867 1.00 61.54 C ATOM 1539 CG GLU A 99 1.716 6.625 -11.314 1.00 3.14 C ATOM 1540 CD GLU A 99 1.262 5.741 -12.461 1.00 2.20 C ATOM 1541 OE1 GLU A 99 0.637 4.688 -12.196 1.00 41.32 O ATOM 1542 OE2 GLU A 99 1.516 6.097 -13.627 1.00 50.23 O ATOM 0 H GLU A 99 -1.647 8.465 -9.432 1.00 51.00 H new ATOM 0 HA GLU A 99 -1.011 6.320 -11.365 1.00 33.31 H new ATOM 0 HB2 GLU A 99 0.470 8.335 -11.659 1.00 61.54 H new ATOM 0 HB3 GLU A 99 0.991 8.152 -9.995 1.00 61.54 H new ATOM 0 HG2 GLU A 99 2.602 7.182 -11.618 1.00 3.14 H new ATOM 0 HG3 GLU A 99 2.007 5.999 -10.470 1.00 3.14 H new ATOM 1549 N MET A 100 -0.056 4.826 -9.527 1.00 52.23 N ATOM 1550 CA MET A 100 0.128 3.843 -8.475 1.00 32.02 C ATOM 1551 C MET A 100 1.607 3.491 -8.315 1.00 40.44 C ATOM 1552 O MET A 100 2.321 3.300 -9.303 1.00 70.50 O ATOM 1553 CB MET A 100 -0.695 2.587 -8.782 1.00 14.42 C ATOM 1554 CG MET A 100 -0.556 1.476 -7.753 1.00 53.33 C ATOM 1555 SD MET A 100 -1.693 0.107 -8.052 1.00 44.45 S ATOM 1556 CE MET A 100 -1.323 -0.280 -9.760 1.00 3.45 C ATOM 0 H MET A 100 0.243 4.508 -10.449 1.00 52.23 H new ATOM 0 HA MET A 100 -0.220 4.270 -7.535 1.00 32.02 H new ATOM 0 HB2 MET A 100 -1.746 2.866 -8.857 1.00 14.42 H new ATOM 0 HB3 MET A 100 -0.397 2.202 -9.757 1.00 14.42 H new ATOM 0 HG2 MET A 100 0.468 1.102 -7.764 1.00 53.33 H new ATOM 0 HG3 MET A 100 -0.737 1.883 -6.758 1.00 53.33 H new ATOM 0 HE1 MET A 100 -1.409 -1.355 -9.916 1.00 3.45 H new ATOM 0 HE2 MET A 100 -2.026 0.239 -10.411 1.00 3.45 H new ATOM 0 HE3 MET A 100 -0.308 0.041 -9.994 1.00 3.45 H new ATOM 1566 N SER A 101 2.054 3.418 -7.075 1.00 51.44 N ATOM 1567 CA SER A 101 3.440 3.115 -6.751 1.00 62.42 C ATOM 1568 C SER A 101 3.682 1.613 -6.753 1.00 44.33 C ATOM 1569 O SER A 101 2.745 0.822 -6.630 1.00 4.13 O ATOM 1570 CB SER A 101 3.793 3.697 -5.368 1.00 63.41 C ATOM 1571 OG SER A 101 5.122 3.371 -4.983 1.00 65.44 O ATOM 0 H SER A 101 1.463 3.568 -6.257 1.00 51.44 H new ATOM 0 HA SER A 101 4.077 3.568 -7.511 1.00 62.42 H new ATOM 0 HB2 SER A 101 3.676 4.780 -5.389 1.00 63.41 H new ATOM 0 HB3 SER A 101 3.095 3.315 -4.624 1.00 63.41 H new ATOM 0 HG SER A 101 5.214 3.466 -4.012 1.00 65.44 H new ATOM 1577 N GLY A 102 4.945 1.232 -6.892 1.00 31.01 N ATOM 1578 CA GLY A 102 5.307 -0.160 -6.851 1.00 12.12 C ATOM 1579 C GLY A 102 5.412 -0.661 -5.423 1.00 5.11 C ATOM 1580 O GLY A 102 5.054 0.062 -4.484 1.00 32.25 O ATOM 0 H GLY A 102 5.726 1.872 -7.033 1.00 31.01 H new ATOM 0 HA2 GLY A 102 4.564 -0.747 -7.391 1.00 12.12 H new ATOM 0 HA3 GLY A 102 6.260 -0.305 -7.360 1.00 12.12 H new ATOM 1584 N PRO A 103 5.916 -1.884 -5.220 1.00 51.44 N ATOM 1585 CA PRO A 103 6.033 -2.485 -3.889 1.00 43.52 C ATOM 1586 C PRO A 103 7.020 -1.742 -2.989 1.00 72.22 C ATOM 1587 O PRO A 103 8.234 -1.802 -3.196 1.00 22.32 O ATOM 1588 CB PRO A 103 6.543 -3.911 -4.171 1.00 32.31 C ATOM 1589 CG PRO A 103 6.320 -4.128 -5.630 1.00 50.43 C ATOM 1590 CD PRO A 103 6.421 -2.779 -6.268 1.00 63.11 C ATOM 0 HA PRO A 103 5.083 -2.454 -3.356 1.00 43.52 H new ATOM 0 HB2 PRO A 103 7.598 -4.009 -3.916 1.00 32.31 H new ATOM 0 HB3 PRO A 103 6.002 -4.647 -3.577 1.00 32.31 H new ATOM 0 HG2 PRO A 103 7.064 -4.811 -6.041 1.00 50.43 H new ATOM 0 HG3 PRO A 103 5.342 -4.574 -5.813 1.00 50.43 H new ATOM 0 HD2 PRO A 103 7.447 -2.539 -6.545 1.00 63.11 H new ATOM 0 HD3 PRO A 103 5.822 -2.716 -7.177 1.00 63.11 H new ATOM 1598 N VAL A 104 6.495 -1.019 -2.015 1.00 24.21 N ATOM 1599 CA VAL A 104 7.325 -0.319 -1.050 1.00 13.13 C ATOM 1600 C VAL A 104 7.610 -1.231 0.137 1.00 32.44 C ATOM 1601 O VAL A 104 6.684 -1.688 0.812 1.00 55.24 O ATOM 1602 CB VAL A 104 6.645 0.980 -0.554 1.00 22.14 C ATOM 1603 CG1 VAL A 104 7.503 1.676 0.493 1.00 41.10 C ATOM 1604 CG2 VAL A 104 6.360 1.914 -1.720 1.00 25.44 C ATOM 0 H VAL A 104 5.492 -0.901 -1.871 1.00 24.21 H new ATOM 0 HA VAL A 104 8.258 -0.046 -1.543 1.00 13.13 H new ATOM 0 HB VAL A 104 5.696 0.710 -0.090 1.00 22.14 H new ATOM 0 HG11 VAL A 104 7.004 2.586 0.826 1.00 41.10 H new ATOM 0 HG12 VAL A 104 7.650 1.011 1.344 1.00 41.10 H new ATOM 0 HG13 VAL A 104 8.470 1.930 0.060 1.00 41.10 H new ATOM 0 HG21 VAL A 104 5.882 2.821 -1.351 1.00 25.44 H new ATOM 0 HG22 VAL A 104 7.295 2.173 -2.216 1.00 25.44 H new ATOM 0 HG23 VAL A 104 5.698 1.418 -2.430 1.00 25.44 H new ATOM 1614 N PHE A 105 8.878 -1.496 0.388 1.00 13.25 N ATOM 1615 CA PHE A 105 9.269 -2.401 1.457 1.00 32.01 C ATOM 1616 C PHE A 105 9.605 -1.637 2.731 1.00 50.21 C ATOM 1617 O PHE A 105 10.328 -0.638 2.702 1.00 63.11 O ATOM 1618 CB PHE A 105 10.461 -3.255 1.025 1.00 3.45 C ATOM 1619 CG PHE A 105 10.206 -4.075 -0.208 1.00 71.01 C ATOM 1620 CD1 PHE A 105 9.599 -5.316 -0.119 1.00 4.02 C ATOM 1621 CD2 PHE A 105 10.573 -3.602 -1.457 1.00 14.03 C ATOM 1622 CE1 PHE A 105 9.364 -6.070 -1.251 1.00 11.23 C ATOM 1623 CE2 PHE A 105 10.342 -4.352 -2.592 1.00 70.45 C ATOM 1624 CZ PHE A 105 9.737 -5.585 -2.489 1.00 63.21 C ATOM 0 H PHE A 105 9.658 -1.097 -0.134 1.00 13.25 H new ATOM 0 HA PHE A 105 8.423 -3.055 1.667 1.00 32.01 H new ATOM 0 HB2 PHE A 105 11.316 -2.604 0.846 1.00 3.45 H new ATOM 0 HB3 PHE A 105 10.734 -3.922 1.843 1.00 3.45 H new ATOM 0 HD1 PHE A 105 9.306 -5.699 0.847 1.00 4.02 H new ATOM 0 HD2 PHE A 105 11.046 -2.635 -1.544 1.00 14.03 H new ATOM 0 HE1 PHE A 105 8.890 -7.037 -1.169 1.00 11.23 H new ATOM 0 HE2 PHE A 105 10.635 -3.973 -3.560 1.00 70.45 H new ATOM 0 HZ PHE A 105 9.554 -6.173 -3.377 1.00 63.21 H new ATOM 1634 N THR A 106 9.072 -2.111 3.847 1.00 2.23 N ATOM 1635 CA THR A 106 9.292 -1.485 5.143 1.00 71.34 C ATOM 1636 C THR A 106 9.415 -2.552 6.230 1.00 22.25 C ATOM 1637 O THR A 106 9.425 -3.749 5.933 1.00 12.04 O ATOM 1638 CB THR A 106 8.123 -0.548 5.509 1.00 41.23 C ATOM 1639 OG1 THR A 106 6.891 -1.262 5.381 1.00 74.45 O ATOM 1640 CG2 THR A 106 8.094 0.685 4.611 1.00 3.40 C ATOM 0 H THR A 106 8.476 -2.938 3.880 1.00 2.23 H new ATOM 0 HA THR A 106 10.213 -0.906 5.078 1.00 71.34 H new ATOM 0 HB THR A 106 8.261 -0.213 6.537 1.00 41.23 H new ATOM 0 HG1 THR A 106 6.145 -0.626 5.357 1.00 74.45 H new ATOM 0 HG21 THR A 106 7.258 1.323 4.896 1.00 3.40 H new ATOM 0 HG22 THR A 106 9.027 1.238 4.722 1.00 3.40 H new ATOM 0 HG23 THR A 106 7.976 0.376 3.572 1.00 3.40 H new ATOM 1648 N ASP A 107 9.489 -2.116 7.480 1.00 13.10 N ATOM 1649 CA ASP A 107 9.575 -3.029 8.619 1.00 25.14 C ATOM 1650 C ASP A 107 8.224 -3.683 8.902 1.00 62.22 C ATOM 1651 O ASP A 107 8.155 -4.758 9.505 1.00 53.51 O ATOM 1652 CB ASP A 107 10.090 -2.299 9.875 1.00 34.12 C ATOM 1653 CG ASP A 107 9.338 -1.013 10.169 1.00 35.55 C ATOM 1654 OD1 ASP A 107 8.281 -1.062 10.829 1.00 72.15 O ATOM 1655 OD2 ASP A 107 9.802 0.058 9.734 1.00 34.22 O ATOM 0 H ASP A 107 9.491 -1.128 7.735 1.00 13.10 H new ATOM 0 HA ASP A 107 10.287 -3.812 8.360 1.00 25.14 H new ATOM 0 HB2 ASP A 107 10.008 -2.965 10.734 1.00 34.12 H new ATOM 0 HB3 ASP A 107 11.149 -2.072 9.747 1.00 34.12 H new ATOM 1660 N SER A 108 7.157 -3.040 8.462 1.00 2.55 N ATOM 1661 CA SER A 108 5.821 -3.569 8.653 1.00 34.21 C ATOM 1662 C SER A 108 5.469 -4.567 7.550 1.00 4.31 C ATOM 1663 O SER A 108 4.897 -5.630 7.812 1.00 72.41 O ATOM 1664 CB SER A 108 4.803 -2.429 8.699 1.00 32.53 C ATOM 1665 OG SER A 108 5.015 -1.514 7.630 1.00 23.31 O ATOM 0 H SER A 108 7.192 -2.148 7.969 1.00 2.55 H new ATOM 0 HA SER A 108 5.791 -4.098 9.605 1.00 34.21 H new ATOM 0 HB2 SER A 108 3.793 -2.835 8.640 1.00 32.53 H new ATOM 0 HB3 SER A 108 4.881 -1.905 9.652 1.00 32.53 H new ATOM 0 HG SER A 108 4.474 -0.710 7.775 1.00 23.31 H new ATOM 1671 N GLY A 109 5.832 -4.235 6.326 1.00 55.03 N ATOM 1672 CA GLY A 109 5.545 -5.104 5.212 1.00 60.41 C ATOM 1673 C GLY A 109 5.634 -4.380 3.897 1.00 14.34 C ATOM 1674 O GLY A 109 6.403 -3.420 3.762 1.00 23.15 O ATOM 0 H GLY A 109 6.323 -3.374 6.083 1.00 55.03 H new ATOM 0 HA2 GLY A 109 6.245 -5.940 5.214 1.00 60.41 H new ATOM 0 HA3 GLY A 109 4.546 -5.524 5.328 1.00 60.41 H new ATOM 1678 N ILE A 110 4.851 -4.819 2.935 1.00 22.44 N ATOM 1679 CA ILE A 110 4.844 -4.207 1.624 1.00 41.40 C ATOM 1680 C ILE A 110 3.677 -3.235 1.517 1.00 13.14 C ATOM 1681 O ILE A 110 2.554 -3.552 1.915 1.00 53.02 O ATOM 1682 CB ILE A 110 4.748 -5.268 0.499 1.00 70.34 C ATOM 1683 CG1 ILE A 110 5.881 -6.294 0.642 1.00 54.24 C ATOM 1684 CG2 ILE A 110 4.805 -4.599 -0.870 1.00 34.35 C ATOM 1685 CD1 ILE A 110 5.826 -7.417 -0.375 1.00 21.03 C ATOM 0 H ILE A 110 4.207 -5.603 3.038 1.00 22.44 H new ATOM 0 HA ILE A 110 5.785 -3.671 1.499 1.00 41.40 H new ATOM 0 HB ILE A 110 3.794 -5.787 0.589 1.00 70.34 H new ATOM 0 HG12 ILE A 110 6.837 -5.780 0.549 1.00 54.24 H new ATOM 0 HG13 ILE A 110 5.846 -6.722 1.644 1.00 54.24 H new ATOM 0 HG21 ILE A 110 4.736 -5.358 -1.649 1.00 34.35 H new ATOM 0 HG22 ILE A 110 3.973 -3.901 -0.969 1.00 34.35 H new ATOM 0 HG23 ILE A 110 5.746 -4.059 -0.972 1.00 34.35 H new ATOM 0 HD11 ILE A 110 6.659 -8.100 -0.208 1.00 21.03 H new ATOM 0 HD12 ILE A 110 4.886 -7.958 -0.269 1.00 21.03 H new ATOM 0 HD13 ILE A 110 5.893 -7.001 -1.380 1.00 21.03 H new ATOM 1697 N HIS A 111 3.951 -2.047 1.015 1.00 61.13 N ATOM 1698 CA HIS A 111 2.932 -1.018 0.890 1.00 23.41 C ATOM 1699 C HIS A 111 2.707 -0.660 -0.568 1.00 24.12 C ATOM 1700 O HIS A 111 3.660 -0.397 -1.302 1.00 62.43 O ATOM 1701 CB HIS A 111 3.340 0.262 1.654 1.00 42.40 C ATOM 1702 CG HIS A 111 3.563 0.091 3.131 1.00 5.11 C ATOM 1703 ND1 HIS A 111 3.034 0.944 4.079 1.00 62.13 N ATOM 1704 CD2 HIS A 111 4.300 -0.808 3.820 1.00 30.34 C ATOM 1705 CE1 HIS A 111 3.443 0.576 5.276 1.00 22.15 C ATOM 1706 NE2 HIS A 111 4.206 -0.481 5.147 1.00 34.11 N ATOM 0 H HIS A 111 4.875 -1.768 0.685 1.00 61.13 H new ATOM 0 HA HIS A 111 2.013 -1.419 1.318 1.00 23.41 H new ATOM 0 HB2 HIS A 111 4.255 0.654 1.209 1.00 42.40 H new ATOM 0 HB3 HIS A 111 2.566 1.015 1.506 1.00 42.40 H new ATOM 0 HD2 HIS A 111 4.860 -1.632 3.402 1.00 30.34 H new ATOM 0 HE1 HIS A 111 3.192 1.063 6.206 1.00 22.15 H new ATOM 0 HE2 HIS A 111 4.658 -0.981 5.913 1.00 34.11 H new ATOM 1715 N ILE A 112 1.459 -0.671 -0.988 1.00 11.44 N ATOM 1716 CA ILE A 112 1.104 -0.222 -2.325 1.00 51.11 C ATOM 1717 C ILE A 112 0.401 1.118 -2.193 1.00 60.24 C ATOM 1718 O ILE A 112 -0.418 1.300 -1.291 1.00 53.41 O ATOM 1719 CB ILE A 112 0.168 -1.211 -3.062 1.00 50.13 C ATOM 1720 CG1 ILE A 112 0.720 -2.637 -3.004 1.00 12.44 C ATOM 1721 CG2 ILE A 112 -0.013 -0.778 -4.514 1.00 41.34 C ATOM 1722 CD1 ILE A 112 -0.161 -3.650 -3.709 1.00 0.10 C ATOM 0 H ILE A 112 0.670 -0.986 -0.424 1.00 11.44 H new ATOM 0 HA ILE A 112 2.018 -0.149 -2.914 1.00 51.11 H new ATOM 0 HB ILE A 112 -0.800 -1.200 -2.562 1.00 50.13 H new ATOM 0 HG12 ILE A 112 1.713 -2.654 -3.454 1.00 12.44 H new ATOM 0 HG13 ILE A 112 0.838 -2.932 -1.961 1.00 12.44 H new ATOM 0 HG21 ILE A 112 -0.673 -1.480 -5.024 1.00 41.34 H new ATOM 0 HG22 ILE A 112 -0.452 0.219 -4.544 1.00 41.34 H new ATOM 0 HG23 ILE A 112 0.956 -0.764 -5.013 1.00 41.34 H new ATOM 0 HD11 ILE A 112 0.288 -4.640 -3.630 1.00 0.10 H new ATOM 0 HD12 ILE A 112 -1.147 -3.661 -3.244 1.00 0.10 H new ATOM 0 HD13 ILE A 112 -0.258 -3.378 -4.760 1.00 0.10 H new ATOM 1734 N ILE A 113 0.726 2.055 -3.059 1.00 52.22 N ATOM 1735 CA ILE A 113 0.158 3.391 -2.959 1.00 13.31 C ATOM 1736 C ILE A 113 -0.519 3.799 -4.259 1.00 73.35 C ATOM 1737 O ILE A 113 0.061 3.684 -5.329 1.00 14.32 O ATOM 1738 CB ILE A 113 1.250 4.431 -2.620 1.00 63.13 C ATOM 1739 CG1 ILE A 113 2.119 3.936 -1.459 1.00 61.04 C ATOM 1740 CG2 ILE A 113 0.614 5.773 -2.271 1.00 24.55 C ATOM 1741 CD1 ILE A 113 3.346 4.781 -1.212 1.00 61.32 C ATOM 0 H ILE A 113 1.374 1.922 -3.835 1.00 52.22 H new ATOM 0 HA ILE A 113 -0.582 3.365 -2.160 1.00 13.31 H new ATOM 0 HB ILE A 113 1.885 4.564 -3.496 1.00 63.13 H new ATOM 0 HG12 ILE A 113 1.517 3.913 -0.551 1.00 61.04 H new ATOM 0 HG13 ILE A 113 2.430 2.911 -1.662 1.00 61.04 H new ATOM 0 HG21 ILE A 113 1.395 6.495 -2.035 1.00 24.55 H new ATOM 0 HG22 ILE A 113 0.033 6.132 -3.120 1.00 24.55 H new ATOM 0 HG23 ILE A 113 -0.041 5.652 -1.408 1.00 24.55 H new ATOM 0 HD11 ILE A 113 3.910 4.368 -0.376 1.00 61.32 H new ATOM 0 HD12 ILE A 113 3.971 4.784 -2.105 1.00 61.32 H new ATOM 0 HD13 ILE A 113 3.044 5.802 -0.977 1.00 61.32 H new ATOM 1753 N LEU A 114 -1.742 4.266 -4.156 1.00 51.22 N ATOM 1754 CA LEU A 114 -2.482 4.753 -5.305 1.00 52.33 C ATOM 1755 C LEU A 114 -2.901 6.186 -5.058 1.00 62.33 C ATOM 1756 O LEU A 114 -3.666 6.457 -4.136 1.00 62.35 O ATOM 1757 CB LEU A 114 -3.724 3.895 -5.560 1.00 34.45 C ATOM 1758 CG LEU A 114 -4.618 4.362 -6.716 1.00 74.43 C ATOM 1759 CD1 LEU A 114 -3.940 4.127 -8.053 1.00 63.34 C ATOM 1760 CD2 LEU A 114 -5.967 3.668 -6.668 1.00 12.51 C ATOM 0 H LEU A 114 -2.254 4.320 -3.276 1.00 51.22 H new ATOM 0 HA LEU A 114 -1.838 4.696 -6.183 1.00 52.33 H new ATOM 0 HB2 LEU A 114 -3.404 2.872 -5.760 1.00 34.45 H new ATOM 0 HB3 LEU A 114 -4.321 3.869 -4.648 1.00 34.45 H new ATOM 0 HG LEU A 114 -4.783 5.434 -6.604 1.00 74.43 H new ATOM 0 HD11 LEU A 114 -4.593 4.466 -8.857 1.00 63.34 H new ATOM 0 HD12 LEU A 114 -3.003 4.683 -8.088 1.00 63.34 H new ATOM 0 HD13 LEU A 114 -3.736 3.063 -8.176 1.00 63.34 H new ATOM 0 HD21 LEU A 114 -6.584 4.015 -7.497 1.00 12.51 H new ATOM 0 HD22 LEU A 114 -5.825 2.590 -6.747 1.00 12.51 H new ATOM 0 HD23 LEU A 114 -6.462 3.900 -5.725 1.00 12.51 H new ATOM 1772 N ARG A 115 -2.402 7.099 -5.856 1.00 50.23 N ATOM 1773 CA ARG A 115 -2.741 8.494 -5.674 1.00 1.32 C ATOM 1774 C ARG A 115 -4.126 8.795 -6.239 1.00 24.43 C ATOM 1775 O ARG A 115 -4.381 8.601 -7.431 1.00 30.13 O ATOM 1776 CB ARG A 115 -1.697 9.409 -6.309 1.00 71.12 C ATOM 1777 CG ARG A 115 -1.990 10.879 -6.087 1.00 73.25 C ATOM 1778 CD ARG A 115 -0.954 11.769 -6.734 1.00 61.12 C ATOM 1779 NE ARG A 115 -1.352 13.173 -6.675 1.00 24.44 N ATOM 1780 CZ ARG A 115 -0.560 14.200 -6.951 1.00 74.01 C ATOM 1781 NH1 ARG A 115 0.709 14.002 -7.281 1.00 75.41 N ATOM 1782 NH2 ARG A 115 -1.043 15.430 -6.890 1.00 41.53 N ATOM 0 H ARG A 115 -1.766 6.907 -6.630 1.00 50.23 H new ATOM 0 HA ARG A 115 -2.753 8.691 -4.602 1.00 1.32 H new ATOM 0 HB2 ARG A 115 -0.716 9.173 -5.898 1.00 71.12 H new ATOM 0 HB3 ARG A 115 -1.650 9.210 -7.380 1.00 71.12 H new ATOM 0 HG2 ARG A 115 -2.974 11.117 -6.490 1.00 73.25 H new ATOM 0 HG3 ARG A 115 -2.026 11.084 -5.017 1.00 73.25 H new ATOM 0 HD2 ARG A 115 0.005 11.639 -6.233 1.00 61.12 H new ATOM 0 HD3 ARG A 115 -0.813 11.472 -7.773 1.00 61.12 H new ATOM 0 HE ARG A 115 -2.312 13.379 -6.401 1.00 24.44 H new ATOM 0 HH11 ARG A 115 1.083 13.054 -7.324 1.00 75.41 H new ATOM 0 HH12 ARG A 115 1.311 14.798 -7.492 1.00 75.41 H new ATOM 0 HH21 ARG A 115 -2.018 15.583 -6.632 1.00 41.53 H new ATOM 0 HH22 ARG A 115 -0.440 16.226 -7.101 1.00 41.53 H new ATOM 1796 N THR A 116 -5.006 9.256 -5.373 1.00 63.02 N ATOM 1797 CA THR A 116 -6.354 9.601 -5.755 1.00 63.12 C ATOM 1798 C THR A 116 -6.395 11.038 -6.280 1.00 54.14 C ATOM 1799 O THR A 116 -6.727 11.279 -7.440 1.00 61.12 O ATOM 1800 CB THR A 116 -7.309 9.466 -4.550 1.00 34.04 C ATOM 1801 OG1 THR A 116 -7.099 8.198 -3.904 1.00 50.30 O ATOM 1802 CG2 THR A 116 -8.759 9.573 -4.993 1.00 51.31 C ATOM 0 H THR A 116 -4.803 9.401 -4.384 1.00 63.02 H new ATOM 0 HA THR A 116 -6.677 8.917 -6.540 1.00 63.12 H new ATOM 0 HB THR A 116 -7.097 10.276 -3.852 1.00 34.04 H new ATOM 0 HG1 THR A 116 -7.706 8.116 -3.139 1.00 50.30 H new ATOM 0 HG21 THR A 116 -9.412 9.475 -4.126 1.00 51.31 H new ATOM 0 HG22 THR A 116 -8.925 10.542 -5.465 1.00 51.31 H new ATOM 0 HG23 THR A 116 -8.981 8.779 -5.706 1.00 51.31 H new ATOM 1810 N GLU A 117 -6.021 11.982 -5.424 1.00 50.10 N ATOM 1811 CA GLU A 117 -6.002 13.395 -5.784 1.00 22.43 C ATOM 1812 C GLU A 117 -4.627 13.983 -5.526 1.00 35.21 C ATOM 1813 O GLU A 117 -3.852 14.126 -6.496 1.00 0.00 O ATOM 1814 CB GLU A 117 -7.063 14.181 -5.005 1.00 60.01 C ATOM 1815 CG GLU A 117 -8.495 13.891 -5.426 1.00 62.33 C ATOM 1816 CD GLU A 117 -8.773 14.305 -6.855 1.00 10.24 C ATOM 1817 OE1 GLU A 117 -8.885 15.518 -7.113 1.00 22.23 O ATOM 1818 OE2 GLU A 117 -8.869 13.423 -7.728 1.00 62.45 O ATOM 1819 OXT GLU A 117 -4.317 14.281 -4.352 1.00 0.00 O ATOM 0 H GLU A 117 -5.724 11.792 -4.467 1.00 50.10 H new ATOM 0 HA GLU A 117 -6.233 13.474 -6.846 1.00 22.43 H new ATOM 0 HB2 GLU A 117 -6.957 13.957 -3.944 1.00 60.01 H new ATOM 0 HB3 GLU A 117 -6.870 15.247 -5.127 1.00 60.01 H new ATOM 0 HG2 GLU A 117 -8.695 12.825 -5.314 1.00 62.33 H new ATOM 0 HG3 GLU A 117 -9.180 14.415 -4.759 1.00 62.33 H new TER 1826 GLU A 117