USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 761 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 Single : A 1 MET CE :methyl 128:sc= -0.164 (180deg=-0.983) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0931 (180deg=-0.244) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.44) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -6:sc= -2.02 USER MOD Single : A 12 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.34) USER MOD Single : A 23 THR OG1 : rot 178:sc= -1.14 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -165:sc= -0.707 USER MOD Single : A 31 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= -1.71 (180deg=-2.24) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 130:sc= -2.59 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.37) USER MOD Single : A 61 SER OG : rot -120:sc= -0.184 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.087) USER MOD Single : A 88 TYR OH : rot 176:sc= 0.0365 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.165 13.579 0.824 1.00 1.31 N ATOM 2 CA MET A 1 83.352 13.636 -0.655 1.00 0.79 C ATOM 3 C MET A 1 82.024 13.924 -1.353 1.00 0.68 C ATOM 4 O MET A 1 81.015 14.169 -0.717 1.00 0.82 O ATOM 5 CB MET A 1 83.867 12.250 -1.045 1.00 1.18 C ATOM 6 CG MET A 1 85.332 12.118 -0.635 1.00 1.69 C ATOM 7 SD MET A 1 85.990 10.545 -1.242 1.00 2.57 S ATOM 8 CE MET A 1 86.065 10.991 -2.994 1.00 2.76 C ATOM 0 H1 MET A 1 83.803 14.261 1.281 1.00 1.31 H new ATOM 0 H2 MET A 1 82.180 13.816 1.059 1.00 1.31 H new ATOM 0 H3 MET A 1 83.381 12.620 1.165 1.00 1.31 H new ATOM 0 HA MET A 1 84.041 14.428 -0.948 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.271 11.478 -0.558 1.00 1.18 H new ATOM 0 HB3 MET A 1 83.764 12.101 -2.120 1.00 1.18 H new ATOM 0 HG2 MET A 1 85.911 12.947 -1.042 1.00 1.69 H new ATOM 0 HG3 MET A 1 85.423 12.168 0.450 1.00 1.69 H new ATOM 0 HE1 MET A 1 87.063 10.783 -3.380 1.00 2.76 H new ATOM 0 HE2 MET A 1 85.332 10.407 -3.550 1.00 2.76 H new ATOM 0 HE3 MET A 1 85.846 12.053 -3.109 1.00 2.76 H new ATOM 20 N ASP A 2 82.016 13.859 -2.661 1.00 0.57 N ATOM 21 CA ASP A 2 80.750 14.086 -3.426 1.00 0.50 C ATOM 22 C ASP A 2 79.822 12.879 -3.271 1.00 0.41 C ATOM 23 O ASP A 2 80.275 11.751 -3.183 1.00 0.38 O ATOM 24 CB ASP A 2 81.182 14.244 -4.887 1.00 0.54 C ATOM 25 CG ASP A 2 82.057 15.494 -5.041 1.00 0.92 C ATOM 26 OD1 ASP A 2 81.871 16.427 -4.276 1.00 1.70 O ATOM 27 OD2 ASP A 2 82.899 15.495 -5.924 1.00 1.37 O ATOM 0 H ASP A 2 82.835 13.658 -3.235 1.00 0.57 H new ATOM 0 HA ASP A 2 80.205 14.960 -3.070 1.00 0.50 H new ATOM 0 HB2 ASP A 2 81.734 13.361 -5.209 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.304 14.323 -5.528 1.00 0.54 H new ATOM 32 N VAL A 3 78.531 13.108 -3.263 1.00 0.40 N ATOM 33 CA VAL A 3 77.567 11.981 -3.148 1.00 0.33 C ATOM 34 C VAL A 3 76.529 12.074 -4.276 1.00 0.31 C ATOM 35 O VAL A 3 76.010 13.139 -4.560 1.00 0.37 O ATOM 36 CB VAL A 3 76.948 12.141 -1.737 1.00 0.36 C ATOM 37 CG1 VAL A 3 75.841 13.210 -1.699 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.364 10.801 -1.284 1.00 0.30 C ATOM 0 H VAL A 3 78.107 14.033 -3.332 1.00 0.40 H new ATOM 0 HA VAL A 3 78.023 10.997 -3.254 1.00 0.33 H new ATOM 0 HB VAL A 3 77.744 12.464 -1.067 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.440 13.283 -0.688 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.255 14.174 -1.995 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.042 12.931 -2.387 1.00 0.41 H new ATOM 0 HG21 VAL A 3 75.928 10.911 -0.291 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.593 10.484 -1.986 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.155 10.052 -1.252 1.00 0.30 H new ATOM 48 N LEU A 4 76.226 10.974 -4.903 1.00 0.26 N ATOM 49 CA LEU A 4 75.217 10.987 -6.007 1.00 0.28 C ATOM 50 C LEU A 4 73.795 10.923 -5.427 1.00 0.28 C ATOM 51 O LEU A 4 72.848 11.364 -6.052 1.00 0.30 O ATOM 52 CB LEU A 4 75.526 9.746 -6.868 1.00 0.27 C ATOM 53 CG LEU A 4 77.024 9.684 -7.255 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.242 8.552 -8.260 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.487 11.012 -7.882 1.00 0.37 C ATOM 0 H LEU A 4 76.633 10.061 -4.701 1.00 0.26 H new ATOM 0 HA LEU A 4 75.270 11.899 -6.601 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.253 8.844 -6.320 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.916 9.767 -7.771 1.00 0.27 H new ATOM 0 HG LEU A 4 77.606 9.504 -6.351 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.296 8.507 -8.534 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.942 7.605 -7.812 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.643 8.737 -9.152 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.543 10.942 -8.145 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.902 11.214 -8.779 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.344 11.822 -7.166 1.00 0.37 H new ATOM 67 N ALA A 5 73.654 10.457 -4.206 1.00 0.25 N ATOM 68 CA ALA A 5 72.317 10.451 -3.537 1.00 0.25 C ATOM 69 C ALA A 5 72.493 10.077 -2.065 1.00 0.23 C ATOM 70 O ALA A 5 73.466 9.444 -1.699 1.00 0.25 O ATOM 71 CB ALA A 5 71.496 9.390 -4.272 1.00 0.26 C ATOM 0 H ALA A 5 74.416 10.078 -3.643 1.00 0.25 H new ATOM 0 HA ALA A 5 71.825 11.423 -3.573 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.500 9.331 -3.832 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.413 9.659 -5.325 1.00 0.26 H new ATOM 0 HB3 ALA A 5 71.989 8.422 -4.183 1.00 0.26 H new ATOM 77 N LYS A 6 71.607 10.528 -1.214 1.00 0.22 N ATOM 78 CA LYS A 6 71.769 10.277 0.251 1.00 0.22 C ATOM 79 C LYS A 6 70.446 9.804 0.858 1.00 0.21 C ATOM 80 O LYS A 6 69.430 10.462 0.724 1.00 0.23 O ATOM 81 CB LYS A 6 72.169 11.636 0.825 1.00 0.24 C ATOM 82 CG LYS A 6 72.496 11.493 2.310 1.00 1.40 C ATOM 83 CD LYS A 6 72.932 12.849 2.866 1.00 1.50 C ATOM 84 CE LYS A 6 73.773 12.635 4.124 1.00 1.79 C ATOM 85 NZ LYS A 6 73.640 13.901 4.896 1.00 2.30 N ATOM 0 H LYS A 6 70.776 11.061 -1.471 1.00 0.22 H new ATOM 0 HA LYS A 6 72.505 9.503 0.466 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.033 12.028 0.289 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.358 12.352 0.689 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.624 11.128 2.852 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.289 10.758 2.450 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.509 13.393 2.118 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.058 13.457 3.099 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.413 11.782 4.699 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.814 12.433 3.873 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.191 13.831 5.775 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.997 14.694 4.326 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 72.639 14.063 5.127 1.00 2.30 H new ATOM 99 N PHE A 7 70.450 8.668 1.520 1.00 0.19 N ATOM 100 CA PHE A 7 69.185 8.153 2.134 1.00 0.19 C ATOM 101 C PHE A 7 69.485 7.305 3.378 1.00 0.17 C ATOM 102 O PHE A 7 70.609 6.908 3.610 1.00 0.16 O ATOM 103 CB PHE A 7 68.522 7.326 1.025 1.00 0.20 C ATOM 104 CG PHE A 7 69.390 6.146 0.636 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.586 6.353 -0.129 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.010 4.819 1.027 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.403 5.233 -0.502 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.826 3.700 0.653 1.00 0.20 C ATOM 109 CZ PHE A 7 71.022 3.906 -0.111 1.00 0.20 C ATOM 0 H PHE A 7 71.271 8.079 1.660 1.00 0.19 H new ATOM 0 HA PHE A 7 68.533 8.955 2.480 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.549 6.970 1.364 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.345 7.956 0.153 1.00 0.20 H new ATOM 0 HD1 PHE A 7 70.872 7.352 -0.424 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.110 4.663 1.603 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.304 5.389 -1.077 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.539 2.701 0.947 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.636 3.063 -0.392 1.00 0.20 H new ATOM 119 N HIS A 8 68.494 7.085 4.208 1.00 0.18 N ATOM 120 CA HIS A 8 68.717 6.328 5.482 1.00 0.18 C ATOM 121 C HIS A 8 68.001 4.974 5.425 1.00 0.17 C ATOM 122 O HIS A 8 66.864 4.881 5.001 1.00 0.18 O ATOM 123 CB HIS A 8 68.098 7.203 6.575 1.00 0.20 C ATOM 124 CG HIS A 8 68.826 8.518 6.647 1.00 0.77 C ATOM 125 ND1 HIS A 8 69.974 8.686 7.404 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.577 9.738 6.066 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.369 9.965 7.262 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.553 10.649 6.457 1.00 1.99 N ATOM 0 H HIS A 8 67.535 7.399 4.058 1.00 0.18 H new ATOM 0 HA HIS A 8 69.773 6.128 5.661 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.042 7.372 6.364 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.153 6.693 7.537 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.750 9.956 5.407 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.240 10.387 7.741 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.629 11.630 6.186 1.00 1.99 H new ATOM 136 N THR A 9 68.644 3.938 5.903 1.00 0.16 N ATOM 137 CA THR A 9 67.998 2.589 5.944 1.00 0.17 C ATOM 138 C THR A 9 68.582 1.770 7.106 1.00 0.16 C ATOM 139 O THR A 9 69.669 2.052 7.571 1.00 0.15 O ATOM 140 CB THR A 9 68.302 1.951 4.572 1.00 0.17 C ATOM 141 OG1 THR A 9 67.559 0.748 4.442 1.00 0.18 O ATOM 142 CG2 THR A 9 69.799 1.643 4.429 1.00 0.17 C ATOM 0 H THR A 9 69.595 3.969 6.269 1.00 0.16 H new ATOM 0 HA THR A 9 66.923 2.637 6.115 1.00 0.17 H new ATOM 0 HB THR A 9 68.019 2.656 3.790 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.747 0.340 3.571 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.987 1.194 3.454 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.371 2.567 4.519 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.104 0.949 5.212 1.00 0.17 H new ATOM 150 N THR A 10 67.911 0.720 7.520 1.00 0.17 N ATOM 151 CA THR A 10 68.483 -0.160 8.588 1.00 0.17 C ATOM 152 C THR A 10 68.866 -1.522 7.991 1.00 0.17 C ATOM 153 O THR A 10 68.424 -1.880 6.913 1.00 0.17 O ATOM 154 CB THR A 10 67.385 -0.275 9.679 1.00 0.17 C ATOM 155 OG1 THR A 10 67.959 -0.787 10.869 1.00 0.17 O ATOM 156 CG2 THR A 10 66.245 -1.209 9.254 1.00 0.17 C ATOM 0 H THR A 10 66.997 0.436 7.166 1.00 0.17 H new ATOM 0 HA THR A 10 69.397 0.246 9.022 1.00 0.17 H new ATOM 0 HB THR A 10 66.974 0.722 9.835 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.891 -1.040 10.700 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.500 -1.259 10.048 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.781 -0.827 8.345 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.643 -2.206 9.066 1.00 0.17 H new ATOM 164 N VAL A 11 69.721 -2.250 8.660 1.00 0.17 N ATOM 165 CA VAL A 11 70.185 -3.562 8.113 1.00 0.17 C ATOM 166 C VAL A 11 69.111 -4.631 8.324 1.00 0.17 C ATOM 167 O VAL A 11 68.564 -4.767 9.399 1.00 0.17 O ATOM 168 CB VAL A 11 71.456 -3.913 8.902 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.032 -5.238 8.387 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.500 -2.800 8.729 1.00 0.49 C ATOM 0 H VAL A 11 70.119 -1.993 9.563 1.00 0.17 H new ATOM 0 HA VAL A 11 70.380 -3.510 7.042 1.00 0.17 H new ATOM 0 HB VAL A 11 71.205 -4.011 9.958 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.933 -5.485 8.948 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.295 -6.030 8.517 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.278 -5.141 7.329 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.399 -3.054 9.290 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.749 -2.696 7.673 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.094 -1.859 9.101 1.00 0.49 H new ATOM 180 N HIS A 12 68.888 -5.444 7.328 1.00 0.21 N ATOM 181 CA HIS A 12 67.947 -6.593 7.473 1.00 0.25 C ATOM 182 C HIS A 12 68.710 -7.904 7.316 1.00 0.25 C ATOM 183 O HIS A 12 69.899 -7.912 7.062 1.00 0.25 O ATOM 184 CB HIS A 12 66.907 -6.444 6.366 1.00 0.26 C ATOM 185 CG HIS A 12 65.798 -5.548 6.845 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.019 -4.227 7.202 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.458 -5.771 7.038 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.839 -3.710 7.591 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.854 -4.608 7.509 1.00 0.56 N ATOM 0 H HIS A 12 69.322 -5.361 6.409 1.00 0.21 H new ATOM 0 HA HIS A 12 67.471 -6.601 8.453 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.368 -6.025 5.472 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.508 -7.421 6.091 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.949 -6.706 6.853 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.705 -2.693 7.928 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.870 -4.471 7.741 1.00 0.56 H new ATOM 197 N ARG A 13 68.057 -9.006 7.576 1.00 0.29 N ATOM 198 CA ARG A 13 68.747 -10.345 7.570 1.00 0.32 C ATOM 199 C ARG A 13 69.653 -10.526 6.335 1.00 0.29 C ATOM 200 O ARG A 13 69.463 -9.897 5.314 1.00 0.24 O ATOM 201 CB ARG A 13 67.601 -11.356 7.527 1.00 0.36 C ATOM 202 CG ARG A 13 66.866 -11.358 8.870 1.00 0.72 C ATOM 203 CD ARG A 13 65.771 -12.430 8.850 1.00 1.16 C ATOM 204 NE ARG A 13 64.964 -12.188 10.089 1.00 1.81 N ATOM 205 CZ ARG A 13 64.182 -13.122 10.603 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.070 -14.315 10.059 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.499 -12.854 11.682 1.00 2.76 N ATOM 0 H ARG A 13 67.062 -9.043 7.796 1.00 0.29 H new ATOM 0 HA ARG A 13 69.398 -10.461 8.436 1.00 0.32 H new ATOM 0 HB2 ARG A 13 66.910 -11.103 6.723 1.00 0.36 H new ATOM 0 HB3 ARG A 13 67.989 -12.352 7.312 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.568 -11.554 9.681 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.427 -10.378 9.058 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.154 -12.346 7.955 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.200 -13.432 8.849 1.00 1.16 H new ATOM 0 HE ARG A 13 65.019 -11.279 10.548 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.596 -14.542 9.215 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.457 -15.013 10.481 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.573 -11.934 12.117 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.891 -13.564 12.090 1.00 2.76 H new ATOM 221 N ILE A 14 70.696 -11.317 6.474 1.00 0.34 N ATOM 222 CA ILE A 14 71.716 -11.509 5.374 1.00 0.34 C ATOM 223 C ILE A 14 72.458 -10.203 5.017 1.00 0.28 C ATOM 224 O ILE A 14 73.213 -10.178 4.060 1.00 0.29 O ATOM 225 CB ILE A 14 70.953 -12.029 4.139 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.134 -13.271 4.505 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.956 -12.402 3.047 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.165 -13.586 3.363 1.00 0.36 C ATOM 0 H ILE A 14 70.891 -11.851 7.321 1.00 0.34 H new ATOM 0 HA ILE A 14 72.478 -12.212 5.711 1.00 0.34 H new ATOM 0 HB ILE A 14 70.281 -11.247 3.784 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.796 -14.119 4.682 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.583 -13.099 5.429 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.421 -12.770 2.172 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.539 -11.523 2.773 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.624 -13.179 3.417 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.579 -14.469 3.617 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.497 -12.739 3.209 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.729 -13.775 2.449 1.00 0.36 H new ATOM 240 N GLY A 15 72.269 -9.131 5.759 1.00 0.24 N ATOM 241 CA GLY A 15 72.986 -7.856 5.436 1.00 0.20 C ATOM 242 C GLY A 15 72.310 -7.149 4.250 1.00 0.17 C ATOM 243 O GLY A 15 72.910 -6.297 3.616 1.00 0.15 O ATOM 0 H GLY A 15 71.652 -9.087 6.570 1.00 0.24 H new ATOM 0 HA2 GLY A 15 72.986 -7.200 6.307 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.028 -8.068 5.196 1.00 0.20 H new ATOM 247 N ARG A 16 71.095 -7.527 3.909 1.00 0.18 N ATOM 248 CA ARG A 16 70.413 -6.910 2.731 1.00 0.18 C ATOM 249 C ARG A 16 69.712 -5.613 3.145 1.00 0.19 C ATOM 250 O ARG A 16 69.113 -5.538 4.199 1.00 0.24 O ATOM 251 CB ARG A 16 69.393 -7.961 2.277 1.00 0.26 C ATOM 252 CG ARG A 16 68.632 -7.458 1.047 1.00 0.26 C ATOM 253 CD ARG A 16 67.708 -8.567 0.532 1.00 0.76 C ATOM 254 NE ARG A 16 66.621 -8.698 1.561 1.00 0.91 N ATOM 255 CZ ARG A 16 65.667 -9.607 1.451 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.617 -10.446 0.438 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.747 -9.675 2.374 1.00 1.41 N ATOM 0 H ARG A 16 70.551 -8.237 4.399 1.00 0.18 H new ATOM 0 HA ARG A 16 71.109 -6.647 1.935 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.902 -8.896 2.042 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.693 -8.173 3.085 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.049 -6.573 1.303 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.334 -7.163 0.267 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.295 -8.311 -0.444 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.250 -9.505 0.413 1.00 0.76 H new ATOM 0 HE ARG A 16 66.619 -8.070 2.365 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.328 -10.407 -0.292 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.867 -11.135 0.383 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.771 -9.032 3.166 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.004 -10.371 2.304 1.00 1.41 H new ATOM 271 N ILE A 17 69.680 -4.642 2.266 1.00 0.18 N ATOM 272 CA ILE A 17 68.882 -3.404 2.528 1.00 0.21 C ATOM 273 C ILE A 17 68.077 -3.040 1.275 1.00 0.19 C ATOM 274 O ILE A 17 68.485 -3.343 0.169 1.00 0.15 O ATOM 275 CB ILE A 17 69.908 -2.311 2.872 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.862 -2.086 1.691 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.718 -2.735 4.101 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.678 -0.808 1.917 1.00 0.30 C ATOM 0 H ILE A 17 70.175 -4.654 1.374 1.00 0.18 H new ATOM 0 HA ILE A 17 68.168 -3.531 3.341 1.00 0.21 H new ATOM 0 HB ILE A 17 69.375 -1.384 3.082 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.530 -2.941 1.584 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.295 -2.007 0.764 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.444 -1.959 4.343 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.046 -2.880 4.947 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.240 -3.668 3.888 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.353 -0.654 1.075 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.004 0.044 2.002 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.258 -0.904 2.835 1.00 0.30 H new ATOM 290 N ILE A 18 66.979 -2.340 1.434 1.00 0.23 N ATOM 291 CA ILE A 18 66.196 -1.893 0.240 1.00 0.20 C ATOM 292 C ILE A 18 66.168 -0.368 0.174 1.00 0.20 C ATOM 293 O ILE A 18 65.749 0.290 1.109 1.00 0.22 O ATOM 294 CB ILE A 18 64.772 -2.436 0.438 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.796 -3.962 0.647 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.928 -2.101 -0.797 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.469 -4.660 -0.542 1.00 0.24 C ATOM 0 H ILE A 18 66.593 -2.060 2.336 1.00 0.23 H new ATOM 0 HA ILE A 18 66.638 -2.257 -0.687 1.00 0.20 H new ATOM 0 HB ILE A 18 64.338 -1.972 1.324 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.332 -4.200 1.566 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.778 -4.334 0.766 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.917 -2.484 -0.661 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.892 -1.020 -0.930 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.375 -2.560 -1.679 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.476 -5.737 -0.375 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.916 -4.438 -1.455 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.494 -4.302 -0.642 1.00 0.24 H new ATOM 309 N ILE A 19 66.529 0.188 -0.956 1.00 0.17 N ATOM 310 CA ILE A 19 66.433 1.671 -1.125 1.00 0.17 C ATOM 311 C ILE A 19 64.982 2.057 -1.450 1.00 0.19 C ATOM 312 O ILE A 19 64.333 1.368 -2.209 1.00 0.17 O ATOM 313 CB ILE A 19 67.371 2.016 -2.294 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.801 1.552 -1.931 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.343 3.537 -2.522 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.819 1.996 -2.987 1.00 0.23 C ATOM 0 H ILE A 19 66.885 -0.319 -1.766 1.00 0.17 H new ATOM 0 HA ILE A 19 66.717 2.213 -0.223 1.00 0.17 H new ATOM 0 HB ILE A 19 67.051 1.515 -3.208 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.081 1.959 -0.960 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.820 0.466 -1.839 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.005 3.793 -3.349 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.327 3.851 -2.760 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.678 4.047 -1.618 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.813 1.653 -2.701 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.552 1.567 -3.953 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.817 3.084 -3.060 1.00 0.23 H new ATOM 328 N PRO A 20 64.542 3.199 -0.963 1.00 0.24 N ATOM 329 CA PRO A 20 63.193 3.701 -1.344 1.00 0.28 C ATOM 330 C PRO A 20 63.151 3.980 -2.838 1.00 0.26 C ATOM 331 O PRO A 20 64.126 4.417 -3.420 1.00 0.25 O ATOM 332 CB PRO A 20 63.059 4.994 -0.549 1.00 0.34 C ATOM 333 CG PRO A 20 64.473 5.411 -0.323 1.00 0.35 C ATOM 334 CD PRO A 20 65.212 4.136 -0.040 1.00 0.29 C ATOM 0 HA PRO A 20 62.389 2.995 -1.136 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.501 5.750 -1.102 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.532 4.834 0.392 1.00 0.34 H new ATOM 0 HG2 PRO A 20 64.880 5.917 -1.198 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.551 6.106 0.513 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.278 4.225 -0.248 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.115 3.827 1.001 1.00 0.29 H new ATOM 342 N ALA A 21 62.036 3.713 -3.465 1.00 0.28 N ATOM 343 CA ALA A 21 61.926 3.929 -4.943 1.00 0.29 C ATOM 344 C ALA A 21 62.239 5.387 -5.297 1.00 0.31 C ATOM 345 O ALA A 21 62.673 5.686 -6.395 1.00 0.32 O ATOM 346 CB ALA A 21 60.476 3.593 -5.297 1.00 0.33 C ATOM 0 H ALA A 21 61.193 3.353 -3.018 1.00 0.28 H new ATOM 0 HA ALA A 21 62.632 3.310 -5.496 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.322 3.729 -6.367 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.267 2.557 -5.029 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.805 4.253 -4.747 1.00 0.33 H new ATOM 352 N GLY A 22 62.020 6.295 -4.373 1.00 0.34 N ATOM 353 CA GLY A 22 62.298 7.738 -4.655 1.00 0.38 C ATOM 354 C GLY A 22 63.795 7.944 -4.892 1.00 0.37 C ATOM 355 O GLY A 22 64.193 8.644 -5.806 1.00 0.39 O ATOM 0 H GLY A 22 61.662 6.098 -3.439 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.735 8.061 -5.530 1.00 0.38 H new ATOM 0 HA3 GLY A 22 61.966 8.352 -3.818 1.00 0.38 H new ATOM 359 N THR A 23 64.626 7.348 -4.071 1.00 0.34 N ATOM 360 CA THR A 23 66.103 7.524 -4.239 1.00 0.34 C ATOM 361 C THR A 23 66.580 6.798 -5.499 1.00 0.30 C ATOM 362 O THR A 23 67.394 7.314 -6.243 1.00 0.32 O ATOM 363 CB THR A 23 66.740 6.914 -2.988 1.00 0.34 C ATOM 364 OG1 THR A 23 66.215 7.557 -1.834 1.00 0.39 O ATOM 365 CG2 THR A 23 68.256 7.115 -3.037 1.00 0.37 C ATOM 0 H THR A 23 64.346 6.749 -3.294 1.00 0.34 H new ATOM 0 HA THR A 23 66.377 8.573 -4.352 1.00 0.34 H new ATOM 0 HB THR A 23 66.517 5.848 -2.947 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.595 7.147 -1.029 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.710 6.681 -2.146 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.659 6.627 -3.924 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.481 8.181 -3.076 1.00 0.37 H new ATOM 373 N ARG A 24 66.028 5.638 -5.789 1.00 0.26 N ATOM 374 CA ARG A 24 66.401 4.916 -7.067 1.00 0.25 C ATOM 375 C ARG A 24 66.152 5.841 -8.264 1.00 0.28 C ATOM 376 O ARG A 24 66.917 5.880 -9.206 1.00 0.29 O ATOM 377 CB ARG A 24 65.482 3.687 -7.205 1.00 0.25 C ATOM 378 CG ARG A 24 65.351 2.911 -5.890 1.00 0.23 C ATOM 379 CD ARG A 24 65.003 1.456 -6.192 1.00 0.24 C ATOM 380 NE ARG A 24 64.188 1.005 -5.022 1.00 0.27 N ATOM 381 CZ ARG A 24 63.307 0.023 -5.120 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.112 -0.634 -6.241 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.617 -0.306 -4.064 1.00 0.39 N ATOM 0 H ARG A 24 65.341 5.159 -5.206 1.00 0.26 H new ATOM 0 HA ARG A 24 67.450 4.621 -7.039 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.494 4.009 -7.535 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.876 3.026 -7.977 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.284 2.964 -5.329 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.578 3.359 -5.266 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.441 1.369 -7.122 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.902 0.850 -6.305 1.00 0.24 H new ATOM 0 HE ARG A 24 64.315 1.468 -4.122 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.649 -0.392 -7.074 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.424 -1.386 -6.278 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.762 0.191 -3.185 1.00 0.39 H new ATOM 0 HH22 ARG A 24 61.932 -1.060 -4.117 1.00 0.39 H new ATOM 397 N LYS A 25 65.055 6.553 -8.227 1.00 0.32 N ATOM 398 CA LYS A 25 64.692 7.459 -9.360 1.00 0.37 C ATOM 399 C LYS A 25 65.711 8.592 -9.480 1.00 0.38 C ATOM 400 O LYS A 25 66.221 8.866 -10.549 1.00 0.40 O ATOM 401 CB LYS A 25 63.309 8.014 -8.992 1.00 0.42 C ATOM 402 CG LYS A 25 62.799 8.924 -10.107 1.00 1.08 C ATOM 403 CD LYS A 25 61.432 9.490 -9.719 1.00 1.68 C ATOM 404 CE LYS A 25 60.849 10.273 -10.896 1.00 2.42 C ATOM 405 NZ LYS A 25 60.155 11.437 -10.278 1.00 2.97 N ATOM 0 H LYS A 25 64.389 6.546 -7.454 1.00 0.32 H new ATOM 0 HA LYS A 25 64.683 6.940 -10.319 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.609 7.194 -8.832 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.368 8.570 -8.056 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.505 9.736 -10.279 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.722 8.366 -11.040 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.758 8.681 -9.438 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.530 10.140 -8.849 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.632 10.598 -11.580 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.156 9.661 -11.473 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.729 12.023 -11.024 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.410 11.097 -9.637 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.841 12.005 -9.741 1.00 2.97 H new ATOM 419 N PHE A 26 66.010 9.245 -8.386 1.00 0.38 N ATOM 420 CA PHE A 26 66.989 10.383 -8.418 1.00 0.42 C ATOM 421 C PHE A 26 68.339 9.923 -8.977 1.00 0.42 C ATOM 422 O PHE A 26 69.015 10.660 -9.671 1.00 0.46 O ATOM 423 CB PHE A 26 67.133 10.826 -6.957 1.00 0.43 C ATOM 424 CG PHE A 26 68.034 12.036 -6.876 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.544 13.324 -7.276 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.380 11.895 -6.400 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.401 14.472 -7.199 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.237 13.044 -6.325 1.00 0.64 C ATOM 429 CZ PHE A 26 69.747 14.332 -6.724 1.00 0.67 C ATOM 0 H PHE A 26 65.619 9.041 -7.466 1.00 0.38 H new ATOM 0 HA PHE A 26 66.648 11.195 -9.061 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.154 11.062 -6.541 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.546 10.013 -6.360 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.531 13.429 -7.635 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.748 10.925 -6.098 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.032 15.442 -7.499 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.251 12.939 -5.968 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.392 15.196 -6.667 1.00 0.67 H new ATOM 439 N TYR A 27 68.751 8.733 -8.632 1.00 0.39 N ATOM 440 CA TYR A 27 70.088 8.229 -9.083 1.00 0.42 C ATOM 441 C TYR A 27 69.991 7.542 -10.459 1.00 0.35 C ATOM 442 O TYR A 27 70.994 7.336 -11.120 1.00 0.37 O ATOM 443 CB TYR A 27 70.490 7.221 -7.999 1.00 0.46 C ATOM 444 CG TYR A 27 71.892 6.702 -8.232 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.145 5.727 -9.257 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.971 7.166 -7.407 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.471 5.221 -9.456 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.296 6.653 -7.604 1.00 1.16 C ATOM 449 CZ TYR A 27 74.545 5.681 -8.627 1.00 1.18 C ATOM 450 OH TYR A 27 75.816 5.185 -8.808 1.00 1.44 O ATOM 0 H TYR A 27 68.219 8.082 -8.054 1.00 0.39 H new ATOM 0 HA TYR A 27 70.815 9.033 -9.203 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.432 7.694 -7.019 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.787 6.388 -7.993 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.335 5.375 -9.878 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.785 7.901 -6.638 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.661 4.493 -10.231 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.107 7.000 -6.981 1.00 1.16 H new ATOM 0 HH TYR A 27 76.367 5.406 -8.028 1.00 1.44 H new ATOM 460 N GLY A 28 68.797 7.223 -10.920 1.00 0.31 N ATOM 461 CA GLY A 28 68.655 6.586 -12.264 1.00 0.29 C ATOM 462 C GLY A 28 69.062 5.109 -12.177 1.00 0.26 C ATOM 463 O GLY A 28 69.790 4.612 -13.017 1.00 0.27 O ATOM 0 H GLY A 28 67.921 7.378 -10.420 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.625 6.670 -12.611 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.280 7.104 -12.991 1.00 0.29 H new ATOM 467 N ILE A 29 68.643 4.422 -11.138 1.00 0.24 N ATOM 468 CA ILE A 29 69.055 2.992 -10.956 1.00 0.23 C ATOM 469 C ILE A 29 68.089 2.056 -11.689 1.00 0.20 C ATOM 470 O ILE A 29 66.900 2.045 -11.424 1.00 0.22 O ATOM 471 CB ILE A 29 69.006 2.730 -9.441 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.963 3.687 -8.728 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.424 1.283 -9.150 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.853 3.520 -7.208 1.00 0.42 C ATOM 0 H ILE A 29 68.033 4.791 -10.408 1.00 0.24 H new ATOM 0 HA ILE A 29 70.049 2.809 -11.364 1.00 0.23 H new ATOM 0 HB ILE A 29 67.990 2.891 -9.081 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.987 3.493 -9.048 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.732 4.716 -9.005 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.388 1.103 -8.076 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.743 0.599 -9.656 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.439 1.118 -9.511 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.540 4.208 -6.716 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.833 3.737 -6.891 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.107 2.496 -6.935 1.00 0.42 H new ATOM 486 N GLU A 30 68.628 1.162 -12.478 1.00 0.17 N ATOM 487 CA GLU A 30 67.798 0.084 -13.090 1.00 0.18 C ATOM 488 C GLU A 30 68.440 -1.272 -12.791 1.00 0.17 C ATOM 489 O GLU A 30 69.624 -1.354 -12.521 1.00 0.18 O ATOM 490 CB GLU A 30 67.809 0.369 -14.593 1.00 0.22 C ATOM 491 CG GLU A 30 66.858 -0.602 -15.305 1.00 1.06 C ATOM 492 CD GLU A 30 66.921 -0.407 -16.832 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.711 0.405 -17.293 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.170 -1.082 -17.518 1.00 1.37 O ATOM 0 H GLU A 30 69.617 1.134 -12.726 1.00 0.17 H new ATOM 0 HA GLU A 30 66.780 0.061 -12.700 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.503 1.398 -14.781 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.819 0.260 -14.987 1.00 0.22 H new ATOM 0 HG2 GLU A 30 67.124 -1.629 -15.054 1.00 1.06 H new ATOM 0 HG3 GLU A 30 65.838 -0.442 -14.955 1.00 1.06 H new ATOM 501 N GLN A 31 67.667 -2.333 -12.794 1.00 0.20 N ATOM 502 CA GLN A 31 68.232 -3.684 -12.455 1.00 0.20 C ATOM 503 C GLN A 31 69.423 -4.020 -13.363 1.00 0.19 C ATOM 504 O GLN A 31 69.382 -3.807 -14.561 1.00 0.20 O ATOM 505 CB GLN A 31 67.089 -4.674 -12.690 1.00 0.25 C ATOM 506 CG GLN A 31 66.002 -4.460 -11.631 1.00 1.08 C ATOM 507 CD GLN A 31 64.796 -5.365 -11.920 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.798 -6.135 -12.863 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.751 -5.300 -11.141 1.00 1.99 N ATOM 0 H GLN A 31 66.671 -2.324 -13.016 1.00 0.20 H new ATOM 0 HA GLN A 31 68.599 -3.719 -11.429 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.672 -4.535 -13.688 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.463 -5.697 -12.641 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.401 -4.678 -10.640 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.690 -3.416 -11.626 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.744 -4.657 -10.350 1.00 1.99 H new ATOM 0 HE22 GLN A 31 62.941 -5.893 -11.324 1.00 1.99 H new ATOM 518 N GLY A 32 70.468 -4.570 -12.795 1.00 0.18 N ATOM 519 CA GLY A 32 71.658 -4.960 -13.606 1.00 0.19 C ATOM 520 C GLY A 32 72.717 -3.846 -13.597 1.00 0.17 C ATOM 521 O GLY A 32 73.864 -4.092 -13.930 1.00 0.18 O ATOM 0 H GLY A 32 70.546 -4.766 -11.797 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.088 -5.879 -13.209 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.352 -5.168 -14.631 1.00 0.19 H new ATOM 525 N ASP A 33 72.372 -2.642 -13.177 1.00 0.15 N ATOM 526 CA ASP A 33 73.399 -1.553 -13.105 1.00 0.14 C ATOM 527 C ASP A 33 74.294 -1.762 -11.885 1.00 0.13 C ATOM 528 O ASP A 33 73.861 -2.308 -10.888 1.00 0.14 O ATOM 529 CB ASP A 33 72.609 -0.251 -12.965 1.00 0.13 C ATOM 530 CG ASP A 33 71.823 0.033 -14.250 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.224 -0.448 -15.300 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.835 0.740 -14.160 1.00 1.07 O ATOM 0 H ASP A 33 71.432 -2.374 -12.885 1.00 0.15 H new ATOM 0 HA ASP A 33 74.042 -1.540 -13.985 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.925 -0.322 -12.120 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.289 0.575 -12.756 1.00 0.13 H new ATOM 537 N PHE A 34 75.500 -1.241 -11.914 1.00 0.12 N ATOM 538 CA PHE A 34 76.374 -1.308 -10.710 1.00 0.11 C ATOM 539 C PHE A 34 76.514 0.083 -10.105 1.00 0.10 C ATOM 540 O PHE A 34 76.750 1.045 -10.809 1.00 0.11 O ATOM 541 CB PHE A 34 77.726 -1.811 -11.214 1.00 0.12 C ATOM 542 CG PHE A 34 77.605 -3.256 -11.631 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.191 -3.587 -12.965 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.906 -4.300 -10.693 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.078 -4.962 -13.361 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.793 -5.675 -11.089 1.00 0.20 C ATOM 547 CZ PHE A 34 77.379 -6.006 -12.423 1.00 0.21 C ATOM 0 H PHE A 34 75.911 -0.774 -12.722 1.00 0.12 H new ATOM 0 HA PHE A 34 75.968 -1.963 -9.939 1.00 0.11 H new ATOM 0 HB2 PHE A 34 78.059 -1.206 -12.057 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.478 -1.710 -10.431 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.965 -2.801 -13.671 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.217 -4.051 -9.689 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.767 -5.211 -14.365 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.019 -6.461 -10.383 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.294 -7.041 -12.721 1.00 0.21 H new ATOM 557 N VAL A 35 76.460 0.179 -8.804 1.00 0.09 N ATOM 558 CA VAL A 35 76.693 1.492 -8.136 1.00 0.09 C ATOM 559 C VAL A 35 77.729 1.316 -7.025 1.00 0.10 C ATOM 560 O VAL A 35 77.898 0.232 -6.498 1.00 0.10 O ATOM 561 CB VAL A 35 75.327 1.923 -7.582 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.335 2.075 -8.740 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.797 0.871 -6.602 1.00 0.15 C ATOM 0 H VAL A 35 76.264 -0.598 -8.173 1.00 0.09 H new ATOM 0 HA VAL A 35 77.084 2.250 -8.814 1.00 0.09 H new ATOM 0 HB VAL A 35 75.441 2.873 -7.060 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.364 2.381 -8.350 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.701 2.830 -9.436 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.233 1.122 -9.259 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.828 1.188 -6.216 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.688 -0.083 -7.117 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.498 0.759 -5.775 1.00 0.15 H new ATOM 573 N GLU A 36 78.426 2.368 -6.674 1.00 0.12 N ATOM 574 CA GLU A 36 79.462 2.267 -5.606 1.00 0.13 C ATOM 575 C GLU A 36 79.033 3.139 -4.444 1.00 0.13 C ATOM 576 O GLU A 36 78.614 4.262 -4.650 1.00 0.13 O ATOM 577 CB GLU A 36 80.750 2.795 -6.240 1.00 0.14 C ATOM 578 CG GLU A 36 81.919 2.597 -5.267 1.00 0.15 C ATOM 579 CD GLU A 36 83.212 3.209 -5.834 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.159 3.836 -6.884 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.241 3.042 -5.201 1.00 1.03 O ATOM 0 H GLU A 36 78.320 3.296 -7.085 1.00 0.12 H new ATOM 0 HA GLU A 36 79.601 1.252 -5.233 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.949 2.271 -7.175 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.641 3.852 -6.484 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.682 3.059 -4.309 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.066 1.533 -5.080 1.00 0.15 H new ATOM 588 N ILE A 37 78.910 2.558 -3.281 1.00 0.12 N ATOM 589 CA ILE A 37 78.236 3.276 -2.166 1.00 0.11 C ATOM 590 C ILE A 37 78.971 3.041 -0.842 1.00 0.11 C ATOM 591 O ILE A 37 79.666 2.055 -0.676 1.00 0.12 O ATOM 592 CB ILE A 37 76.821 2.681 -2.143 1.00 0.12 C ATOM 593 CG1 ILE A 37 75.986 3.369 -1.061 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.882 1.175 -1.860 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.491 3.179 -1.360 1.00 0.14 C ATOM 0 H ILE A 37 79.246 1.621 -3.057 1.00 0.12 H new ATOM 0 HA ILE A 37 78.224 4.357 -2.303 1.00 0.11 H new ATOM 0 HB ILE A 37 76.359 2.842 -3.117 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.227 2.953 -0.083 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.227 4.431 -1.023 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.872 0.766 -1.847 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.463 0.682 -2.639 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.355 1.005 -0.893 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.900 3.670 -0.587 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.255 3.617 -2.330 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.255 2.115 -1.375 1.00 0.14 H new ATOM 607 N LYS A 38 78.787 3.923 0.107 1.00 0.12 N ATOM 608 CA LYS A 38 79.430 3.746 1.441 1.00 0.13 C ATOM 609 C LYS A 38 78.414 3.978 2.561 1.00 0.13 C ATOM 610 O LYS A 38 77.546 4.822 2.453 1.00 0.14 O ATOM 611 CB LYS A 38 80.531 4.803 1.501 1.00 0.13 C ATOM 612 CG LYS A 38 81.448 4.491 2.682 1.00 0.18 C ATOM 613 CD LYS A 38 82.583 5.516 2.735 1.00 0.25 C ATOM 614 CE LYS A 38 83.559 5.142 3.855 1.00 1.03 C ATOM 615 NZ LYS A 38 83.934 6.438 4.486 1.00 1.11 N ATOM 0 H LYS A 38 78.215 4.763 0.013 1.00 0.12 H new ATOM 0 HA LYS A 38 79.822 2.737 1.570 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.101 4.808 0.572 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.095 5.796 1.613 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.880 4.514 3.612 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.857 3.485 2.582 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.105 5.546 1.779 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.179 6.513 2.909 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.093 4.471 4.577 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.435 4.627 3.460 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.602 6.265 5.264 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.381 7.053 3.776 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.081 6.902 4.859 1.00 1.11 H new ATOM 629 N ILE A 39 78.544 3.261 3.649 1.00 0.14 N ATOM 630 CA ILE A 39 77.615 3.462 4.808 1.00 0.14 C ATOM 631 C ILE A 39 78.379 3.994 6.021 1.00 0.13 C ATOM 632 O ILE A 39 79.536 3.675 6.222 1.00 0.13 O ATOM 633 CB ILE A 39 77.027 2.080 5.125 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.159 1.076 5.396 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.179 1.598 3.948 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.584 -0.181 6.048 1.00 0.20 C ATOM 0 H ILE A 39 79.255 2.543 3.787 1.00 0.14 H new ATOM 0 HA ILE A 39 76.837 4.187 4.569 1.00 0.14 H new ATOM 0 HB ILE A 39 76.400 2.156 6.013 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.660 0.817 4.463 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.909 1.525 6.047 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.763 0.617 4.177 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.367 2.304 3.771 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.801 1.529 3.055 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.388 -0.892 6.239 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.103 0.085 6.989 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.851 -0.634 5.381 1.00 0.20 H new ATOM 648 N VAL A 40 77.710 4.745 6.859 1.00 0.13 N ATOM 649 CA VAL A 40 78.353 5.244 8.112 1.00 0.12 C ATOM 650 C VAL A 40 77.358 5.158 9.275 1.00 0.16 C ATOM 651 O VAL A 40 76.291 5.743 9.234 1.00 0.20 O ATOM 652 CB VAL A 40 78.719 6.706 7.827 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.420 7.310 9.050 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.664 6.781 6.623 1.00 0.16 C ATOM 0 H VAL A 40 76.741 5.035 6.728 1.00 0.13 H new ATOM 0 HA VAL A 40 79.229 4.657 8.389 1.00 0.12 H new ATOM 0 HB VAL A 40 77.807 7.263 7.611 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.679 8.349 8.845 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.753 7.266 9.911 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.327 6.746 9.265 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.920 7.822 6.426 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.572 6.218 6.838 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.173 6.356 5.748 1.00 0.16 H new ATOM 664 N LYS A 41 77.752 4.519 10.344 1.00 0.17 N ATOM 665 CA LYS A 41 76.899 4.479 11.569 1.00 0.22 C ATOM 666 C LYS A 41 77.751 4.789 12.795 1.00 0.21 C ATOM 667 O LYS A 41 78.909 4.426 12.853 1.00 0.22 O ATOM 668 CB LYS A 41 76.365 3.053 11.654 1.00 0.28 C ATOM 669 CG LYS A 41 75.343 2.972 12.789 1.00 0.54 C ATOM 670 CD LYS A 41 74.949 1.514 13.027 1.00 1.11 C ATOM 671 CE LYS A 41 73.833 1.456 14.071 1.00 1.50 C ATOM 672 NZ LYS A 41 72.608 1.911 13.355 1.00 1.98 N ATOM 0 H LYS A 41 78.637 4.018 10.422 1.00 0.17 H new ATOM 0 HA LYS A 41 76.091 5.209 11.528 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.902 2.767 10.709 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.183 2.355 11.833 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.763 3.398 13.700 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.460 3.561 12.539 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.615 1.059 12.095 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.812 0.943 13.369 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.710 0.445 14.460 1.00 1.50 H new ATOM 0 HE3 LYS A 41 74.055 2.101 14.922 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.787 1.833 13.988 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 72.726 2.901 13.060 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 72.455 1.316 12.516 1.00 1.98 H new ATOM 686 N TYR A 42 77.184 5.440 13.775 1.00 0.20 N ATOM 687 CA TYR A 42 77.961 5.760 15.013 1.00 0.20 C ATOM 688 C TYR A 42 77.524 4.846 16.161 1.00 0.27 C ATOM 689 O TYR A 42 76.353 4.776 16.491 1.00 0.33 O ATOM 690 CB TYR A 42 77.632 7.218 15.326 1.00 0.22 C ATOM 691 CG TYR A 42 78.630 7.749 16.327 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.931 8.159 15.886 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.278 7.844 17.715 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.884 8.664 16.831 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.232 8.349 18.662 1.00 0.25 C ATOM 696 CZ TYR A 42 80.535 8.759 18.220 1.00 0.28 C ATOM 697 OH TYR A 42 81.451 9.245 19.130 1.00 0.33 O ATOM 0 H TYR A 42 76.217 5.765 13.774 1.00 0.20 H new ATOM 0 HA TYR A 42 79.032 5.609 14.879 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.662 7.814 14.414 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.621 7.297 15.726 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.194 8.087 14.841 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.297 7.536 18.047 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.864 8.973 16.498 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.969 8.420 19.707 1.00 0.25 H new ATOM 0 HH TYR A 42 81.054 9.244 20.026 1.00 0.33 H new ATOM 707 N GLU A 43 78.458 4.167 16.787 1.00 0.29 N ATOM 708 CA GLU A 43 78.103 3.281 17.937 1.00 0.37 C ATOM 709 C GLU A 43 79.154 3.398 19.046 1.00 0.35 C ATOM 710 O GLU A 43 80.336 3.537 18.786 1.00 0.30 O ATOM 711 CB GLU A 43 78.065 1.859 17.362 1.00 0.44 C ATOM 712 CG GLU A 43 79.426 1.494 16.759 1.00 0.63 C ATOM 713 CD GLU A 43 79.338 0.112 16.112 1.00 0.80 C ATOM 714 OE1 GLU A 43 79.537 -0.864 16.815 1.00 1.48 O ATOM 715 OE2 GLU A 43 79.072 0.053 14.922 1.00 1.34 O ATOM 0 H GLU A 43 79.450 4.190 16.549 1.00 0.29 H new ATOM 0 HA GLU A 43 77.147 3.555 18.384 1.00 0.37 H new ATOM 0 HB2 GLU A 43 77.805 1.149 18.147 1.00 0.44 H new ATOM 0 HB3 GLU A 43 77.290 1.788 16.598 1.00 0.44 H new ATOM 0 HG2 GLU A 43 79.719 2.237 16.018 1.00 0.63 H new ATOM 0 HG3 GLU A 43 80.193 1.497 17.534 1.00 0.63 H new ATOM 722 N GLY A 44 78.719 3.388 20.282 1.00 0.41 N ATOM 723 CA GLY A 44 79.668 3.545 21.427 1.00 0.41 C ATOM 724 C GLY A 44 80.397 4.887 21.314 1.00 0.37 C ATOM 725 O GLY A 44 79.781 5.924 21.147 1.00 0.37 O ATOM 0 H GLY A 44 77.741 3.277 20.548 1.00 0.41 H new ATOM 0 HA2 GLY A 44 79.125 3.493 22.371 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.389 2.728 21.429 1.00 0.41 H new ATOM 729 N GLU A 45 81.706 4.866 21.383 1.00 0.37 N ATOM 730 CA GLU A 45 82.492 6.132 21.256 1.00 0.37 C ATOM 731 C GLU A 45 83.180 6.246 19.879 1.00 0.34 C ATOM 732 O GLU A 45 83.981 7.141 19.668 1.00 0.36 O ATOM 733 CB GLU A 45 83.525 6.088 22.396 1.00 0.44 C ATOM 734 CG GLU A 45 84.547 4.957 22.177 1.00 0.45 C ATOM 735 CD GLU A 45 85.561 4.934 23.327 1.00 0.54 C ATOM 736 OE1 GLU A 45 85.775 5.974 23.933 1.00 1.17 O ATOM 737 OE2 GLU A 45 86.112 3.875 23.579 1.00 1.27 O ATOM 0 H GLU A 45 82.265 4.024 21.522 1.00 0.37 H new ATOM 0 HA GLU A 45 81.846 7.007 21.329 1.00 0.37 H new ATOM 0 HB2 GLU A 45 84.044 7.044 22.457 1.00 0.44 H new ATOM 0 HB3 GLU A 45 83.014 5.941 23.348 1.00 0.44 H new ATOM 0 HG2 GLU A 45 84.032 3.998 22.116 1.00 0.45 H new ATOM 0 HG3 GLU A 45 85.064 5.102 21.229 1.00 0.45 H new ATOM 744 N GLU A 46 82.931 5.325 18.967 1.00 0.31 N ATOM 745 CA GLU A 46 83.639 5.371 17.647 1.00 0.30 C ATOM 746 C GLU A 46 82.645 5.221 16.472 1.00 0.25 C ATOM 747 O GLU A 46 81.806 4.340 16.497 1.00 0.25 O ATOM 748 CB GLU A 46 84.625 4.192 17.681 1.00 0.38 C ATOM 749 CG GLU A 46 83.869 2.859 17.835 1.00 0.41 C ATOM 750 CD GLU A 46 84.452 2.055 19.002 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.665 1.935 19.066 1.00 1.37 O ATOM 752 OE2 GLU A 46 83.677 1.573 19.811 1.00 1.19 O ATOM 0 H GLU A 46 82.274 4.553 19.082 1.00 0.31 H new ATOM 0 HA GLU A 46 84.144 6.325 17.494 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.215 4.178 16.765 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.323 4.318 18.508 1.00 0.38 H new ATOM 0 HG2 GLU A 46 82.810 3.050 18.008 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.942 2.282 16.913 1.00 0.41 H new ATOM 759 N PRO A 47 82.862 5.977 15.406 1.00 0.25 N ATOM 760 CA PRO A 47 82.079 5.759 14.166 1.00 0.21 C ATOM 761 C PRO A 47 82.584 4.503 13.440 1.00 0.27 C ATOM 762 O PRO A 47 83.772 4.341 13.231 1.00 0.34 O ATOM 763 CB PRO A 47 82.331 7.015 13.321 1.00 0.24 C ATOM 764 CG PRO A 47 83.228 7.905 14.131 1.00 0.33 C ATOM 765 CD PRO A 47 83.816 7.081 15.244 1.00 0.31 C ATOM 0 HA PRO A 47 81.018 5.605 14.360 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.798 6.755 12.371 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.393 7.519 13.088 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.018 8.321 13.506 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.666 8.747 14.536 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.811 6.716 14.988 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.916 7.661 16.161 1.00 0.31 H new ATOM 773 N LYS A 48 81.683 3.702 12.928 1.00 0.26 N ATOM 774 CA LYS A 48 82.090 2.553 12.060 1.00 0.35 C ATOM 775 C LYS A 48 81.627 2.806 10.624 1.00 0.28 C ATOM 776 O LYS A 48 80.552 3.330 10.401 1.00 0.24 O ATOM 777 CB LYS A 48 81.382 1.332 12.647 1.00 0.45 C ATOM 778 CG LYS A 48 81.850 1.108 14.086 1.00 0.60 C ATOM 779 CD LYS A 48 83.324 0.704 14.078 1.00 0.47 C ATOM 780 CE LYS A 48 83.743 0.259 15.481 1.00 0.48 C ATOM 781 NZ LYS A 48 83.665 -1.228 15.450 1.00 1.10 N ATOM 0 H LYS A 48 80.678 3.795 13.074 1.00 0.26 H new ATOM 0 HA LYS A 48 83.171 2.413 12.034 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.302 1.480 12.624 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.596 0.450 12.043 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.713 2.017 14.671 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.250 0.331 14.559 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.486 -0.105 13.366 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.939 1.543 13.753 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.752 0.597 15.718 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.081 0.674 16.241 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 83.938 -1.609 16.378 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.692 -1.520 15.229 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 84.311 -1.594 14.722 1.00 1.10 H new ATOM 795 N GLU A 49 82.462 2.514 9.657 1.00 0.26 N ATOM 796 CA GLU A 49 82.113 2.820 8.235 1.00 0.20 C ATOM 797 C GLU A 49 82.451 1.637 7.327 1.00 0.19 C ATOM 798 O GLU A 49 83.196 0.749 7.700 1.00 0.21 O ATOM 799 CB GLU A 49 82.966 4.036 7.871 1.00 0.25 C ATOM 800 CG GLU A 49 82.592 5.217 8.775 1.00 0.80 C ATOM 801 CD GLU A 49 83.386 6.471 8.374 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.403 6.334 7.708 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.959 7.553 8.741 1.00 1.42 O ATOM 0 H GLU A 49 83.373 2.076 9.792 1.00 0.26 H new ATOM 0 HA GLU A 49 81.047 3.013 8.110 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.024 3.798 7.985 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.810 4.302 6.825 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.523 5.416 8.700 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.797 4.966 9.816 1.00 0.80 H new ATOM 810 N GLY A 50 81.927 1.641 6.126 1.00 0.16 N ATOM 811 CA GLY A 50 82.231 0.544 5.162 1.00 0.16 C ATOM 812 C GLY A 50 81.948 1.021 3.737 1.00 0.15 C ATOM 813 O GLY A 50 80.909 1.585 3.466 1.00 0.17 O ATOM 0 H GLY A 50 81.298 2.362 5.772 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.274 0.243 5.255 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.625 -0.333 5.390 1.00 0.16 H new ATOM 817 N THR A 51 82.835 0.729 2.816 1.00 0.14 N ATOM 818 CA THR A 51 82.586 1.090 1.386 1.00 0.14 C ATOM 819 C THR A 51 82.663 -0.165 0.517 1.00 0.13 C ATOM 820 O THR A 51 83.574 -0.962 0.658 1.00 0.15 O ATOM 821 CB THR A 51 83.711 2.055 1.004 1.00 0.16 C ATOM 822 OG1 THR A 51 83.957 2.951 2.078 1.00 0.18 O ATOM 823 CG2 THR A 51 83.300 2.848 -0.240 1.00 0.21 C ATOM 0 H THR A 51 83.721 0.256 2.994 1.00 0.14 H new ATOM 0 HA THR A 51 81.602 1.537 1.243 1.00 0.14 H new ATOM 0 HB THR A 51 84.618 1.489 0.793 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.917 2.970 2.275 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.100 3.536 -0.514 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.115 2.160 -1.065 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.392 3.413 -0.028 1.00 0.21 H new ATOM 831 N PHE A 52 81.756 -0.315 -0.421 1.00 0.12 N ATOM 832 CA PHE A 52 81.829 -1.489 -1.347 1.00 0.13 C ATOM 833 C PHE A 52 81.098 -1.195 -2.672 1.00 0.11 C ATOM 834 O PHE A 52 80.361 -0.231 -2.784 1.00 0.10 O ATOM 835 CB PHE A 52 81.191 -2.662 -0.563 1.00 0.14 C ATOM 836 CG PHE A 52 79.678 -2.542 -0.501 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.059 -1.552 0.334 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.869 -3.418 -1.297 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.627 -1.444 0.372 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.441 -3.308 -1.260 1.00 0.14 C ATOM 841 CZ PHE A 52 76.819 -2.323 -0.427 1.00 0.15 C ATOM 0 H PHE A 52 80.975 0.320 -0.584 1.00 0.12 H new ATOM 0 HA PHE A 52 82.852 -1.727 -1.637 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.462 -3.606 -1.037 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.596 -2.686 0.449 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.668 -0.890 0.932 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.337 -4.162 -1.925 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.158 -0.702 1.001 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.833 -3.968 -1.861 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.742 -2.241 -0.399 1.00 0.15 H new ATOM 851 N THR A 53 81.208 -2.091 -3.622 1.00 0.12 N ATOM 852 CA THR A 53 80.424 -1.958 -4.887 1.00 0.11 C ATOM 853 C THR A 53 79.304 -3.001 -4.906 1.00 0.11 C ATOM 854 O THR A 53 79.471 -4.105 -4.420 1.00 0.12 O ATOM 855 CB THR A 53 81.426 -2.226 -6.012 1.00 0.11 C ATOM 856 OG1 THR A 53 82.515 -1.319 -5.899 1.00 0.13 O ATOM 857 CG2 THR A 53 80.739 -2.038 -7.365 1.00 0.11 C ATOM 0 H THR A 53 81.811 -2.913 -3.574 1.00 0.12 H new ATOM 0 HA THR A 53 79.960 -0.977 -4.990 1.00 0.11 H new ATOM 0 HB THR A 53 81.795 -3.249 -5.935 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.159 -1.490 -6.618 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.454 -2.229 -8.166 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.905 -2.734 -7.449 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.368 -1.016 -7.446 1.00 0.11 H new ATOM 865 N ALA A 54 78.145 -2.631 -5.394 1.00 0.11 N ATOM 866 CA ALA A 54 76.980 -3.567 -5.364 1.00 0.13 C ATOM 867 C ALA A 54 76.156 -3.435 -6.644 1.00 0.13 C ATOM 868 O ALA A 54 75.970 -2.349 -7.159 1.00 0.11 O ATOM 869 CB ALA A 54 76.156 -3.130 -4.147 1.00 0.14 C ATOM 0 H ALA A 54 77.956 -1.720 -5.812 1.00 0.11 H new ATOM 0 HA ALA A 54 77.291 -4.610 -5.297 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.278 -3.770 -4.053 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.764 -3.214 -3.246 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.839 -2.095 -4.275 1.00 0.14 H new ATOM 875 N ARG A 55 75.588 -4.524 -7.105 1.00 0.15 N ATOM 876 CA ARG A 55 74.683 -4.458 -8.290 1.00 0.15 C ATOM 877 C ARG A 55 73.234 -4.310 -7.824 1.00 0.15 C ATOM 878 O ARG A 55 72.840 -4.864 -6.813 1.00 0.16 O ATOM 879 CB ARG A 55 74.874 -5.781 -9.029 1.00 0.19 C ATOM 880 CG ARG A 55 74.356 -5.637 -10.463 1.00 0.27 C ATOM 881 CD ARG A 55 74.409 -6.994 -11.171 1.00 0.45 C ATOM 882 NE ARG A 55 73.215 -7.743 -10.665 1.00 0.90 N ATOM 883 CZ ARG A 55 73.157 -9.065 -10.694 1.00 1.48 C ATOM 884 NH1 ARG A 55 74.136 -9.795 -11.183 1.00 1.67 N ATOM 885 NH2 ARG A 55 72.093 -9.660 -10.230 1.00 2.21 N ATOM 0 H ARG A 55 75.714 -5.456 -6.709 1.00 0.15 H new ATOM 0 HA ARG A 55 74.909 -3.607 -8.933 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.928 -6.058 -9.037 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.338 -6.579 -8.515 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.333 -5.261 -10.454 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.959 -4.909 -11.006 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.371 -6.876 -12.254 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.334 -7.523 -10.941 1.00 0.45 H new ATOM 0 HE ARG A 55 72.425 -7.220 -10.288 1.00 0.90 H new ATOM 0 HH11 ARG A 55 74.972 -9.344 -11.555 1.00 1.67 H new ATOM 0 HH12 ARG A 55 74.059 -10.812 -11.190 1.00 1.67 H new ATOM 0 HH21 ARG A 55 71.323 -9.107 -9.853 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.031 -10.678 -10.244 1.00 2.21 H new ATOM 899 N VAL A 56 72.447 -3.565 -8.552 1.00 0.14 N ATOM 900 CA VAL A 56 71.018 -3.364 -8.165 1.00 0.14 C ATOM 901 C VAL A 56 70.191 -4.584 -8.567 1.00 0.15 C ATOM 902 O VAL A 56 70.161 -4.975 -9.719 1.00 0.17 O ATOM 903 CB VAL A 56 70.578 -2.110 -8.932 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.081 -1.830 -8.708 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.403 -0.918 -8.439 1.00 0.17 C ATOM 0 H VAL A 56 72.733 -3.083 -9.404 1.00 0.14 H new ATOM 0 HA VAL A 56 70.883 -3.242 -7.090 1.00 0.14 H new ATOM 0 HB VAL A 56 70.740 -2.268 -9.998 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.791 -0.937 -9.261 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.495 -2.680 -9.059 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.895 -1.675 -7.645 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.100 -0.019 -8.976 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.236 -0.776 -7.371 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.461 -1.109 -8.618 1.00 0.17 H new ATOM 915 N GLY A 57 69.483 -5.149 -7.626 1.00 0.16 N ATOM 916 CA GLY A 57 68.600 -6.311 -7.932 1.00 0.19 C ATOM 917 C GLY A 57 67.142 -5.854 -7.990 1.00 0.18 C ATOM 918 O GLY A 57 66.843 -4.670 -7.984 1.00 0.16 O ATOM 0 H GLY A 57 69.479 -4.852 -6.650 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.889 -6.758 -8.883 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.719 -7.081 -7.169 1.00 0.19 H new ATOM 922 N GLU A 58 66.233 -6.792 -8.047 1.00 0.21 N ATOM 923 CA GLU A 58 64.782 -6.436 -8.115 1.00 0.22 C ATOM 924 C GLU A 58 64.374 -5.667 -6.855 1.00 0.22 C ATOM 925 O GLU A 58 65.022 -5.744 -5.829 1.00 0.24 O ATOM 926 CB GLU A 58 64.036 -7.770 -8.198 1.00 0.27 C ATOM 927 CG GLU A 58 62.582 -7.519 -8.622 1.00 0.81 C ATOM 928 CD GLU A 58 61.770 -8.827 -8.586 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.311 -9.850 -8.190 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.608 -8.780 -8.958 1.00 1.39 O ATOM 0 H GLU A 58 66.432 -7.792 -8.049 1.00 0.21 H new ATOM 0 HA GLU A 58 64.555 -5.798 -8.969 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.526 -8.429 -8.915 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.062 -8.274 -7.232 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.126 -6.784 -7.958 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.559 -7.098 -9.627 1.00 0.81 H new ATOM 937 N GLN A 59 63.331 -4.880 -6.948 1.00 0.25 N ATOM 938 CA GLN A 59 62.878 -4.042 -5.788 1.00 0.30 C ATOM 939 C GLN A 59 64.005 -3.145 -5.250 1.00 0.23 C ATOM 940 O GLN A 59 63.868 -2.575 -4.181 1.00 0.23 O ATOM 941 CB GLN A 59 62.426 -5.030 -4.704 1.00 0.37 C ATOM 942 CG GLN A 59 61.234 -5.850 -5.207 1.00 0.46 C ATOM 943 CD GLN A 59 60.040 -4.927 -5.461 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.692 -4.119 -4.623 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.392 -5.014 -6.591 1.00 0.81 N ATOM 0 H GLN A 59 62.764 -4.779 -7.790 1.00 0.25 H new ATOM 0 HA GLN A 59 62.076 -3.371 -6.095 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.249 -5.694 -4.439 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.150 -4.489 -3.799 1.00 0.37 H new ATOM 0 HG2 GLN A 59 61.502 -6.373 -6.125 1.00 0.46 H new ATOM 0 HG3 GLN A 59 60.968 -6.610 -4.473 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.683 -5.692 -7.295 1.00 0.81 H new ATOM 0 HE22 GLN A 59 58.594 -4.404 -6.770 1.00 0.81 H new ATOM 954 N GLY A 60 65.044 -2.897 -6.026 1.00 0.19 N ATOM 955 CA GLY A 60 66.073 -1.896 -5.596 1.00 0.16 C ATOM 956 C GLY A 60 66.928 -2.456 -4.453 1.00 0.12 C ATOM 957 O GLY A 60 67.478 -1.702 -3.667 1.00 0.12 O ATOM 0 H GLY A 60 65.218 -3.341 -6.927 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.711 -1.637 -6.441 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.582 -0.978 -5.274 1.00 0.16 H new ATOM 961 N SER A 61 66.966 -3.759 -4.293 1.00 0.14 N ATOM 962 CA SER A 61 67.704 -4.352 -3.134 1.00 0.16 C ATOM 963 C SER A 61 69.209 -4.361 -3.406 1.00 0.15 C ATOM 964 O SER A 61 69.649 -4.638 -4.507 1.00 0.18 O ATOM 965 CB SER A 61 67.180 -5.781 -3.003 1.00 0.21 C ATOM 966 OG SER A 61 67.761 -6.390 -1.858 1.00 1.30 O ATOM 0 H SER A 61 66.519 -4.434 -4.913 1.00 0.14 H new ATOM 0 HA SER A 61 67.548 -3.778 -2.221 1.00 0.16 H new ATOM 0 HB2 SER A 61 66.094 -5.776 -2.915 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.424 -6.354 -3.898 1.00 0.21 H new ATOM 0 HG SER A 61 68.267 -7.184 -2.131 1.00 1.30 H new ATOM 972 N VAL A 62 69.992 -4.154 -2.382 1.00 0.14 N ATOM 973 CA VAL A 62 71.477 -4.251 -2.518 1.00 0.15 C ATOM 974 C VAL A 62 72.062 -4.969 -1.292 1.00 0.14 C ATOM 975 O VAL A 62 71.510 -4.897 -0.211 1.00 0.14 O ATOM 976 CB VAL A 62 71.968 -2.800 -2.608 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.576 -2.028 -1.345 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.491 -2.785 -2.758 1.00 0.21 C ATOM 0 H VAL A 62 69.664 -3.919 -1.445 1.00 0.14 H new ATOM 0 HA VAL A 62 71.786 -4.823 -3.393 1.00 0.15 H new ATOM 0 HB VAL A 62 71.506 -2.324 -3.473 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.931 -1.000 -1.422 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.491 -2.031 -1.239 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.027 -2.503 -0.474 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.840 -1.754 -2.822 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.946 -3.269 -1.894 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.773 -3.320 -3.665 1.00 0.21 H new ATOM 988 N ILE A 63 73.119 -5.727 -1.476 1.00 0.16 N ATOM 989 CA ILE A 63 73.679 -6.531 -0.341 1.00 0.17 C ATOM 990 C ILE A 63 75.051 -5.990 0.080 1.00 0.16 C ATOM 991 O ILE A 63 75.994 -6.012 -0.689 1.00 0.19 O ATOM 992 CB ILE A 63 73.817 -7.963 -0.883 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.461 -8.479 -1.409 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.316 -8.889 0.231 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.409 -8.461 -0.293 1.00 0.34 C ATOM 0 H ILE A 63 73.617 -5.823 -2.361 1.00 0.16 H new ATOM 0 HA ILE A 63 73.036 -6.486 0.538 1.00 0.17 H new ATOM 0 HB ILE A 63 74.532 -7.955 -1.705 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.127 -7.859 -2.241 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.575 -9.493 -1.793 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.413 -9.904 -0.155 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.286 -8.541 0.586 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.604 -8.882 1.056 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.459 -8.828 -0.682 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.737 -9.101 0.526 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.282 -7.441 0.071 1.00 0.34 H new ATOM 1007 N ILE A 64 75.197 -5.645 1.338 1.00 0.15 N ATOM 1008 CA ILE A 64 76.545 -5.266 1.870 1.00 0.16 C ATOM 1009 C ILE A 64 77.371 -6.540 2.131 1.00 0.18 C ATOM 1010 O ILE A 64 76.821 -7.539 2.540 1.00 0.20 O ATOM 1011 CB ILE A 64 76.266 -4.519 3.180 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.415 -3.278 2.893 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.588 -4.083 3.818 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.799 -2.768 4.198 1.00 0.32 C ATOM 0 H ILE A 64 74.439 -5.610 2.020 1.00 0.15 H new ATOM 0 HA ILE A 64 77.113 -4.649 1.174 1.00 0.16 H new ATOM 0 HB ILE A 64 75.732 -5.182 3.861 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.029 -2.500 2.440 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.629 -3.521 2.178 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.385 -3.553 4.748 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.199 -4.962 4.027 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.122 -3.424 3.134 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.193 -1.885 3.994 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.171 -3.546 4.632 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.593 -2.509 4.898 1.00 0.32 H new ATOM 1026 N PRO A 65 78.664 -6.484 1.881 1.00 0.19 N ATOM 1027 CA PRO A 65 79.526 -7.685 2.092 1.00 0.23 C ATOM 1028 C PRO A 65 79.573 -8.068 3.576 1.00 0.26 C ATOM 1029 O PRO A 65 79.711 -7.225 4.444 1.00 0.23 O ATOM 1030 CB PRO A 65 80.894 -7.217 1.597 1.00 0.26 C ATOM 1031 CG PRO A 65 80.849 -5.743 1.794 1.00 0.24 C ATOM 1032 CD PRO A 65 79.460 -5.339 1.402 1.00 0.21 C ATOM 0 HA PRO A 65 79.166 -8.574 1.573 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.704 -7.673 2.166 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.053 -7.477 0.551 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.059 -5.477 2.830 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.595 -5.240 1.178 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.157 -4.405 1.875 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.364 -5.197 0.326 1.00 0.21 H new ATOM 1040 N LYS A 66 79.472 -9.343 3.871 1.00 0.41 N ATOM 1041 CA LYS A 66 79.518 -9.811 5.298 1.00 0.51 C ATOM 1042 C LYS A 66 80.789 -9.310 5.992 1.00 0.44 C ATOM 1043 O LYS A 66 80.790 -9.028 7.177 1.00 0.42 O ATOM 1044 CB LYS A 66 79.521 -11.341 5.223 1.00 0.69 C ATOM 1045 CG LYS A 66 79.468 -11.924 6.637 1.00 0.96 C ATOM 1046 CD LYS A 66 78.055 -11.764 7.202 1.00 1.31 C ATOM 1047 CE LYS A 66 77.977 -12.427 8.579 1.00 1.89 C ATOM 1048 NZ LYS A 66 76.908 -11.684 9.303 1.00 2.62 N ATOM 0 H LYS A 66 79.359 -10.086 3.181 1.00 0.41 H new ATOM 0 HA LYS A 66 78.674 -9.431 5.873 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.666 -11.688 4.643 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.417 -11.688 4.709 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.746 -12.978 6.618 1.00 0.96 H new ATOM 0 HG3 LYS A 66 80.188 -11.416 7.279 1.00 0.96 H new ATOM 0 HD2 LYS A 66 77.801 -10.707 7.281 1.00 1.31 H new ATOM 0 HD3 LYS A 66 77.329 -12.217 6.527 1.00 1.31 H new ATOM 0 HE2 LYS A 66 77.734 -13.486 8.494 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.930 -12.360 9.104 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 76.795 -12.081 10.258 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 77.170 -10.680 9.374 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 76.011 -11.771 8.783 1.00 2.62 H new ATOM 1062 N ALA A 67 81.872 -9.222 5.261 1.00 0.43 N ATOM 1063 CA ALA A 67 83.166 -8.768 5.870 1.00 0.40 C ATOM 1064 C ALA A 67 83.009 -7.367 6.467 1.00 0.30 C ATOM 1065 O ALA A 67 83.538 -7.070 7.526 1.00 0.28 O ATOM 1066 CB ALA A 67 84.172 -8.747 4.717 1.00 0.45 C ATOM 0 H ALA A 67 81.919 -9.445 4.267 1.00 0.43 H new ATOM 0 HA ALA A 67 83.489 -9.425 6.677 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.144 -8.423 5.088 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.260 -9.747 4.293 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.829 -8.055 3.947 1.00 0.45 H new ATOM 1072 N LEU A 68 82.270 -6.514 5.803 1.00 0.27 N ATOM 1073 CA LEU A 68 82.062 -5.131 6.328 1.00 0.23 C ATOM 1074 C LEU A 68 81.041 -5.134 7.466 1.00 0.22 C ATOM 1075 O LEU A 68 81.162 -4.367 8.404 1.00 0.22 O ATOM 1076 CB LEU A 68 81.556 -4.301 5.141 1.00 0.28 C ATOM 1077 CG LEU A 68 82.676 -4.115 4.105 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.152 -3.286 2.931 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.863 -3.377 4.740 1.00 1.82 C ATOM 0 H LEU A 68 81.802 -6.716 4.920 1.00 0.27 H new ATOM 0 HA LEU A 68 82.983 -4.716 6.737 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.703 -4.797 4.679 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.209 -3.329 5.490 1.00 0.28 H new ATOM 0 HG LEU A 68 83.000 -5.096 3.757 1.00 0.99 H new ATOM 0 HD11 LEU A 68 82.946 -3.154 2.196 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.311 -3.802 2.468 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.825 -2.311 3.292 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.651 -3.250 3.998 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.536 -2.399 5.094 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.245 -3.957 5.580 1.00 1.82 H new ATOM 1091 N ARG A 69 80.059 -6.013 7.423 1.00 0.25 N ATOM 1092 CA ARG A 69 79.060 -6.076 8.544 1.00 0.28 C ATOM 1093 C ARG A 69 79.778 -6.351 9.867 1.00 0.25 C ATOM 1094 O ARG A 69 79.454 -5.781 10.893 1.00 0.26 O ATOM 1095 CB ARG A 69 78.146 -7.270 8.245 1.00 0.35 C ATOM 1096 CG ARG A 69 77.482 -7.154 6.872 1.00 0.46 C ATOM 1097 CD ARG A 69 76.388 -8.226 6.782 1.00 0.56 C ATOM 1098 NE ARG A 69 76.292 -8.601 5.335 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.818 -9.779 4.955 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.372 -10.667 5.817 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.778 -10.063 3.683 1.00 2.30 N ATOM 0 H ARG A 69 79.908 -6.682 6.668 1.00 0.25 H new ATOM 0 HA ARG A 69 78.510 -5.138 8.622 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.727 -8.191 8.290 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.377 -7.340 9.015 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.054 -6.161 6.739 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.218 -7.293 6.080 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.640 -9.093 7.393 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.436 -7.843 7.149 1.00 0.56 H new ATOM 0 HE ARG A 69 76.598 -7.935 4.626 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.384 -10.459 6.816 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.014 -11.563 5.487 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.108 -9.383 2.998 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.416 -10.965 3.373 1.00 2.30 H new ATOM 1115 N ASP A 70 80.690 -7.292 9.853 1.00 0.25 N ATOM 1116 CA ASP A 70 81.374 -7.706 11.116 1.00 0.25 C ATOM 1117 C ASP A 70 82.309 -6.601 11.602 1.00 0.22 C ATOM 1118 O ASP A 70 82.309 -6.252 12.768 1.00 0.22 O ATOM 1119 CB ASP A 70 82.174 -8.962 10.755 1.00 0.27 C ATOM 1120 CG ASP A 70 82.748 -9.598 12.027 1.00 0.91 C ATOM 1121 OD1 ASP A 70 82.131 -9.459 13.071 1.00 1.56 O ATOM 1122 OD2 ASP A 70 83.794 -10.219 11.932 1.00 1.68 O ATOM 0 H ASP A 70 80.991 -7.793 9.017 1.00 0.25 H new ATOM 0 HA ASP A 70 80.661 -7.897 11.918 1.00 0.25 H new ATOM 0 HB2 ASP A 70 81.533 -9.676 10.238 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.982 -8.705 10.070 1.00 0.27 H new ATOM 1127 N VAL A 71 83.114 -6.058 10.721 1.00 0.21 N ATOM 1128 CA VAL A 71 84.087 -4.994 11.141 1.00 0.21 C ATOM 1129 C VAL A 71 83.327 -3.789 11.712 1.00 0.21 C ATOM 1130 O VAL A 71 83.789 -3.134 12.629 1.00 0.22 O ATOM 1131 CB VAL A 71 84.841 -4.616 9.853 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.794 -3.446 10.115 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.647 -5.822 9.367 1.00 0.28 C ATOM 0 H VAL A 71 83.141 -6.303 9.731 1.00 0.21 H new ATOM 0 HA VAL A 71 84.771 -5.331 11.920 1.00 0.21 H new ATOM 0 HB VAL A 71 84.116 -4.319 9.095 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.319 -3.191 9.194 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.224 -2.583 10.458 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.518 -3.730 10.879 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.182 -5.558 8.455 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.362 -6.115 10.136 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.972 -6.653 9.164 1.00 0.28 H new ATOM 1143 N ILE A 72 82.207 -3.463 11.130 1.00 0.21 N ATOM 1144 CA ILE A 72 81.440 -2.258 11.575 1.00 0.22 C ATOM 1145 C ILE A 72 80.568 -2.586 12.802 1.00 0.22 C ATOM 1146 O ILE A 72 80.187 -1.697 13.542 1.00 0.23 O ATOM 1147 CB ILE A 72 80.573 -1.867 10.369 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.476 -1.574 9.162 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.760 -0.608 10.697 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.618 -1.324 7.922 1.00 0.28 C ATOM 0 H ILE A 72 81.784 -3.981 10.360 1.00 0.21 H new ATOM 0 HA ILE A 72 82.098 -1.444 11.880 1.00 0.22 H new ATOM 0 HB ILE A 72 79.896 -2.690 10.138 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.100 -0.703 9.366 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.148 -2.414 8.987 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.147 -0.336 9.837 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.116 -0.804 11.554 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.438 0.212 10.933 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.264 -1.117 7.069 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.014 -2.207 7.714 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.964 -0.470 8.098 1.00 0.28 H new ATOM 1162 N GLY A 73 80.314 -3.852 13.072 1.00 0.21 N ATOM 1163 CA GLY A 73 79.544 -4.220 14.303 1.00 0.21 C ATOM 1164 C GLY A 73 78.055 -3.940 14.081 1.00 0.20 C ATOM 1165 O GLY A 73 77.374 -3.454 14.965 1.00 0.22 O ATOM 0 H GLY A 73 80.607 -4.639 12.493 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.695 -5.274 14.537 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.908 -3.648 15.157 1.00 0.21 H new ATOM 1169 N ILE A 74 77.575 -4.142 12.877 1.00 0.20 N ATOM 1170 CA ILE A 74 76.158 -3.774 12.552 1.00 0.21 C ATOM 1171 C ILE A 74 75.228 -4.979 12.738 1.00 0.21 C ATOM 1172 O ILE A 74 75.574 -6.098 12.409 1.00 0.23 O ATOM 1173 CB ILE A 74 76.177 -3.330 11.082 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.184 -2.181 10.876 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.778 -2.857 10.674 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.829 -0.983 11.768 1.00 0.77 C ATOM 0 H ILE A 74 78.103 -4.546 12.104 1.00 0.20 H new ATOM 0 HA ILE A 74 75.786 -2.987 13.208 1.00 0.21 H new ATOM 0 HB ILE A 74 76.478 -4.177 10.465 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.191 -2.527 11.107 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.185 -1.874 9.830 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.790 -2.542 9.631 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.067 -3.674 10.798 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.480 -2.018 11.303 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.552 -0.183 11.608 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.830 -0.626 11.517 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.852 -1.289 12.814 1.00 0.77 H new ATOM 1188 N LYS A 75 74.040 -4.744 13.243 1.00 0.22 N ATOM 1189 CA LYS A 75 73.058 -5.856 13.435 1.00 0.24 C ATOM 1190 C LYS A 75 71.674 -5.466 12.869 1.00 0.24 C ATOM 1191 O LYS A 75 71.398 -4.297 12.674 1.00 0.23 O ATOM 1192 CB LYS A 75 72.992 -6.080 14.954 1.00 0.29 C ATOM 1193 CG LYS A 75 72.479 -4.816 15.665 1.00 1.19 C ATOM 1194 CD LYS A 75 73.391 -4.474 16.851 1.00 1.71 C ATOM 1195 CE LYS A 75 72.547 -3.968 18.024 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.427 -4.106 19.218 1.00 3.21 N ATOM 0 H LYS A 75 73.708 -3.824 13.532 1.00 0.22 H new ATOM 0 HA LYS A 75 73.359 -6.762 12.909 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.334 -6.921 15.175 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.981 -6.341 15.332 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.451 -3.981 14.965 1.00 1.19 H new ATOM 0 HG3 LYS A 75 71.459 -4.974 16.014 1.00 1.19 H new ATOM 0 HD2 LYS A 75 73.958 -5.355 17.152 1.00 1.71 H new ATOM 0 HD3 LYS A 75 74.115 -3.714 16.558 1.00 1.71 H new ATOM 0 HE2 LYS A 75 72.244 -2.932 17.874 1.00 2.52 H new ATOM 0 HE3 LYS A 75 71.635 -4.554 18.136 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 72.918 -3.779 20.064 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 73.694 -5.104 19.339 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 74.284 -3.532 19.086 1.00 3.21 H new ATOM 1210 N PRO A 76 70.823 -6.456 12.644 1.00 0.25 N ATOM 1211 CA PRO A 76 69.454 -6.177 12.123 1.00 0.26 C ATOM 1212 C PRO A 76 68.725 -5.116 12.969 1.00 0.24 C ATOM 1213 O PRO A 76 68.677 -5.204 14.182 1.00 0.23 O ATOM 1214 CB PRO A 76 68.734 -7.519 12.229 1.00 0.29 C ATOM 1215 CG PRO A 76 69.808 -8.558 12.299 1.00 0.50 C ATOM 1216 CD PRO A 76 71.050 -7.901 12.837 1.00 0.28 C ATOM 0 HA PRO A 76 69.482 -5.781 11.108 1.00 0.26 H new ATOM 0 HB2 PRO A 76 68.100 -7.553 13.115 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.087 -7.684 11.367 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.501 -9.381 12.944 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.996 -8.980 11.312 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.201 -8.141 13.890 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.939 -8.237 12.303 1.00 0.28 H new ATOM 1224 N GLY A 77 68.073 -4.180 12.320 1.00 0.24 N ATOM 1225 CA GLY A 77 67.240 -3.178 13.056 1.00 0.24 C ATOM 1226 C GLY A 77 68.043 -1.903 13.373 1.00 0.22 C ATOM 1227 O GLY A 77 67.507 -0.966 13.937 1.00 0.24 O ATOM 0 H GLY A 77 68.083 -4.067 11.306 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.366 -2.920 12.458 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.873 -3.618 13.983 1.00 0.24 H new ATOM 1231 N GLU A 78 69.313 -1.849 13.020 1.00 0.20 N ATOM 1232 CA GLU A 78 70.126 -0.621 13.307 1.00 0.20 C ATOM 1233 C GLU A 78 70.172 0.292 12.084 1.00 0.18 C ATOM 1234 O GLU A 78 70.334 -0.167 10.967 1.00 0.18 O ATOM 1235 CB GLU A 78 71.520 -1.127 13.668 1.00 0.20 C ATOM 1236 CG GLU A 78 71.608 -1.310 15.187 1.00 0.22 C ATOM 1237 CD GLU A 78 73.047 -1.646 15.601 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.774 -2.182 14.779 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.398 -1.358 16.732 1.00 1.11 O ATOM 0 H GLU A 78 69.816 -2.600 12.548 1.00 0.20 H new ATOM 0 HA GLU A 78 69.696 -0.030 14.116 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.720 -2.072 13.163 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.277 -0.419 13.330 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.281 -0.399 15.689 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.936 -2.108 15.504 1.00 0.22 H new ATOM 1246 N VAL A 79 69.910 1.561 12.280 1.00 0.19 N ATOM 1247 CA VAL A 79 69.785 2.496 11.119 1.00 0.18 C ATOM 1248 C VAL A 79 71.129 3.164 10.796 1.00 0.18 C ATOM 1249 O VAL A 79 71.799 3.698 11.659 1.00 0.19 O ATOM 1250 CB VAL A 79 68.744 3.536 11.562 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.241 4.303 12.801 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.485 4.517 10.411 1.00 0.21 C ATOM 0 H VAL A 79 69.777 1.990 13.196 1.00 0.19 H new ATOM 0 HA VAL A 79 69.485 1.977 10.209 1.00 0.18 H new ATOM 0 HB VAL A 79 67.818 3.023 11.822 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.491 5.035 13.101 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.411 3.602 13.619 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.173 4.815 12.562 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.747 5.256 10.722 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.414 5.021 10.147 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.109 3.971 9.545 1.00 0.21 H new ATOM 1262 N ILE A 80 71.484 3.176 9.539 1.00 0.17 N ATOM 1263 CA ILE A 80 72.738 3.850 9.096 1.00 0.17 C ATOM 1264 C ILE A 80 72.416 4.879 8.005 1.00 0.17 C ATOM 1265 O ILE A 80 71.431 4.756 7.300 1.00 0.17 O ATOM 1266 CB ILE A 80 73.635 2.727 8.550 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.941 2.030 7.375 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.911 1.710 9.658 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.893 1.013 6.743 1.00 0.18 C ATOM 0 H ILE A 80 70.948 2.740 8.788 1.00 0.17 H new ATOM 0 HA ILE A 80 73.230 4.389 9.906 1.00 0.17 H new ATOM 0 HB ILE A 80 74.576 3.155 8.206 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.036 1.530 7.720 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.635 2.767 6.632 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.547 0.914 9.271 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.414 2.205 10.489 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.969 1.286 10.005 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.396 0.519 5.908 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.785 1.525 6.383 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.177 0.269 7.487 1.00 0.18 H new ATOM 1281 N GLU A 81 73.294 5.821 7.804 1.00 0.18 N ATOM 1282 CA GLU A 81 73.123 6.797 6.690 1.00 0.18 C ATOM 1283 C GLU A 81 73.960 6.339 5.499 1.00 0.17 C ATOM 1284 O GLU A 81 75.078 5.882 5.661 1.00 0.19 O ATOM 1285 CB GLU A 81 73.647 8.122 7.244 1.00 0.20 C ATOM 1286 CG GLU A 81 73.483 9.221 6.194 1.00 0.21 C ATOM 1287 CD GLU A 81 74.093 10.521 6.721 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.295 10.549 6.925 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.347 11.468 6.911 1.00 1.14 O ATOM 0 H GLU A 81 74.132 5.958 8.369 1.00 0.18 H new ATOM 0 HA GLU A 81 72.091 6.887 6.352 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.104 8.388 8.151 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.697 8.022 7.519 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.971 8.927 5.265 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.427 9.368 5.967 1.00 0.21 H new ATOM 1296 N VAL A 82 73.363 6.304 4.336 1.00 0.16 N ATOM 1297 CA VAL A 82 74.040 5.695 3.157 1.00 0.17 C ATOM 1298 C VAL A 82 74.327 6.766 2.100 1.00 0.16 C ATOM 1299 O VAL A 82 73.455 7.525 1.718 1.00 0.17 O ATOM 1300 CB VAL A 82 73.047 4.650 2.633 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.616 3.967 1.389 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.806 3.593 3.713 1.00 0.19 C ATOM 0 H VAL A 82 72.430 6.674 4.153 1.00 0.16 H new ATOM 0 HA VAL A 82 75.001 5.247 3.409 1.00 0.17 H new ATOM 0 HB VAL A 82 72.110 5.146 2.379 1.00 0.18 H new ATOM 0 HG11 VAL A 82 72.905 3.226 1.023 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.794 4.713 0.614 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.555 3.474 1.642 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.100 2.849 3.343 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.749 3.106 3.963 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.397 4.070 4.604 1.00 0.19 H new ATOM 1312 N LEU A 83 75.546 6.818 1.639 1.00 0.16 N ATOM 1313 CA LEU A 83 75.933 7.828 0.606 1.00 0.17 C ATOM 1314 C LEU A 83 76.385 7.100 -0.662 1.00 0.15 C ATOM 1315 O LEU A 83 77.318 6.321 -0.616 1.00 0.12 O ATOM 1316 CB LEU A 83 77.138 8.593 1.193 1.00 0.21 C ATOM 1317 CG LEU A 83 76.861 9.071 2.625 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.094 9.799 3.160 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.662 10.016 2.627 1.00 0.20 C ATOM 0 H LEU A 83 76.300 6.199 1.935 1.00 0.16 H new ATOM 0 HA LEU A 83 75.104 8.492 0.360 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.017 7.948 1.188 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.368 9.451 0.561 1.00 0.21 H new ATOM 0 HG LEU A 83 76.640 8.214 3.261 1.00 0.20 H new ATOM 0 HD11 LEU A 83 77.902 10.141 4.177 1.00 0.25 H new ATOM 0 HD12 LEU A 83 78.946 9.119 3.160 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.314 10.657 2.525 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.467 10.354 3.645 1.00 0.20 H new ATOM 0 HD22 LEU A 83 75.876 10.877 1.993 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.786 9.493 2.244 1.00 0.20 H new ATOM 1331 N LEU A 84 75.846 7.451 -1.805 1.00 0.16 N ATOM 1332 CA LEU A 84 76.382 6.889 -3.086 1.00 0.15 C ATOM 1333 C LEU A 84 77.647 7.644 -3.492 1.00 0.15 C ATOM 1334 O LEU A 84 77.758 8.836 -3.281 1.00 0.17 O ATOM 1335 CB LEU A 84 75.278 7.081 -4.119 1.00 0.18 C ATOM 1336 CG LEU A 84 74.315 5.893 -4.053 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.904 6.327 -4.491 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.833 4.789 -4.980 1.00 0.28 C ATOM 0 H LEU A 84 75.064 8.098 -1.907 1.00 0.16 H new ATOM 0 HA LEU A 84 76.651 5.837 -2.993 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.742 8.010 -3.927 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.708 7.161 -5.118 1.00 0.18 H new ATOM 0 HG LEU A 84 74.259 5.523 -3.029 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.228 5.473 -4.440 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.544 7.115 -3.829 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.940 6.701 -5.514 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.156 3.935 -4.943 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.886 5.166 -6.001 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.826 4.478 -4.656 1.00 0.28 H new ATOM 1350 N LEU A 85 78.630 6.939 -3.998 1.00 0.14 N ATOM 1351 CA LEU A 85 79.931 7.587 -4.331 1.00 0.17 C ATOM 1352 C LEU A 85 80.150 7.625 -5.846 1.00 0.18 C ATOM 1353 O LEU A 85 80.795 8.523 -6.358 1.00 0.24 O ATOM 1354 CB LEU A 85 80.990 6.719 -3.651 1.00 0.22 C ATOM 1355 CG LEU A 85 81.242 7.243 -2.236 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.936 6.161 -1.408 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.135 8.484 -2.303 1.00 1.60 C ATOM 0 H LEU A 85 78.584 5.939 -4.194 1.00 0.14 H new ATOM 0 HA LEU A 85 79.970 8.622 -3.991 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.657 5.682 -3.613 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.915 6.736 -4.227 1.00 0.22 H new ATOM 0 HG LEU A 85 80.291 7.504 -1.771 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.116 6.534 -0.400 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.301 5.276 -1.360 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.887 5.900 -1.873 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.315 8.858 -1.295 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.086 8.224 -2.768 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.641 9.256 -2.893 1.00 1.60 H new ATOM 1369 N GLY A 86 79.676 6.626 -6.558 1.00 0.16 N ATOM 1370 CA GLY A 86 79.930 6.578 -8.038 1.00 0.20 C ATOM 1371 C GLY A 86 79.067 5.504 -8.707 1.00 0.17 C ATOM 1372 O GLY A 86 78.184 4.938 -8.096 1.00 0.15 O ATOM 0 H GLY A 86 79.130 5.850 -6.184 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.714 7.551 -8.480 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.984 6.371 -8.223 1.00 0.20 H new ATOM 1376 N HIS A 87 79.294 5.259 -9.980 1.00 0.20 N ATOM 1377 CA HIS A 87 78.457 4.265 -10.728 1.00 0.19 C ATOM 1378 C HIS A 87 79.317 3.476 -11.729 1.00 0.19 C ATOM 1379 O HIS A 87 80.363 3.933 -12.153 1.00 0.24 O ATOM 1380 CB HIS A 87 77.399 5.102 -11.468 1.00 0.28 C ATOM 1381 CG HIS A 87 78.064 6.092 -12.396 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.231 5.839 -13.748 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.604 7.334 -12.177 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.849 6.906 -14.287 1.00 1.57 C ATOM 1385 NE2 HIS A 87 79.100 7.847 -13.372 1.00 1.89 N ATOM 0 H HIS A 87 80.025 5.707 -10.533 1.00 0.20 H new ATOM 0 HA HIS A 87 78.003 3.533 -10.060 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.740 4.446 -12.037 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.776 5.632 -10.747 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.639 7.837 -11.222 1.00 1.72 H new ATOM 0 HE1 HIS A 87 79.110 6.991 -15.331 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.557 8.747 -13.518 1.00 1.89 H new ATOM 1393 N TYR A 88 78.854 2.318 -12.142 1.00 0.16 N ATOM 1394 CA TYR A 88 79.605 1.516 -13.155 1.00 0.19 C ATOM 1395 C TYR A 88 78.632 0.840 -14.126 1.00 0.21 C ATOM 1396 O TYR A 88 77.544 0.438 -13.751 1.00 0.17 O ATOM 1397 CB TYR A 88 80.372 0.470 -12.346 1.00 0.21 C ATOM 1398 CG TYR A 88 81.517 1.137 -11.622 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.782 1.299 -12.281 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.342 1.608 -10.278 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.872 1.934 -11.596 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.433 2.243 -9.593 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.697 2.405 -10.252 1.00 0.65 C ATOM 1404 OH TYR A 88 84.745 3.015 -9.593 1.00 0.80 O ATOM 0 H TYR A 88 77.984 1.895 -11.818 1.00 0.16 H new ATOM 0 HA TYR A 88 80.272 2.134 -13.756 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.706 -0.012 -11.630 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.750 -0.311 -13.006 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.914 0.943 -13.292 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.391 1.485 -9.782 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.823 2.057 -12.092 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.302 2.599 -8.582 1.00 0.70 H new ATOM 0 HH TYR A 88 84.440 3.332 -8.717 1.00 0.80 H new ATOM 1414 N LYS A 89 79.037 0.677 -15.362 1.00 0.29 N ATOM 1415 CA LYS A 89 78.168 -0.012 -16.365 1.00 0.33 C ATOM 1416 C LYS A 89 78.874 -1.270 -16.904 1.00 0.52 C ATOM 1417 O LYS A 89 80.079 -1.384 -16.793 1.00 0.94 O ATOM 1418 CB LYS A 89 77.949 1.013 -17.487 1.00 0.48 C ATOM 1419 CG LYS A 89 79.295 1.450 -18.079 1.00 1.38 C ATOM 1420 CD LYS A 89 79.069 2.055 -19.467 1.00 1.82 C ATOM 1421 CE LYS A 89 78.799 0.935 -20.474 1.00 2.32 C ATOM 1422 NZ LYS A 89 77.758 1.483 -21.387 1.00 2.99 N ATOM 0 H LYS A 89 79.938 0.994 -15.721 1.00 0.29 H new ATOM 0 HA LYS A 89 77.223 -0.340 -15.933 1.00 0.33 H new ATOM 0 HB2 LYS A 89 77.324 0.580 -18.268 1.00 0.48 H new ATOM 0 HB3 LYS A 89 77.416 1.881 -17.097 1.00 0.48 H new ATOM 0 HG2 LYS A 89 79.772 2.180 -17.425 1.00 1.38 H new ATOM 0 HG3 LYS A 89 79.969 0.596 -18.148 1.00 1.38 H new ATOM 0 HD2 LYS A 89 78.227 2.746 -19.441 1.00 1.82 H new ATOM 0 HD3 LYS A 89 79.944 2.630 -19.772 1.00 1.82 H new ATOM 0 HE2 LYS A 89 79.704 0.669 -21.021 1.00 2.32 H new ATOM 0 HE3 LYS A 89 78.451 0.031 -19.975 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 77.519 0.772 -22.107 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 76.906 1.721 -20.839 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 78.121 2.339 -21.853 1.00 2.99 H new ATOM 1436 N PRO A 90 78.109 -2.190 -17.469 1.00 0.71 N ATOM 1437 CA PRO A 90 78.704 -3.451 -18.017 1.00 0.93 C ATOM 1438 C PRO A 90 79.820 -3.141 -19.023 1.00 0.85 C ATOM 1439 O PRO A 90 79.738 -2.189 -19.778 1.00 1.30 O ATOM 1440 CB PRO A 90 77.516 -4.112 -18.712 1.00 1.39 C ATOM 1441 CG PRO A 90 76.339 -3.612 -17.949 1.00 1.68 C ATOM 1442 CD PRO A 90 76.642 -2.172 -17.660 1.00 1.19 C ATOM 0 HA PRO A 90 79.163 -4.078 -17.253 1.00 0.93 H new ATOM 0 HB2 PRO A 90 77.460 -3.831 -19.764 1.00 1.39 H new ATOM 0 HB3 PRO A 90 77.585 -5.199 -18.675 1.00 1.39 H new ATOM 0 HG2 PRO A 90 75.422 -3.713 -18.529 1.00 1.68 H new ATOM 0 HG3 PRO A 90 76.197 -4.177 -17.028 1.00 1.68 H new ATOM 0 HD2 PRO A 90 76.347 -1.521 -18.483 1.00 1.19 H new ATOM 0 HD3 PRO A 90 76.121 -1.817 -16.771 1.00 1.19 H new ATOM 1450 N ARG A 91 80.865 -3.933 -19.023 1.00 1.61 N ATOM 1451 CA ARG A 91 82.001 -3.691 -19.963 1.00 1.99 C ATOM 1452 C ARG A 91 82.319 -4.966 -20.750 1.00 2.65 C ATOM 1453 O ARG A 91 82.273 -6.060 -20.220 1.00 3.38 O ATOM 1454 CB ARG A 91 83.179 -3.306 -19.068 1.00 3.06 C ATOM 1455 CG ARG A 91 84.370 -2.894 -19.937 1.00 3.64 C ATOM 1456 CD ARG A 91 84.089 -1.533 -20.577 1.00 4.74 C ATOM 1457 NE ARG A 91 85.279 -1.259 -21.442 1.00 5.48 N ATOM 1458 CZ ARG A 91 86.424 -0.829 -20.937 1.00 6.33 C ATOM 1459 NH1 ARG A 91 86.582 -0.621 -19.647 1.00 6.87 N ATOM 1460 NH2 ARG A 91 87.426 -0.606 -21.742 1.00 6.83 N ATOM 0 H ARG A 91 80.979 -4.740 -18.409 1.00 1.61 H new ATOM 0 HA ARG A 91 81.773 -2.916 -20.695 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.895 -2.485 -18.409 1.00 3.06 H new ATOM 0 HB3 ARG A 91 83.454 -4.146 -18.430 1.00 3.06 H new ATOM 0 HG2 ARG A 91 85.275 -2.843 -19.332 1.00 3.64 H new ATOM 0 HG3 ARG A 91 84.545 -3.642 -20.710 1.00 3.64 H new ATOM 0 HD2 ARG A 91 83.171 -1.555 -21.164 1.00 4.74 H new ATOM 0 HD3 ARG A 91 83.965 -0.759 -19.820 1.00 4.74 H new ATOM 0 HE ARG A 91 85.205 -1.408 -22.448 1.00 5.48 H new ATOM 0 HH11 ARG A 91 85.808 -0.792 -19.004 1.00 6.87 H new ATOM 0 HH12 ARG A 91 87.478 -0.289 -19.290 1.00 6.87 H new ATOM 0 HH21 ARG A 91 87.320 -0.763 -22.744 1.00 6.83 H new ATOM 0 HH22 ARG A 91 88.316 -0.274 -21.369 1.00 6.83 H new ATOM 1474 N ASN A 92 82.644 -4.832 -22.017 1.00 3.10 N ATOM 1475 CA ASN A 92 82.972 -6.028 -22.866 1.00 4.24 C ATOM 1476 C ASN A 92 81.855 -7.079 -22.791 1.00 4.85 C ATOM 1477 O ASN A 92 80.982 -7.049 -23.642 1.00 5.20 O ATOM 1478 CB ASN A 92 84.279 -6.592 -22.296 1.00 4.82 C ATOM 1479 CG ASN A 92 84.889 -7.575 -23.296 1.00 5.68 C ATOM 1480 OD1 ASN A 92 85.236 -7.202 -24.399 1.00 5.95 O ATOM 1481 ND2 ASN A 92 85.037 -8.826 -22.954 1.00 6.47 N ATOM 1482 OXT ASN A 92 81.896 -7.894 -21.884 1.00 5.35 O ATOM 0 H ASN A 92 82.697 -3.937 -22.504 1.00 3.10 H new ATOM 0 HA ASN A 92 83.071 -5.755 -23.916 1.00 4.24 H new ATOM 0 HB2 ASN A 92 84.979 -5.782 -22.093 1.00 4.82 H new ATOM 0 HB3 ASN A 92 84.088 -7.093 -21.347 1.00 4.82 H new ATOM 0 HD21 ASN A 92 85.444 -9.490 -23.613 1.00 6.47 H new ATOM 0 HD22 ASN A 92 84.746 -9.139 -22.028 1.00 6.47 H new TER 1489 ASN A 92