USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 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 82 MET CE :methyl 154:sc= -2.96! (180deg=-3.06!) USER MOD Set 1.2: A 84 THR OG1 : rot 41:sc= -1.79! USER MOD Set 2.1: A 76 LYS NZ :NH3+ -131:sc= -0.359 (180deg=-0.809) USER MOD Set 2.2: A 77 TYR OH : rot -160:sc= 0.666 USER MOD Set 3.1: A 53 TYR OH : rot -137:sc= 0.873 USER MOD Set 3.2: A 106 GLN : amide:sc= -4.22! C(o=-3.4!,f=-10!) USER MOD Single : A 11 CYS SG : rot 110:sc= -5.28! USER MOD Single : A 12 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.6) USER MOD Single : A 13 ASN : amide:sc= -8.69! C(o=-8.7!,f=-8.6!) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= 0.183 (180deg=0.0325) USER MOD Single : A 20 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.7!) USER MOD Single : A 21 MET CE :methyl -163:sc= -4.45! (180deg=-6.35!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0276 (180deg=-0.0276) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= 1.12 (180deg=-0.956) USER MOD Single : A 78 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.02) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 108 THR OG1 : rot 79:sc= -1.42 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -8.83! F(o=-11,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.902 7.573 -6.753 1.00 22.41 N ATOM 54 CA GLU A 5 1.899 7.516 -7.809 1.00 55.22 C ATOM 55 C GLU A 5 1.578 8.914 -8.330 1.00 53.21 C ATOM 56 O GLU A 5 2.439 9.793 -8.354 1.00 32.54 O ATOM 57 CB GLU A 5 0.622 6.846 -7.295 1.00 45.14 C ATOM 58 CG GLU A 5 0.870 5.828 -6.195 1.00 63.12 C ATOM 59 CD GLU A 5 1.505 4.552 -6.713 1.00 74.24 C ATOM 60 OE1 GLU A 5 0.837 3.824 -7.477 1.00 55.11 O ATOM 61 OE2 GLU A 5 2.670 4.281 -6.355 1.00 0.32 O ATOM 0 HA GLU A 5 2.306 6.925 -8.630 1.00 55.22 H new ATOM 0 HB2 GLU A 5 -0.056 7.614 -6.922 1.00 45.14 H new ATOM 0 HB3 GLU A 5 0.119 6.354 -8.128 1.00 45.14 H new ATOM 0 HG2 GLU A 5 1.516 6.269 -5.436 1.00 63.12 H new ATOM 0 HG3 GLU A 5 -0.075 5.587 -5.708 1.00 63.12 H new ATOM 68 N GLY A 6 0.331 9.112 -8.748 1.00 10.10 N ATOM 69 CA GLY A 6 -0.082 10.404 -9.264 1.00 12.13 C ATOM 70 C GLY A 6 -0.404 11.393 -8.161 1.00 34.43 C ATOM 71 O GLY A 6 -1.135 12.359 -8.377 1.00 54.22 O ATOM 0 H GLY A 6 -0.400 8.401 -8.738 1.00 10.10 H new ATOM 0 HA2 GLY A 6 0.710 10.811 -9.893 1.00 12.13 H new ATOM 0 HA3 GLY A 6 -0.958 10.275 -9.899 1.00 12.13 H new ATOM 75 N VAL A 7 0.141 11.150 -6.973 1.00 12.02 N ATOM 76 CA VAL A 7 -0.093 12.026 -5.831 1.00 51.00 C ATOM 77 C VAL A 7 1.159 12.823 -5.484 1.00 44.24 C ATOM 78 O VAL A 7 2.213 12.641 -6.094 1.00 40.14 O ATOM 79 CB VAL A 7 -0.539 11.227 -4.592 1.00 63.42 C ATOM 80 CG1 VAL A 7 -1.388 10.034 -5.003 1.00 74.25 C ATOM 81 CG2 VAL A 7 0.670 10.778 -3.785 1.00 62.53 C ATOM 0 H VAL A 7 0.748 10.354 -6.776 1.00 12.02 H new ATOM 0 HA VAL A 7 -0.890 12.713 -6.117 1.00 51.00 H new ATOM 0 HB VAL A 7 -1.148 11.876 -3.962 1.00 63.42 H new ATOM 0 HG11 VAL A 7 -1.694 9.482 -4.114 1.00 74.25 H new ATOM 0 HG12 VAL A 7 -2.273 10.383 -5.535 1.00 74.25 H new ATOM 0 HG13 VAL A 7 -0.807 9.381 -5.654 1.00 74.25 H new ATOM 0 HG21 VAL A 7 0.337 10.215 -2.913 1.00 62.53 H new ATOM 0 HG22 VAL A 7 1.306 10.145 -4.404 1.00 62.53 H new ATOM 0 HG23 VAL A 7 1.234 11.652 -3.459 1.00 62.53 H new ATOM 91 N VAL A 8 1.037 13.708 -4.500 1.00 24.02 N ATOM 92 CA VAL A 8 2.160 14.533 -4.070 1.00 22.21 C ATOM 93 C VAL A 8 3.396 13.682 -3.801 1.00 21.31 C ATOM 94 O VAL A 8 3.551 13.120 -2.716 1.00 3.30 O ATOM 95 CB VAL A 8 1.815 15.333 -2.800 1.00 31.22 C ATOM 96 CG1 VAL A 8 0.640 16.263 -3.058 1.00 14.33 C ATOM 97 CG2 VAL A 8 1.517 14.392 -1.642 1.00 75.35 C ATOM 0 H VAL A 8 0.172 13.872 -3.985 1.00 24.02 H new ATOM 0 HA VAL A 8 2.371 15.228 -4.882 1.00 22.21 H new ATOM 0 HB VAL A 8 2.677 15.942 -2.530 1.00 31.22 H new ATOM 0 HG11 VAL A 8 0.411 16.820 -2.150 1.00 14.33 H new ATOM 0 HG12 VAL A 8 0.896 16.960 -3.856 1.00 14.33 H new ATOM 0 HG13 VAL A 8 -0.230 15.677 -3.354 1.00 14.33 H new ATOM 0 HG21 VAL A 8 1.275 14.974 -0.753 1.00 75.35 H new ATOM 0 HG22 VAL A 8 0.671 13.755 -1.899 1.00 75.35 H new ATOM 0 HG23 VAL A 8 2.391 13.772 -1.443 1.00 75.35 H new ATOM 107 N ILE A 9 4.273 13.591 -4.795 1.00 71.00 N ATOM 108 CA ILE A 9 5.496 12.810 -4.665 1.00 24.51 C ATOM 109 C ILE A 9 6.142 13.023 -3.300 1.00 63.31 C ATOM 110 O ILE A 9 5.781 13.943 -2.568 1.00 13.31 O ATOM 111 CB ILE A 9 6.514 13.169 -5.764 1.00 11.33 C ATOM 112 CG1 ILE A 9 5.858 13.087 -7.143 1.00 53.15 C ATOM 113 CG2 ILE A 9 7.722 12.247 -5.690 1.00 13.24 C ATOM 114 CD1 ILE A 9 5.180 11.762 -7.412 1.00 34.20 C ATOM 0 H ILE A 9 4.159 14.049 -5.699 1.00 71.00 H new ATOM 0 HA ILE A 9 5.214 11.763 -4.771 1.00 24.51 H new ATOM 0 HB ILE A 9 6.853 14.192 -5.604 1.00 11.33 H new ATOM 0 HG12 ILE A 9 5.123 13.887 -7.235 1.00 53.15 H new ATOM 0 HG13 ILE A 9 6.615 13.260 -7.908 1.00 53.15 H new ATOM 0 HG21 ILE A 9 8.432 12.514 -6.473 1.00 13.24 H new ATOM 0 HG22 ILE A 9 8.200 12.351 -4.716 1.00 13.24 H new ATOM 0 HG23 ILE A 9 7.401 11.215 -5.828 1.00 13.24 H new ATOM 0 HD11 ILE A 9 4.737 11.776 -8.408 1.00 34.20 H new ATOM 0 HD12 ILE A 9 5.914 10.959 -7.353 1.00 34.20 H new ATOM 0 HD13 ILE A 9 4.399 11.595 -6.670 1.00 34.20 H new ATOM 126 N ALA A 10 7.102 12.166 -2.965 1.00 53.13 N ATOM 127 CA ALA A 10 7.801 12.263 -1.690 1.00 63.12 C ATOM 128 C ALA A 10 9.259 11.836 -1.830 1.00 34.22 C ATOM 129 O ALA A 10 9.638 10.743 -1.407 1.00 62.03 O ATOM 130 CB ALA A 10 7.100 11.417 -0.638 1.00 31.11 C ATOM 0 H ALA A 10 7.413 11.397 -3.559 1.00 53.13 H new ATOM 0 HA ALA A 10 7.784 13.306 -1.372 1.00 63.12 H new ATOM 0 HB1 ALA A 10 7.633 11.499 0.309 1.00 31.11 H new ATOM 0 HB2 ALA A 10 6.077 11.770 -0.510 1.00 31.11 H new ATOM 0 HB3 ALA A 10 7.087 10.375 -0.958 1.00 31.11 H new ATOM 136 N CYS A 11 10.070 12.703 -2.425 1.00 12.00 N ATOM 137 CA CYS A 11 11.486 12.414 -2.622 1.00 0.54 C ATOM 138 C CYS A 11 12.258 12.564 -1.315 1.00 11.13 C ATOM 139 O CYS A 11 11.666 12.685 -0.242 1.00 34.12 O ATOM 140 CB CYS A 11 12.074 13.343 -3.685 1.00 2.23 C ATOM 141 SG CYS A 11 12.282 15.054 -3.137 1.00 73.03 S ATOM 0 H CYS A 11 9.772 13.612 -2.779 1.00 12.00 H new ATOM 0 HA CYS A 11 11.578 11.382 -2.961 1.00 0.54 H new ATOM 0 HB2 CYS A 11 13.042 12.953 -3.998 1.00 2.23 H new ATOM 0 HB3 CYS A 11 11.427 13.330 -4.562 1.00 2.23 H new ATOM 0 HG CYS A 11 13.549 15.318 -3.009 1.00 73.03 H new ATOM 147 N HIS A 12 13.584 12.554 -1.412 1.00 34.31 N ATOM 148 CA HIS A 12 14.437 12.687 -0.237 1.00 4.31 C ATOM 149 C HIS A 12 15.907 12.523 -0.612 1.00 2.42 C ATOM 150 O HIS A 12 16.714 12.056 0.191 1.00 51.22 O ATOM 151 CB HIS A 12 14.051 11.653 0.821 1.00 55.31 C ATOM 152 CG HIS A 12 13.666 10.324 0.247 1.00 1.41 C ATOM 153 ND1 HIS A 12 12.729 9.496 0.828 1.00 10.41 N ATOM 154 CD2 HIS A 12 14.097 9.682 -0.864 1.00 32.44 C ATOM 155 CE1 HIS A 12 12.601 8.401 0.101 1.00 42.03 C ATOM 156 NE2 HIS A 12 13.420 8.489 -0.932 1.00 30.31 N ATOM 0 H HIS A 12 14.090 12.455 -2.292 1.00 34.31 H new ATOM 0 HA HIS A 12 14.293 13.686 0.174 1.00 4.31 H new ATOM 0 HB2 HIS A 12 14.888 11.515 1.505 1.00 55.31 H new ATOM 0 HB3 HIS A 12 13.219 12.040 1.409 1.00 55.31 H new ATOM 0 HD2 HIS A 12 14.835 10.041 -1.566 1.00 32.44 H new ATOM 0 HE1 HIS A 12 11.940 7.574 0.314 1.00 42.03 H new ATOM 0 HE2 HIS A 12 13.531 7.785 -1.662 1.00 30.31 H new ATOM 164 N ASN A 13 16.247 12.911 -1.837 1.00 21.40 N ATOM 165 CA ASN A 13 17.620 12.805 -2.319 1.00 13.24 C ATOM 166 C ASN A 13 17.813 13.621 -3.594 1.00 30.45 C ATOM 167 O ASN A 13 18.741 13.377 -4.365 1.00 51.12 O ATOM 168 CB ASN A 13 17.981 11.341 -2.577 1.00 35.11 C ATOM 169 CG ASN A 13 18.030 11.010 -4.056 1.00 34.30 C ATOM 170 OD1 ASN A 13 19.095 11.028 -4.673 1.00 30.15 O ATOM 171 ND2 ASN A 13 16.873 10.705 -4.633 1.00 13.14 N ATOM 0 H ASN A 13 15.591 13.301 -2.514 1.00 21.40 H new ATOM 0 HA ASN A 13 18.281 13.204 -1.550 1.00 13.24 H new ATOM 0 HB2 ASN A 13 18.949 11.124 -2.126 1.00 35.11 H new ATOM 0 HB3 ASN A 13 17.250 10.698 -2.087 1.00 35.11 H new ATOM 0 HD21 ASN A 13 16.844 10.473 -5.626 1.00 13.14 H new ATOM 0 HD22 ASN A 13 16.014 10.702 -4.083 1.00 13.14 H new ATOM 178 N LYS A 14 16.931 14.591 -3.808 1.00 74.43 N ATOM 179 CA LYS A 14 17.004 15.445 -4.988 1.00 35.51 C ATOM 180 C LYS A 14 16.712 14.648 -6.255 1.00 65.54 C ATOM 181 O LYS A 14 15.680 14.840 -6.898 1.00 32.14 O ATOM 182 CB LYS A 14 18.385 16.095 -5.087 1.00 63.35 C ATOM 183 CG LYS A 14 18.860 16.300 -6.516 1.00 34.42 C ATOM 184 CD LYS A 14 19.727 17.541 -6.643 1.00 15.02 C ATOM 185 CE LYS A 14 19.007 18.778 -6.128 1.00 41.32 C ATOM 186 NZ LYS A 14 19.463 20.014 -6.822 1.00 44.23 N ATOM 0 H LYS A 14 16.157 14.806 -3.180 1.00 74.43 H new ATOM 0 HA LYS A 14 16.249 16.225 -4.889 1.00 35.51 H new ATOM 0 HB2 LYS A 14 18.361 17.059 -4.579 1.00 63.35 H new ATOM 0 HB3 LYS A 14 19.108 15.474 -4.558 1.00 63.35 H new ATOM 0 HG2 LYS A 14 19.424 15.426 -6.842 1.00 34.42 H new ATOM 0 HG3 LYS A 14 17.998 16.388 -7.178 1.00 34.42 H new ATOM 0 HD2 LYS A 14 20.652 17.398 -6.085 1.00 15.02 H new ATOM 0 HD3 LYS A 14 20.004 17.688 -7.687 1.00 15.02 H new ATOM 0 HE2 LYS A 14 17.933 18.658 -6.268 1.00 41.32 H new ATOM 0 HE3 LYS A 14 19.179 18.879 -5.056 1.00 41.32 H new ATOM 0 HZ1 LYS A 14 18.726 20.744 -6.751 1.00 44.23 H new ATOM 0 HZ2 LYS A 14 20.337 20.360 -6.377 1.00 44.23 H new ATOM 0 HZ3 LYS A 14 19.645 19.803 -7.824 1.00 44.23 H new ATOM 200 N ASP A 15 17.628 13.752 -6.609 1.00 11.11 N ATOM 201 CA ASP A 15 17.468 12.924 -7.798 1.00 71.25 C ATOM 202 C ASP A 15 15.994 12.772 -8.161 1.00 11.40 C ATOM 203 O ASP A 15 15.613 12.919 -9.322 1.00 33.13 O ATOM 204 CB ASP A 15 18.095 11.547 -7.575 1.00 61.23 C ATOM 205 CG ASP A 15 18.890 11.072 -8.775 1.00 64.43 C ATOM 206 OD1 ASP A 15 19.618 11.895 -9.369 1.00 13.15 O ATOM 207 OD2 ASP A 15 18.785 9.876 -9.122 1.00 11.21 O ATOM 0 H ASP A 15 18.489 13.581 -6.089 1.00 11.11 H new ATOM 0 HA ASP A 15 17.978 13.418 -8.625 1.00 71.25 H new ATOM 0 HB2 ASP A 15 18.747 11.585 -6.703 1.00 61.23 H new ATOM 0 HB3 ASP A 15 17.309 10.825 -7.354 1.00 61.23 H new ATOM 212 N GLU A 16 15.171 12.477 -7.160 1.00 14.22 N ATOM 213 CA GLU A 16 13.739 12.304 -7.375 1.00 12.13 C ATOM 214 C GLU A 16 13.032 13.655 -7.443 1.00 34.43 C ATOM 215 O GLU A 16 12.183 13.881 -8.306 1.00 23.12 O ATOM 216 CB GLU A 16 13.132 11.454 -6.257 1.00 31.14 C ATOM 217 CG GLU A 16 14.167 10.830 -5.336 1.00 62.22 C ATOM 218 CD GLU A 16 13.639 9.611 -4.605 1.00 72.35 C ATOM 219 OE1 GLU A 16 12.901 9.788 -3.614 1.00 35.12 O ATOM 220 OE2 GLU A 16 13.963 8.480 -5.025 1.00 3.14 O ATOM 0 H GLU A 16 15.471 12.353 -6.193 1.00 14.22 H new ATOM 0 HA GLU A 16 13.600 11.792 -8.327 1.00 12.13 H new ATOM 0 HB2 GLU A 16 12.459 12.074 -5.665 1.00 31.14 H new ATOM 0 HB3 GLU A 16 12.529 10.662 -6.701 1.00 31.14 H new ATOM 0 HG2 GLU A 16 15.044 10.548 -5.919 1.00 62.22 H new ATOM 0 HG3 GLU A 16 14.494 11.572 -4.608 1.00 62.22 H new ATOM 227 N PHE A 17 13.387 14.549 -6.526 1.00 32.40 N ATOM 228 CA PHE A 17 12.786 15.877 -6.480 1.00 31.51 C ATOM 229 C PHE A 17 12.833 16.543 -7.852 1.00 33.50 C ATOM 230 O PHE A 17 11.866 17.173 -8.281 1.00 44.30 O ATOM 231 CB PHE A 17 13.507 16.750 -5.451 1.00 52.44 C ATOM 232 CG PHE A 17 14.091 18.005 -6.035 1.00 54.20 C ATOM 233 CD1 PHE A 17 15.238 17.956 -6.811 1.00 33.33 C ATOM 234 CD2 PHE A 17 13.492 19.234 -5.808 1.00 42.14 C ATOM 235 CE1 PHE A 17 15.777 19.109 -7.348 1.00 63.02 C ATOM 236 CE2 PHE A 17 14.027 20.391 -6.344 1.00 20.23 C ATOM 237 CZ PHE A 17 15.171 20.328 -7.115 1.00 74.24 C ATOM 0 H PHE A 17 14.088 14.378 -5.805 1.00 32.40 H new ATOM 0 HA PHE A 17 11.742 15.767 -6.185 1.00 31.51 H new ATOM 0 HB2 PHE A 17 12.807 17.018 -4.660 1.00 52.44 H new ATOM 0 HB3 PHE A 17 14.304 16.169 -4.988 1.00 52.44 H new ATOM 0 HD1 PHE A 17 15.716 17.006 -6.998 1.00 33.33 H new ATOM 0 HD2 PHE A 17 12.597 19.289 -5.206 1.00 42.14 H new ATOM 0 HE1 PHE A 17 16.672 19.057 -7.950 1.00 63.02 H new ATOM 0 HE2 PHE A 17 13.551 21.343 -6.160 1.00 20.23 H new ATOM 0 HZ PHE A 17 15.591 21.230 -7.535 1.00 74.24 H new ATOM 247 N ASP A 18 13.963 16.398 -8.535 1.00 21.13 N ATOM 248 CA ASP A 18 14.137 16.984 -9.858 1.00 42.54 C ATOM 249 C ASP A 18 13.176 16.355 -10.862 1.00 43.13 C ATOM 250 O ASP A 18 12.646 17.036 -11.740 1.00 22.13 O ATOM 251 CB ASP A 18 15.580 16.805 -10.333 1.00 50.43 C ATOM 252 CG ASP A 18 16.385 18.086 -10.234 1.00 24.12 C ATOM 253 OD1 ASP A 18 15.811 19.168 -10.476 1.00 62.21 O ATOM 254 OD2 ASP A 18 17.590 18.006 -9.914 1.00 43.04 O ATOM 0 H ASP A 18 14.772 15.879 -8.194 1.00 21.13 H new ATOM 0 HA ASP A 18 13.915 18.049 -9.788 1.00 42.54 H new ATOM 0 HB2 ASP A 18 16.062 16.030 -9.738 1.00 50.43 H new ATOM 0 HB3 ASP A 18 15.579 16.459 -11.367 1.00 50.43 H new ATOM 259 N ALA A 19 12.958 15.051 -10.727 1.00 52.22 N ATOM 260 CA ALA A 19 12.060 14.330 -11.621 1.00 44.34 C ATOM 261 C ALA A 19 10.710 15.031 -11.727 1.00 4.52 C ATOM 262 O ALA A 19 9.975 14.839 -12.695 1.00 24.11 O ATOM 263 CB ALA A 19 11.877 12.898 -11.143 1.00 63.40 C ATOM 0 H ALA A 19 13.391 14.472 -10.007 1.00 52.22 H new ATOM 0 HA ALA A 19 12.511 14.315 -12.613 1.00 44.34 H new ATOM 0 HB1 ALA A 19 11.204 12.372 -11.820 1.00 63.40 H new ATOM 0 HB2 ALA A 19 12.843 12.394 -11.127 1.00 63.40 H new ATOM 0 HB3 ALA A 19 11.452 12.901 -10.139 1.00 63.40 H new ATOM 269 N GLN A 20 10.391 15.844 -10.725 1.00 10.13 N ATOM 270 CA GLN A 20 9.128 16.572 -10.705 1.00 50.44 C ATOM 271 C GLN A 20 9.328 18.021 -11.140 1.00 71.51 C ATOM 272 O GLN A 20 8.627 18.516 -12.022 1.00 1.10 O ATOM 273 CB GLN A 20 8.511 16.528 -9.306 1.00 52.04 C ATOM 274 CG GLN A 20 7.527 15.386 -9.111 1.00 61.44 C ATOM 275 CD GLN A 20 7.945 14.125 -9.842 1.00 31.41 C ATOM 276 OE1 GLN A 20 7.376 13.775 -10.877 1.00 0.43 O ATOM 277 NE2 GLN A 20 8.944 13.433 -9.306 1.00 41.32 N ATOM 0 H GLN A 20 10.989 16.015 -9.917 1.00 10.13 H new ATOM 0 HA GLN A 20 8.449 16.090 -11.409 1.00 50.44 H new ATOM 0 HB2 GLN A 20 9.309 16.439 -8.569 1.00 52.04 H new ATOM 0 HB3 GLN A 20 8.002 17.472 -9.113 1.00 52.04 H new ATOM 0 HG2 GLN A 20 7.433 15.170 -8.047 1.00 61.44 H new ATOM 0 HG3 GLN A 20 6.543 15.696 -9.462 1.00 61.44 H new ATOM 0 HE21 GLN A 20 9.387 13.759 -8.447 1.00 41.32 H new ATOM 0 HE22 GLN A 20 9.268 12.575 -9.753 1.00 41.32 H new ATOM 286 N MET A 21 10.288 18.694 -10.515 1.00 23.41 N ATOM 287 CA MET A 21 10.580 20.085 -10.838 1.00 45.25 C ATOM 288 C MET A 21 10.778 20.264 -12.340 1.00 45.24 C ATOM 289 O MET A 21 10.715 21.380 -12.857 1.00 42.22 O ATOM 290 CB MET A 21 11.829 20.554 -10.088 1.00 54.33 C ATOM 291 CG MET A 21 11.605 21.810 -9.262 1.00 14.14 C ATOM 292 SD MET A 21 11.340 21.453 -7.514 1.00 51.31 S ATOM 293 CE MET A 21 9.893 20.401 -7.599 1.00 20.11 C ATOM 0 H MET A 21 10.877 18.299 -9.782 1.00 23.41 H new ATOM 0 HA MET A 21 9.729 20.691 -10.526 1.00 45.25 H new ATOM 0 HB2 MET A 21 12.171 19.754 -9.432 1.00 54.33 H new ATOM 0 HB3 MET A 21 12.627 20.739 -10.807 1.00 54.33 H new ATOM 0 HG2 MET A 21 12.467 22.468 -9.368 1.00 14.14 H new ATOM 0 HG3 MET A 21 10.742 22.349 -9.654 1.00 14.14 H new ATOM 0 HE1 MET A 21 9.428 20.342 -6.615 1.00 20.11 H new ATOM 0 HE2 MET A 21 9.182 20.817 -8.312 1.00 20.11 H new ATOM 0 HE3 MET A 21 10.188 19.402 -7.921 1.00 20.11 H new ATOM 303 N THR A 22 11.019 19.158 -13.037 1.00 72.22 N ATOM 304 CA THR A 22 11.227 19.193 -14.479 1.00 65.12 C ATOM 305 C THR A 22 9.974 18.753 -15.227 1.00 40.20 C ATOM 306 O THR A 22 9.800 19.064 -16.405 1.00 40.55 O ATOM 307 CB THR A 22 12.404 18.292 -14.899 1.00 23.14 C ATOM 308 OG1 THR A 22 13.590 19.079 -15.062 1.00 74.32 O ATOM 309 CG2 THR A 22 12.091 17.562 -16.196 1.00 22.31 C ATOM 0 H THR A 22 11.075 18.226 -12.626 1.00 72.22 H new ATOM 0 HA THR A 22 11.458 20.226 -14.739 1.00 65.12 H new ATOM 0 HB THR A 22 12.564 17.552 -14.114 1.00 23.14 H new ATOM 0 HG1 THR A 22 14.334 18.499 -15.327 1.00 74.32 H new ATOM 0 HG21 THR A 22 12.937 16.932 -16.472 1.00 22.31 H new ATOM 0 HG22 THR A 22 11.206 16.941 -16.060 1.00 22.31 H new ATOM 0 HG23 THR A 22 11.906 18.289 -16.987 1.00 22.31 H new ATOM 317 N LYS A 23 9.102 18.028 -14.535 1.00 53.11 N ATOM 318 CA LYS A 23 7.862 17.547 -15.133 1.00 31.44 C ATOM 319 C LYS A 23 6.786 18.628 -15.100 1.00 23.43 C ATOM 320 O LYS A 23 5.595 18.334 -15.199 1.00 3.34 O ATOM 321 CB LYS A 23 7.368 16.299 -14.397 1.00 64.51 C ATOM 322 CG LYS A 23 7.898 15.000 -14.980 1.00 21.20 C ATOM 323 CD LYS A 23 7.786 13.856 -13.986 1.00 72.12 C ATOM 324 CE LYS A 23 8.880 12.821 -14.201 1.00 51.32 C ATOM 325 NZ LYS A 23 8.324 11.507 -14.626 1.00 63.31 N ATOM 0 H LYS A 23 9.231 17.760 -13.559 1.00 53.11 H new ATOM 0 HA LYS A 23 8.065 17.293 -16.173 1.00 31.44 H new ATOM 0 HB2 LYS A 23 7.663 16.364 -13.350 1.00 64.51 H new ATOM 0 HB3 LYS A 23 6.278 16.281 -14.421 1.00 64.51 H new ATOM 0 HG2 LYS A 23 7.343 14.753 -15.885 1.00 21.20 H new ATOM 0 HG3 LYS A 23 8.940 15.129 -15.271 1.00 21.20 H new ATOM 0 HD2 LYS A 23 7.849 14.247 -12.971 1.00 72.12 H new ATOM 0 HD3 LYS A 23 6.810 13.381 -14.085 1.00 72.12 H new ATOM 0 HE2 LYS A 23 9.578 13.182 -14.957 1.00 51.32 H new ATOM 0 HE3 LYS A 23 9.447 12.694 -13.278 1.00 51.32 H new ATOM 0 HZ1 LYS A 23 9.101 10.829 -14.762 1.00 63.31 H new ATOM 0 HZ2 LYS A 23 7.678 11.150 -13.894 1.00 63.31 H new ATOM 0 HZ3 LYS A 23 7.805 11.622 -15.520 1.00 63.31 H new ATOM 339 N ALA A 24 7.215 19.878 -14.961 1.00 54.14 N ATOM 340 CA ALA A 24 6.288 21.003 -14.919 1.00 61.43 C ATOM 341 C ALA A 24 6.602 22.014 -16.016 1.00 42.04 C ATOM 342 O ALA A 24 5.699 22.552 -16.657 1.00 74.52 O ATOM 343 CB ALA A 24 6.332 21.672 -13.554 1.00 30.34 C ATOM 0 H ALA A 24 8.198 20.137 -14.876 1.00 54.14 H new ATOM 0 HA ALA A 24 5.282 20.620 -15.091 1.00 61.43 H new ATOM 0 HB1 ALA A 24 5.635 22.510 -13.537 1.00 30.34 H new ATOM 0 HB2 ALA A 24 6.051 20.951 -12.786 1.00 30.34 H new ATOM 0 HB3 ALA A 24 7.341 22.035 -13.359 1.00 30.34 H new ATOM 349 N LYS A 25 7.889 22.270 -16.228 1.00 13.11 N ATOM 350 CA LYS A 25 8.323 23.217 -17.248 1.00 62.11 C ATOM 351 C LYS A 25 8.024 22.685 -18.646 1.00 45.43 C ATOM 352 O LYS A 25 7.487 23.402 -19.490 1.00 61.10 O ATOM 353 CB LYS A 25 9.821 23.498 -17.107 1.00 51.31 C ATOM 354 CG LYS A 25 10.667 22.243 -16.987 1.00 20.34 C ATOM 355 CD LYS A 25 11.661 22.348 -15.843 1.00 5.25 C ATOM 356 CE LYS A 25 12.315 23.721 -15.797 1.00 65.42 C ATOM 357 NZ LYS A 25 13.715 23.652 -15.293 1.00 61.33 N ATOM 0 H LYS A 25 8.650 21.834 -15.706 1.00 13.11 H new ATOM 0 HA LYS A 25 7.770 24.146 -17.106 1.00 62.11 H new ATOM 0 HB2 LYS A 25 10.157 24.071 -17.971 1.00 51.31 H new ATOM 0 HB3 LYS A 25 9.984 24.121 -16.228 1.00 51.31 H new ATOM 0 HG2 LYS A 25 10.020 21.380 -16.830 1.00 20.34 H new ATOM 0 HG3 LYS A 25 11.203 22.073 -17.921 1.00 20.34 H new ATOM 0 HD2 LYS A 25 11.152 22.154 -14.899 1.00 5.25 H new ATOM 0 HD3 LYS A 25 12.428 21.582 -15.955 1.00 5.25 H new ATOM 0 HE2 LYS A 25 12.309 24.160 -16.795 1.00 65.42 H new ATOM 0 HE3 LYS A 25 11.730 24.381 -15.156 1.00 65.42 H new ATOM 0 HZ1 LYS A 25 14.126 24.607 -15.277 1.00 61.33 H new ATOM 0 HZ2 LYS A 25 13.719 23.257 -14.331 1.00 61.33 H new ATOM 0 HZ3 LYS A 25 14.280 23.043 -15.919 1.00 61.33 H new ATOM 371 N GLU A 26 8.375 21.425 -18.883 1.00 3.20 N ATOM 372 CA GLU A 26 8.143 20.799 -20.179 1.00 43.13 C ATOM 373 C GLU A 26 6.659 20.512 -20.387 1.00 50.42 C ATOM 374 O GLU A 26 6.114 20.754 -21.464 1.00 1.53 O ATOM 375 CB GLU A 26 8.946 19.501 -20.295 1.00 14.34 C ATOM 376 CG GLU A 26 8.982 18.692 -19.009 1.00 72.22 C ATOM 377 CD GLU A 26 8.669 17.225 -19.234 1.00 55.33 C ATOM 378 OE1 GLU A 26 9.472 16.542 -19.903 1.00 54.43 O ATOM 379 OE2 GLU A 26 7.619 16.761 -18.741 1.00 25.15 O ATOM 0 H GLU A 26 8.821 20.818 -18.195 1.00 3.20 H new ATOM 0 HA GLU A 26 8.473 21.492 -20.953 1.00 43.13 H new ATOM 0 HB2 GLU A 26 8.518 18.888 -21.088 1.00 14.34 H new ATOM 0 HB3 GLU A 26 9.967 19.740 -20.593 1.00 14.34 H new ATOM 0 HG2 GLU A 26 9.968 18.784 -18.554 1.00 72.22 H new ATOM 0 HG3 GLU A 26 8.265 19.108 -18.302 1.00 72.22 H new ATOM 386 N ALA A 27 6.011 19.995 -19.349 1.00 23.53 N ATOM 387 CA ALA A 27 4.590 19.676 -19.416 1.00 65.01 C ATOM 388 C ALA A 27 3.745 20.944 -19.457 1.00 12.23 C ATOM 389 O ALA A 27 2.631 20.943 -19.978 1.00 73.35 O ATOM 390 CB ALA A 27 4.187 18.808 -18.233 1.00 45.21 C ATOM 0 H ALA A 27 6.448 19.788 -18.451 1.00 23.53 H new ATOM 0 HA ALA A 27 4.410 19.121 -20.337 1.00 65.01 H new ATOM 0 HB1 ALA A 27 3.123 18.578 -18.296 1.00 45.21 H new ATOM 0 HB2 ALA A 27 4.761 17.881 -18.250 1.00 45.21 H new ATOM 0 HB3 ALA A 27 4.388 19.342 -17.304 1.00 45.21 H new ATOM 396 N GLY A 28 4.282 22.026 -18.901 1.00 40.55 N ATOM 397 CA GLY A 28 3.562 23.286 -18.884 1.00 42.44 C ATOM 398 C GLY A 28 2.623 23.402 -17.700 1.00 24.21 C ATOM 399 O GLY A 28 1.581 24.052 -17.785 1.00 3.15 O ATOM 0 H GLY A 28 5.202 22.052 -18.462 1.00 40.55 H new ATOM 0 HA2 GLY A 28 4.277 24.109 -18.859 1.00 42.44 H new ATOM 0 HA3 GLY A 28 2.992 23.387 -19.807 1.00 42.44 H new ATOM 403 N LYS A 29 2.991 22.768 -16.592 1.00 22.14 N ATOM 404 CA LYS A 29 2.175 22.801 -15.384 1.00 11.12 C ATOM 405 C LYS A 29 2.965 23.367 -14.208 1.00 42.55 C ATOM 406 O LYS A 29 4.183 23.205 -14.130 1.00 70.22 O ATOM 407 CB LYS A 29 1.672 21.396 -15.044 1.00 43.14 C ATOM 408 CG LYS A 29 2.663 20.574 -14.238 1.00 13.10 C ATOM 409 CD LYS A 29 2.887 19.205 -14.858 1.00 52.23 C ATOM 410 CE LYS A 29 1.589 18.613 -15.385 1.00 32.53 C ATOM 411 NZ LYS A 29 1.435 17.182 -14.999 1.00 3.52 N ATOM 0 H LYS A 29 3.850 22.225 -16.506 1.00 22.14 H new ATOM 0 HA LYS A 29 1.320 23.451 -15.572 1.00 11.12 H new ATOM 0 HB2 LYS A 29 0.741 21.478 -14.484 1.00 43.14 H new ATOM 0 HB3 LYS A 29 1.442 20.868 -15.969 1.00 43.14 H new ATOM 0 HG2 LYS A 29 3.612 21.106 -14.176 1.00 13.10 H new ATOM 0 HG3 LYS A 29 2.296 20.457 -13.218 1.00 13.10 H new ATOM 0 HD2 LYS A 29 3.608 19.286 -15.672 1.00 52.23 H new ATOM 0 HD3 LYS A 29 3.319 18.534 -14.115 1.00 52.23 H new ATOM 0 HE2 LYS A 29 0.746 19.186 -15.000 1.00 32.53 H new ATOM 0 HE3 LYS A 29 1.564 18.701 -16.471 1.00 32.53 H new ATOM 0 HZ1 LYS A 29 0.538 16.815 -15.377 1.00 3.52 H new ATOM 0 HZ2 LYS A 29 2.226 16.630 -15.388 1.00 3.52 H new ATOM 0 HZ3 LYS A 29 1.433 17.100 -13.962 1.00 3.52 H new ATOM 425 N VAL A 30 2.264 24.032 -13.295 1.00 62.02 N ATOM 426 CA VAL A 30 2.900 24.620 -12.122 1.00 41.03 C ATOM 427 C VAL A 30 3.497 23.543 -11.223 1.00 10.41 C ATOM 428 O VAL A 30 3.146 22.368 -11.326 1.00 54.10 O ATOM 429 CB VAL A 30 1.902 25.461 -11.305 1.00 34.22 C ATOM 430 CG1 VAL A 30 1.907 25.028 -9.847 1.00 33.23 C ATOM 431 CG2 VAL A 30 2.225 26.942 -11.431 1.00 15.03 C ATOM 0 H VAL A 30 1.256 24.177 -13.345 1.00 62.02 H new ATOM 0 HA VAL A 30 3.697 25.268 -12.485 1.00 41.03 H new ATOM 0 HB VAL A 30 0.902 25.296 -11.705 1.00 34.22 H new ATOM 0 HG11 VAL A 30 1.196 25.633 -9.285 1.00 33.23 H new ATOM 0 HG12 VAL A 30 1.623 23.978 -9.778 1.00 33.23 H new ATOM 0 HG13 VAL A 30 2.906 25.162 -9.431 1.00 33.23 H new ATOM 0 HG21 VAL A 30 1.510 27.521 -10.847 1.00 15.03 H new ATOM 0 HG22 VAL A 30 3.232 27.128 -11.058 1.00 15.03 H new ATOM 0 HG23 VAL A 30 2.165 27.240 -12.478 1.00 15.03 H new ATOM 441 N VAL A 31 4.402 23.953 -10.340 1.00 21.24 N ATOM 442 CA VAL A 31 5.047 23.024 -9.420 1.00 25.41 C ATOM 443 C VAL A 31 4.669 23.329 -7.975 1.00 31.31 C ATOM 444 O VAL A 31 4.358 24.470 -7.632 1.00 33.41 O ATOM 445 CB VAL A 31 6.581 23.071 -9.558 1.00 72.03 C ATOM 446 CG1 VAL A 31 7.245 22.365 -8.386 1.00 71.43 C ATOM 447 CG2 VAL A 31 7.015 22.454 -10.879 1.00 63.01 C ATOM 0 H VAL A 31 4.705 24.922 -10.242 1.00 21.24 H new ATOM 0 HA VAL A 31 4.696 22.026 -9.681 1.00 25.41 H new ATOM 0 HB VAL A 31 6.898 24.114 -9.549 1.00 72.03 H new ATOM 0 HG11 VAL A 31 8.328 22.409 -8.501 1.00 71.43 H new ATOM 0 HG12 VAL A 31 6.959 22.856 -7.456 1.00 71.43 H new ATOM 0 HG13 VAL A 31 6.925 21.323 -8.360 1.00 71.43 H new ATOM 0 HG21 VAL A 31 8.101 22.495 -10.960 1.00 63.01 H new ATOM 0 HG22 VAL A 31 6.687 21.415 -10.921 1.00 63.01 H new ATOM 0 HG23 VAL A 31 6.568 23.009 -11.704 1.00 63.01 H new ATOM 457 N ILE A 32 4.698 22.302 -7.132 1.00 62.11 N ATOM 458 CA ILE A 32 4.360 22.461 -5.723 1.00 73.33 C ATOM 459 C ILE A 32 5.215 21.553 -4.847 1.00 24.24 C ATOM 460 O ILE A 32 4.886 20.385 -4.637 1.00 55.10 O ATOM 461 CB ILE A 32 2.873 22.154 -5.464 1.00 20.25 C ATOM 462 CG1 ILE A 32 1.988 22.988 -6.392 1.00 12.14 C ATOM 463 CG2 ILE A 32 2.524 22.422 -4.007 1.00 75.33 C ATOM 464 CD1 ILE A 32 1.597 22.268 -7.663 1.00 22.50 C ATOM 0 H ILE A 32 4.952 21.351 -7.400 1.00 62.11 H new ATOM 0 HA ILE A 32 4.559 23.501 -5.466 1.00 73.33 H new ATOM 0 HB ILE A 32 2.693 21.100 -5.673 1.00 20.25 H new ATOM 0 HG12 ILE A 32 1.084 23.277 -5.855 1.00 12.14 H new ATOM 0 HG13 ILE A 32 2.513 23.907 -6.652 1.00 12.14 H new ATOM 0 HG21 ILE A 32 1.470 22.201 -3.839 1.00 75.33 H new ATOM 0 HG22 ILE A 32 3.135 21.788 -3.364 1.00 75.33 H new ATOM 0 HG23 ILE A 32 2.717 23.469 -3.773 1.00 75.33 H new ATOM 0 HD11 ILE A 32 0.970 22.919 -8.272 1.00 22.50 H new ATOM 0 HD12 ILE A 32 2.495 22.002 -8.221 1.00 22.50 H new ATOM 0 HD13 ILE A 32 1.044 21.363 -7.413 1.00 22.50 H new ATOM 476 N ILE A 33 6.314 22.098 -4.336 1.00 23.54 N ATOM 477 CA ILE A 33 7.216 21.337 -3.479 1.00 12.32 C ATOM 478 C ILE A 33 6.858 21.518 -2.007 1.00 61.54 C ATOM 479 O ILE A 33 6.858 22.635 -1.490 1.00 74.14 O ATOM 480 CB ILE A 33 8.683 21.755 -3.694 1.00 35.13 C ATOM 481 CG1 ILE A 33 8.875 22.313 -5.105 1.00 50.42 C ATOM 482 CG2 ILE A 33 9.610 20.573 -3.455 1.00 22.02 C ATOM 483 CD1 ILE A 33 8.663 23.808 -5.198 1.00 2.34 C ATOM 0 H ILE A 33 6.601 23.063 -4.500 1.00 23.54 H new ATOM 0 HA ILE A 33 7.102 20.288 -3.752 1.00 12.32 H new ATOM 0 HB ILE A 33 8.932 22.538 -2.977 1.00 35.13 H new ATOM 0 HG12 ILE A 33 9.882 22.075 -5.447 1.00 50.42 H new ATOM 0 HG13 ILE A 33 8.182 21.813 -5.782 1.00 50.42 H new ATOM 0 HG21 ILE A 33 10.643 20.884 -3.611 1.00 22.02 H new ATOM 0 HG22 ILE A 33 9.488 20.216 -2.432 1.00 22.02 H new ATOM 0 HG23 ILE A 33 9.364 19.771 -4.151 1.00 22.02 H new ATOM 0 HD11 ILE A 33 8.816 24.134 -6.227 1.00 2.34 H new ATOM 0 HD12 ILE A 33 7.647 24.051 -4.887 1.00 2.34 H new ATOM 0 HD13 ILE A 33 9.374 24.317 -4.547 1.00 2.34 H new ATOM 495 N ASP A 34 6.556 20.411 -1.338 1.00 71.40 N ATOM 496 CA ASP A 34 6.199 20.445 0.076 1.00 41.34 C ATOM 497 C ASP A 34 7.383 20.033 0.945 1.00 73.50 C ATOM 498 O ASP A 34 7.589 18.848 1.210 1.00 73.12 O ATOM 499 CB ASP A 34 5.007 19.526 0.345 1.00 21.23 C ATOM 500 CG ASP A 34 4.154 19.307 -0.889 1.00 13.14 C ATOM 501 OD1 ASP A 34 4.067 20.234 -1.721 1.00 72.51 O ATOM 502 OD2 ASP A 34 3.572 18.210 -1.021 1.00 61.33 O ATOM 0 H ASP A 34 6.551 19.479 -1.752 1.00 71.40 H new ATOM 0 HA ASP A 34 5.923 21.468 0.332 1.00 41.34 H new ATOM 0 HB2 ASP A 34 5.368 18.564 0.708 1.00 21.23 H new ATOM 0 HB3 ASP A 34 4.392 19.955 1.136 1.00 21.23 H new ATOM 507 N PHE A 35 8.159 21.017 1.386 1.00 54.35 N ATOM 508 CA PHE A 35 9.323 20.757 2.223 1.00 23.44 C ATOM 509 C PHE A 35 8.904 20.193 3.578 1.00 74.32 C ATOM 510 O PHE A 35 7.764 19.761 3.758 1.00 3.23 O ATOM 511 CB PHE A 35 10.133 22.040 2.421 1.00 22.53 C ATOM 512 CG PHE A 35 10.936 22.433 1.215 1.00 44.51 C ATOM 513 CD1 PHE A 35 12.082 21.734 0.870 1.00 13.11 C ATOM 514 CD2 PHE A 35 10.546 23.504 0.426 1.00 64.42 C ATOM 515 CE1 PHE A 35 12.823 22.094 -0.240 1.00 30.32 C ATOM 516 CE2 PHE A 35 11.283 23.868 -0.685 1.00 64.53 C ATOM 517 CZ PHE A 35 12.424 23.163 -1.018 1.00 33.42 C ATOM 0 H PHE A 35 8.002 22.003 1.177 1.00 54.35 H new ATOM 0 HA PHE A 35 9.944 20.018 1.717 1.00 23.44 H new ATOM 0 HB2 PHE A 35 9.454 22.853 2.676 1.00 22.53 H new ATOM 0 HB3 PHE A 35 10.806 21.909 3.269 1.00 22.53 H new ATOM 0 HD1 PHE A 35 12.400 20.898 1.476 1.00 13.11 H new ATOM 0 HD2 PHE A 35 9.656 24.060 0.682 1.00 64.42 H new ATOM 0 HE1 PHE A 35 13.713 21.540 -0.499 1.00 30.32 H new ATOM 0 HE2 PHE A 35 10.967 24.703 -1.293 1.00 64.53 H new ATOM 0 HZ PHE A 35 13.002 23.447 -1.885 1.00 33.42 H new ATOM 527 N THR A 36 9.833 20.199 4.528 1.00 30.25 N ATOM 528 CA THR A 36 9.562 19.687 5.866 1.00 73.02 C ATOM 529 C THR A 36 10.808 19.057 6.477 1.00 61.03 C ATOM 530 O THR A 36 11.469 18.231 5.848 1.00 31.55 O ATOM 531 CB THR A 36 8.429 18.644 5.849 1.00 74.41 C ATOM 532 OG1 THR A 36 8.368 17.965 7.109 1.00 43.54 O ATOM 533 CG2 THR A 36 8.641 17.632 4.732 1.00 11.35 C ATOM 0 H THR A 36 10.780 20.553 4.396 1.00 30.25 H new ATOM 0 HA THR A 36 9.254 20.538 6.473 1.00 73.02 H new ATOM 0 HB THR A 36 7.488 19.166 5.672 1.00 74.41 H new ATOM 0 HG1 THR A 36 7.644 17.305 7.090 1.00 43.54 H new ATOM 0 HG21 THR A 36 7.828 16.906 4.740 1.00 11.35 H new ATOM 0 HG22 THR A 36 8.657 18.148 3.772 1.00 11.35 H new ATOM 0 HG23 THR A 36 9.590 17.117 4.883 1.00 11.35 H new ATOM 629 N ARG A 44 -0.643 13.984 8.959 1.00 55.32 N ATOM 630 CA ARG A 44 -1.700 13.162 9.535 1.00 21.43 C ATOM 631 C ARG A 44 -3.061 13.832 9.372 1.00 31.41 C ATOM 632 O ARG A 44 -4.015 13.216 8.895 1.00 45.14 O ATOM 633 CB ARG A 44 -1.422 12.902 11.017 1.00 21.30 C ATOM 634 CG ARG A 44 -0.416 11.788 11.262 1.00 54.51 C ATOM 635 CD ARG A 44 -0.876 10.858 12.373 1.00 25.43 C ATOM 636 NE ARG A 44 0.239 10.401 13.200 1.00 74.44 N ATOM 637 CZ ARG A 44 0.171 9.349 14.008 1.00 71.41 C ATOM 638 NH1 ARG A 44 -0.951 8.648 14.098 1.00 54.54 N ATOM 639 NH2 ARG A 44 1.228 8.995 14.728 1.00 34.22 N ATOM 0 HA ARG A 44 -1.717 12.211 9.002 1.00 21.43 H new ATOM 0 HB2 ARG A 44 -1.054 13.820 11.475 1.00 21.30 H new ATOM 0 HB3 ARG A 44 -2.358 12.650 11.515 1.00 21.30 H new ATOM 0 HG2 ARG A 44 -0.272 11.218 10.344 1.00 54.51 H new ATOM 0 HG3 ARG A 44 0.550 12.220 11.524 1.00 54.51 H new ATOM 0 HD2 ARG A 44 -1.605 11.373 12.999 1.00 25.43 H new ATOM 0 HD3 ARG A 44 -1.382 9.996 11.938 1.00 25.43 H new ATOM 0 HE ARG A 44 1.117 10.918 13.154 1.00 74.44 H new ATOM 0 HH11 ARG A 44 -1.766 8.916 13.546 1.00 54.54 H new ATOM 0 HH12 ARG A 44 -1.000 7.841 14.720 1.00 54.54 H new ATOM 0 HH21 ARG A 44 2.093 9.531 14.661 1.00 34.22 H new ATOM 0 HH22 ARG A 44 1.175 8.187 15.348 1.00 34.22 H new ATOM 653 N PHE A 45 -3.144 15.096 9.772 1.00 12.13 N ATOM 654 CA PHE A 45 -4.389 15.850 9.672 1.00 64.40 C ATOM 655 C PHE A 45 -4.647 16.283 8.232 1.00 13.10 C ATOM 656 O PHE A 45 -5.760 16.148 7.723 1.00 52.15 O ATOM 657 CB PHE A 45 -4.342 17.076 10.585 1.00 1.33 C ATOM 658 CG PHE A 45 -5.592 17.907 10.538 1.00 74.03 C ATOM 659 CD1 PHE A 45 -6.735 17.501 11.208 1.00 53.43 C ATOM 660 CD2 PHE A 45 -5.625 19.093 9.822 1.00 0.35 C ATOM 661 CE1 PHE A 45 -7.888 18.264 11.166 1.00 24.33 C ATOM 662 CE2 PHE A 45 -6.774 19.860 9.778 1.00 71.22 C ATOM 663 CZ PHE A 45 -7.907 19.444 10.449 1.00 32.05 C ATOM 0 H PHE A 45 -2.364 15.620 10.169 1.00 12.13 H new ATOM 0 HA PHE A 45 -5.205 15.201 9.990 1.00 64.40 H new ATOM 0 HB2 PHE A 45 -4.171 16.749 11.611 1.00 1.33 H new ATOM 0 HB3 PHE A 45 -3.492 17.697 10.303 1.00 1.33 H new ATOM 0 HD1 PHE A 45 -6.725 16.578 11.769 1.00 53.43 H new ATOM 0 HD2 PHE A 45 -4.743 19.422 9.292 1.00 0.35 H new ATOM 0 HE1 PHE A 45 -8.772 17.937 11.693 1.00 24.33 H new ATOM 0 HE2 PHE A 45 -6.786 20.784 9.219 1.00 71.22 H new ATOM 0 HZ PHE A 45 -8.807 20.041 10.413 1.00 32.05 H new ATOM 673 N ILE A 46 -3.612 16.805 7.583 1.00 71.45 N ATOM 674 CA ILE A 46 -3.727 17.258 6.202 1.00 63.42 C ATOM 675 C ILE A 46 -3.075 16.268 5.243 1.00 62.54 C ATOM 676 O ILE A 46 -2.924 16.547 4.054 1.00 44.32 O ATOM 677 CB ILE A 46 -3.082 18.643 6.008 1.00 31.24 C ATOM 678 CG1 ILE A 46 -3.711 19.360 4.812 1.00 34.12 C ATOM 679 CG2 ILE A 46 -1.579 18.506 5.820 1.00 63.22 C ATOM 680 CD1 ILE A 46 -3.611 20.867 4.890 1.00 11.21 C ATOM 0 H ILE A 46 -2.685 16.925 7.991 1.00 71.45 H new ATOM 0 HA ILE A 46 -4.792 17.328 5.981 1.00 63.42 H new ATOM 0 HB ILE A 46 -3.263 19.240 6.902 1.00 31.24 H new ATOM 0 HG12 ILE A 46 -3.226 19.019 3.898 1.00 34.12 H new ATOM 0 HG13 ILE A 46 -4.761 19.077 4.740 1.00 34.12 H new ATOM 0 HG21 ILE A 46 -1.138 19.493 5.684 1.00 63.22 H new ATOM 0 HG22 ILE A 46 -1.144 18.032 6.700 1.00 63.22 H new ATOM 0 HG23 ILE A 46 -1.377 17.894 4.941 1.00 63.22 H new ATOM 0 HD11 ILE A 46 -4.077 21.309 4.009 1.00 11.21 H new ATOM 0 HD12 ILE A 46 -4.121 21.220 5.786 1.00 11.21 H new ATOM 0 HD13 ILE A 46 -2.562 21.160 4.931 1.00 11.21 H new ATOM 692 N ALA A 47 -2.692 15.108 5.767 1.00 0.14 N ATOM 693 CA ALA A 47 -2.060 14.074 4.957 1.00 1.42 C ATOM 694 C ALA A 47 -2.931 13.706 3.761 1.00 63.51 C ATOM 695 O ALA A 47 -2.500 13.758 2.609 1.00 45.31 O ATOM 696 CB ALA A 47 -1.773 12.843 5.803 1.00 22.32 C ATOM 0 H ALA A 47 -2.809 14.861 6.750 1.00 0.14 H new ATOM 0 HA ALA A 47 -1.117 14.468 4.579 1.00 1.42 H new ATOM 0 HB1 ALA A 47 -1.301 12.079 5.185 1.00 22.32 H new ATOM 0 HB2 ALA A 47 -1.105 13.112 6.621 1.00 22.32 H new ATOM 0 HB3 ALA A 47 -2.707 12.455 6.209 1.00 22.32 H new ATOM 702 N PRO A 48 -4.186 13.322 4.037 1.00 1.05 N ATOM 703 CA PRO A 48 -5.143 12.937 2.997 1.00 73.45 C ATOM 704 C PRO A 48 -5.588 14.124 2.150 1.00 54.12 C ATOM 705 O PRO A 48 -6.453 13.992 1.284 1.00 53.43 O ATOM 706 CB PRO A 48 -6.324 12.374 3.792 1.00 53.24 C ATOM 707 CG PRO A 48 -6.234 13.036 5.123 1.00 20.12 C ATOM 708 CD PRO A 48 -4.767 13.236 5.388 1.00 72.34 C ATOM 0 HA PRO A 48 -4.712 12.229 2.289 1.00 73.45 H new ATOM 0 HB2 PRO A 48 -7.272 12.596 3.303 1.00 53.24 H new ATOM 0 HB3 PRO A 48 -6.259 11.290 3.884 1.00 53.24 H new ATOM 0 HG2 PRO A 48 -6.764 13.989 5.122 1.00 20.12 H new ATOM 0 HG3 PRO A 48 -6.690 12.419 5.897 1.00 20.12 H new ATOM 0 HD2 PRO A 48 -4.582 14.143 5.964 1.00 72.34 H new ATOM 0 HD3 PRO A 48 -4.344 12.407 5.955 1.00 72.34 H new ATOM 716 N VAL A 49 -4.992 15.284 2.405 1.00 4.14 N ATOM 717 CA VAL A 49 -5.326 16.495 1.665 1.00 4.03 C ATOM 718 C VAL A 49 -4.289 16.782 0.585 1.00 52.23 C ATOM 719 O VAL A 49 -4.634 17.049 -0.567 1.00 14.25 O ATOM 720 CB VAL A 49 -5.427 17.714 2.601 1.00 53.53 C ATOM 721 CG1 VAL A 49 -5.263 19.006 1.814 1.00 11.13 C ATOM 722 CG2 VAL A 49 -6.751 17.702 3.350 1.00 21.53 C ATOM 0 H VAL A 49 -4.275 15.411 3.119 1.00 4.14 H new ATOM 0 HA VAL A 49 -6.296 16.324 1.197 1.00 4.03 H new ATOM 0 HB VAL A 49 -4.621 17.657 3.332 1.00 53.53 H new ATOM 0 HG11 VAL A 49 -5.337 19.857 2.492 1.00 11.13 H new ATOM 0 HG12 VAL A 49 -4.288 19.014 1.327 1.00 11.13 H new ATOM 0 HG13 VAL A 49 -6.046 19.074 1.059 1.00 11.13 H new ATOM 0 HG21 VAL A 49 -6.805 18.570 4.007 1.00 21.53 H new ATOM 0 HG22 VAL A 49 -7.574 17.735 2.636 1.00 21.53 H new ATOM 0 HG23 VAL A 49 -6.824 16.792 3.945 1.00 21.53 H new ATOM 732 N PHE A 50 -3.017 16.725 0.963 1.00 4.12 N ATOM 733 CA PHE A 50 -1.928 16.980 0.026 1.00 33.55 C ATOM 734 C PHE A 50 -1.940 15.961 -1.110 1.00 5.21 C ATOM 735 O PHE A 50 -2.274 16.289 -2.248 1.00 32.12 O ATOM 736 CB PHE A 50 -0.582 16.936 0.752 1.00 21.01 C ATOM 737 CG PHE A 50 -0.447 17.975 1.828 1.00 11.12 C ATOM 738 CD1 PHE A 50 -1.411 18.958 1.985 1.00 44.43 C ATOM 739 CD2 PHE A 50 0.643 17.968 2.684 1.00 52.23 C ATOM 740 CE1 PHE A 50 -1.288 19.916 2.974 1.00 54.14 C ATOM 741 CE2 PHE A 50 0.770 18.923 3.675 1.00 42.22 C ATOM 742 CZ PHE A 50 -0.197 19.898 3.820 1.00 34.25 C ATOM 0 H PHE A 50 -2.714 16.505 1.912 1.00 4.12 H new ATOM 0 HA PHE A 50 -2.071 17.974 -0.399 1.00 33.55 H new ATOM 0 HB2 PHE A 50 -0.448 15.948 1.193 1.00 21.01 H new ATOM 0 HB3 PHE A 50 0.219 17.071 0.025 1.00 21.01 H new ATOM 0 HD1 PHE A 50 -2.268 18.976 1.328 1.00 44.43 H new ATOM 0 HD2 PHE A 50 1.402 17.207 2.575 1.00 52.23 H new ATOM 0 HE1 PHE A 50 -2.045 20.678 3.085 1.00 54.14 H new ATOM 0 HE2 PHE A 50 1.625 18.907 4.335 1.00 42.22 H new ATOM 0 HZ PHE A 50 -0.100 20.645 4.594 1.00 34.25 H new ATOM 752 N ALA A 51 -1.571 14.725 -0.792 1.00 25.30 N ATOM 753 CA ALA A 51 -1.539 13.658 -1.785 1.00 32.24 C ATOM 754 C ALA A 51 -2.821 13.639 -2.611 1.00 21.34 C ATOM 755 O ALA A 51 -2.777 13.627 -3.840 1.00 62.42 O ATOM 756 CB ALA A 51 -1.326 12.312 -1.107 1.00 3.42 C ATOM 0 H ALA A 51 -1.290 14.437 0.145 1.00 25.30 H new ATOM 0 HA ALA A 51 -0.705 13.848 -2.460 1.00 32.24 H new ATOM 0 HB1 ALA A 51 -1.304 11.525 -1.860 1.00 3.42 H new ATOM 0 HB2 ALA A 51 -0.380 12.323 -0.566 1.00 3.42 H new ATOM 0 HB3 ALA A 51 -2.141 12.123 -0.408 1.00 3.42 H new ATOM 762 N GLU A 52 -3.961 13.635 -1.926 1.00 44.33 N ATOM 763 CA GLU A 52 -5.254 13.616 -2.599 1.00 34.14 C ATOM 764 C GLU A 52 -5.417 14.836 -3.501 1.00 62.52 C ATOM 765 O GLU A 52 -6.091 14.775 -4.530 1.00 32.14 O ATOM 766 CB GLU A 52 -6.387 13.574 -1.571 1.00 74.31 C ATOM 767 CG GLU A 52 -6.978 14.939 -1.260 1.00 31.30 C ATOM 768 CD GLU A 52 -8.200 14.856 -0.365 1.00 64.42 C ATOM 769 OE1 GLU A 52 -8.714 13.735 -0.167 1.00 60.23 O ATOM 770 OE2 GLU A 52 -8.641 15.910 0.137 1.00 50.35 O ATOM 0 H GLU A 52 -4.015 13.645 -0.907 1.00 44.33 H new ATOM 0 HA GLU A 52 -5.299 12.720 -3.218 1.00 34.14 H new ATOM 0 HB2 GLU A 52 -7.178 12.921 -1.941 1.00 74.31 H new ATOM 0 HB3 GLU A 52 -6.013 13.131 -0.648 1.00 74.31 H new ATOM 0 HG2 GLU A 52 -6.221 15.557 -0.778 1.00 31.30 H new ATOM 0 HG3 GLU A 52 -7.248 15.435 -2.192 1.00 31.30 H new ATOM 777 N TYR A 53 -4.795 15.942 -3.109 1.00 23.54 N ATOM 778 CA TYR A 53 -4.872 17.177 -3.880 1.00 31.34 C ATOM 779 C TYR A 53 -4.028 17.082 -5.147 1.00 20.41 C ATOM 780 O TYR A 53 -4.484 17.426 -6.237 1.00 23.11 O ATOM 781 CB TYR A 53 -4.407 18.362 -3.032 1.00 34.24 C ATOM 782 CG TYR A 53 -5.486 18.923 -2.133 1.00 1.13 C ATOM 783 CD1 TYR A 53 -6.681 18.241 -1.939 1.00 2.41 C ATOM 784 CD2 TYR A 53 -5.309 20.135 -1.476 1.00 52.03 C ATOM 785 CE1 TYR A 53 -7.669 18.751 -1.119 1.00 51.02 C ATOM 786 CE2 TYR A 53 -6.291 20.652 -0.653 1.00 74.54 C ATOM 787 CZ TYR A 53 -7.470 19.956 -0.479 1.00 4.15 C ATOM 788 OH TYR A 53 -8.451 20.466 0.340 1.00 10.40 O ATOM 0 H TYR A 53 -4.232 16.009 -2.261 1.00 23.54 H new ATOM 0 HA TYR A 53 -5.912 17.331 -4.169 1.00 31.34 H new ATOM 0 HB2 TYR A 53 -3.561 18.050 -2.419 1.00 34.24 H new ATOM 0 HB3 TYR A 53 -4.048 19.152 -3.692 1.00 34.24 H new ATOM 0 HD1 TYR A 53 -6.840 17.296 -2.438 1.00 2.41 H new ATOM 0 HD2 TYR A 53 -4.388 20.682 -1.611 1.00 52.03 H new ATOM 0 HE1 TYR A 53 -8.593 18.209 -0.980 1.00 51.02 H new ATOM 0 HE2 TYR A 53 -6.137 21.595 -0.149 1.00 74.54 H new ATOM 0 HH TYR A 53 -8.553 21.426 0.169 1.00 10.40 H new ATOM 798 N ALA A 54 -2.794 16.611 -4.994 1.00 55.13 N ATOM 799 CA ALA A 54 -1.886 16.467 -6.125 1.00 54.44 C ATOM 800 C ALA A 54 -2.619 15.938 -7.354 1.00 1.52 C ATOM 801 O ALA A 54 -2.401 16.409 -8.470 1.00 40.34 O ATOM 802 CB ALA A 54 -0.731 15.547 -5.761 1.00 3.42 C ATOM 0 H ALA A 54 -2.401 16.323 -4.098 1.00 55.13 H new ATOM 0 HA ALA A 54 -1.489 17.453 -6.367 1.00 54.44 H new ATOM 0 HB1 ALA A 54 -0.061 15.449 -6.615 1.00 3.42 H new ATOM 0 HB2 ALA A 54 -0.184 15.967 -4.917 1.00 3.42 H new ATOM 0 HB3 ALA A 54 -1.119 14.565 -5.490 1.00 3.42 H new ATOM 808 N LYS A 55 -3.488 14.956 -7.141 1.00 52.31 N ATOM 809 CA LYS A 55 -4.254 14.363 -8.231 1.00 32.45 C ATOM 810 C LYS A 55 -5.416 15.265 -8.634 1.00 10.04 C ATOM 811 O LYS A 55 -5.716 15.417 -9.818 1.00 33.40 O ATOM 812 CB LYS A 55 -4.782 12.986 -7.819 1.00 52.43 C ATOM 813 CG LYS A 55 -3.720 12.081 -7.221 1.00 4.24 C ATOM 814 CD LYS A 55 -4.336 10.988 -6.364 1.00 73.13 C ATOM 815 CE LYS A 55 -5.317 10.142 -7.162 1.00 23.41 C ATOM 816 NZ LYS A 55 -4.645 8.987 -7.820 1.00 31.10 N ATOM 0 H LYS A 55 -3.680 14.554 -6.223 1.00 52.31 H new ATOM 0 HA LYS A 55 -3.591 14.250 -9.089 1.00 32.45 H new ATOM 0 HB2 LYS A 55 -5.586 13.116 -7.095 1.00 52.43 H new ATOM 0 HB3 LYS A 55 -5.215 12.497 -8.691 1.00 52.43 H new ATOM 0 HG2 LYS A 55 -3.133 11.630 -8.021 1.00 4.24 H new ATOM 0 HG3 LYS A 55 -3.033 12.674 -6.617 1.00 4.24 H new ATOM 0 HD2 LYS A 55 -3.548 10.351 -5.962 1.00 73.13 H new ATOM 0 HD3 LYS A 55 -4.849 11.437 -5.513 1.00 73.13 H new ATOM 0 HE2 LYS A 55 -6.103 9.777 -6.501 1.00 23.41 H new ATOM 0 HE3 LYS A 55 -5.799 10.761 -7.919 1.00 23.41 H new ATOM 0 HZ1 LYS A 55 -5.347 8.435 -8.354 1.00 31.10 H new ATOM 0 HZ2 LYS A 55 -3.912 9.336 -8.470 1.00 31.10 H new ATOM 0 HZ3 LYS A 55 -4.207 8.382 -7.096 1.00 31.10 H new ATOM 830 N LYS A 56 -6.066 15.864 -7.641 1.00 70.33 N ATOM 831 CA LYS A 56 -7.193 16.754 -7.892 1.00 34.23 C ATOM 832 C LYS A 56 -6.800 17.874 -8.850 1.00 31.33 C ATOM 833 O LYS A 56 -7.625 18.361 -9.623 1.00 61.43 O ATOM 834 CB LYS A 56 -7.702 17.348 -6.577 1.00 11.45 C ATOM 835 CG LYS A 56 -8.236 16.310 -5.605 1.00 62.55 C ATOM 836 CD LYS A 56 -9.678 16.594 -5.221 1.00 51.24 C ATOM 837 CE LYS A 56 -9.810 17.927 -4.500 1.00 31.55 C ATOM 838 NZ LYS A 56 -11.223 18.396 -4.455 1.00 63.21 N ATOM 0 H LYS A 56 -5.831 15.749 -6.655 1.00 70.33 H new ATOM 0 HA LYS A 56 -7.990 16.170 -8.353 1.00 34.23 H new ATOM 0 HB2 LYS A 56 -6.891 17.898 -6.099 1.00 11.45 H new ATOM 0 HB3 LYS A 56 -8.490 18.068 -6.795 1.00 11.45 H new ATOM 0 HG2 LYS A 56 -8.167 15.320 -6.055 1.00 62.55 H new ATOM 0 HG3 LYS A 56 -7.616 16.297 -4.709 1.00 62.55 H new ATOM 0 HD2 LYS A 56 -10.300 16.600 -6.116 1.00 51.24 H new ATOM 0 HD3 LYS A 56 -10.049 15.794 -4.580 1.00 51.24 H new ATOM 0 HE2 LYS A 56 -9.427 17.830 -3.484 1.00 31.55 H new ATOM 0 HE3 LYS A 56 -9.195 18.674 -5.002 1.00 31.55 H new ATOM 0 HZ1 LYS A 56 -11.271 19.307 -3.956 1.00 63.21 H new ATOM 0 HZ2 LYS A 56 -11.581 18.513 -5.424 1.00 63.21 H new ATOM 0 HZ3 LYS A 56 -11.805 17.696 -3.953 1.00 63.21 H new ATOM 852 N PHE A 57 -5.535 18.277 -8.794 1.00 12.13 N ATOM 853 CA PHE A 57 -5.033 19.339 -9.657 1.00 44.51 C ATOM 854 C PHE A 57 -4.069 18.782 -10.700 1.00 45.23 C ATOM 855 O PHE A 57 -2.860 18.699 -10.483 1.00 65.53 O ATOM 856 CB PHE A 57 -4.334 20.415 -8.823 1.00 45.34 C ATOM 857 CG PHE A 57 -5.264 21.479 -8.316 1.00 52.51 C ATOM 858 CD1 PHE A 57 -5.521 22.612 -9.072 1.00 22.10 C ATOM 859 CD2 PHE A 57 -5.882 21.348 -7.083 1.00 31.41 C ATOM 860 CE1 PHE A 57 -6.377 23.593 -8.608 1.00 70.03 C ATOM 861 CE2 PHE A 57 -6.739 22.325 -6.614 1.00 75.02 C ATOM 862 CZ PHE A 57 -6.986 23.450 -7.377 1.00 73.42 C ATOM 0 H PHE A 57 -4.839 17.884 -8.160 1.00 12.13 H new ATOM 0 HA PHE A 57 -5.882 19.785 -10.174 1.00 44.51 H new ATOM 0 HB2 PHE A 57 -3.840 19.942 -7.975 1.00 45.34 H new ATOM 0 HB3 PHE A 57 -3.555 20.882 -9.426 1.00 45.34 H new ATOM 0 HD1 PHE A 57 -5.047 22.730 -10.035 1.00 22.10 H new ATOM 0 HD2 PHE A 57 -5.692 20.472 -6.481 1.00 31.41 H new ATOM 0 HE1 PHE A 57 -6.569 24.470 -9.208 1.00 70.03 H new ATOM 0 HE2 PHE A 57 -7.215 22.209 -5.652 1.00 75.02 H new ATOM 0 HZ PHE A 57 -7.654 24.216 -7.011 1.00 73.42 H new ATOM 872 N PRO A 58 -4.615 18.391 -11.861 1.00 32.20 N ATOM 873 CA PRO A 58 -3.823 17.835 -12.961 1.00 65.55 C ATOM 874 C PRO A 58 -2.932 18.882 -13.621 1.00 63.43 C ATOM 875 O PRO A 58 -2.157 18.571 -14.525 1.00 24.03 O ATOM 876 CB PRO A 58 -4.883 17.337 -13.947 1.00 13.43 C ATOM 877 CG PRO A 58 -6.084 18.173 -13.664 1.00 31.53 C ATOM 878 CD PRO A 58 -6.049 18.462 -12.189 1.00 31.35 C ATOM 0 HA PRO A 58 -3.141 17.057 -12.618 1.00 65.55 H new ATOM 0 HB2 PRO A 58 -4.552 17.456 -14.979 1.00 13.43 H new ATOM 0 HB3 PRO A 58 -5.094 16.278 -13.800 1.00 13.43 H new ATOM 0 HG2 PRO A 58 -6.062 19.096 -14.243 1.00 31.53 H new ATOM 0 HG3 PRO A 58 -6.999 17.647 -13.937 1.00 31.53 H new ATOM 0 HD2 PRO A 58 -6.465 19.444 -11.962 1.00 31.35 H new ATOM 0 HD3 PRO A 58 -6.627 17.732 -11.623 1.00 31.35 H new ATOM 886 N GLY A 59 -3.048 20.124 -13.163 1.00 43.51 N ATOM 887 CA GLY A 59 -2.246 21.198 -13.721 1.00 13.34 C ATOM 888 C GLY A 59 -0.993 21.467 -12.911 1.00 71.22 C ATOM 889 O GLY A 59 -0.417 22.552 -12.988 1.00 33.42 O ATOM 0 H GLY A 59 -3.682 20.406 -12.416 1.00 43.51 H new ATOM 0 HA2 GLY A 59 -1.966 20.945 -14.744 1.00 13.34 H new ATOM 0 HA3 GLY A 59 -2.845 22.107 -13.770 1.00 13.34 H new ATOM 893 N ALA A 60 -0.571 20.477 -12.132 1.00 25.32 N ATOM 894 CA ALA A 60 0.622 20.611 -11.305 1.00 44.30 C ATOM 895 C ALA A 60 1.353 19.279 -11.175 1.00 3.30 C ATOM 896 O ALA A 60 0.794 18.222 -11.466 1.00 22.20 O ATOM 897 CB ALA A 60 0.254 21.150 -9.931 1.00 31.25 C ATOM 0 H ALA A 60 -1.038 19.573 -12.056 1.00 25.32 H new ATOM 0 HA ALA A 60 1.294 21.318 -11.792 1.00 44.30 H new ATOM 0 HB1 ALA A 60 1.155 21.245 -9.324 1.00 31.25 H new ATOM 0 HB2 ALA A 60 -0.216 22.127 -10.038 1.00 31.25 H new ATOM 0 HB3 ALA A 60 -0.440 20.464 -9.445 1.00 31.25 H new ATOM 903 N VAL A 61 2.607 19.338 -10.737 1.00 31.34 N ATOM 904 CA VAL A 61 3.414 18.136 -10.568 1.00 25.43 C ATOM 905 C VAL A 61 3.390 17.656 -9.121 1.00 3.22 C ATOM 906 O VAL A 61 3.412 16.455 -8.853 1.00 63.41 O ATOM 907 CB VAL A 61 4.875 18.377 -10.993 1.00 22.51 C ATOM 908 CG1 VAL A 61 4.935 18.928 -12.409 1.00 62.54 C ATOM 909 CG2 VAL A 61 5.566 19.317 -10.017 1.00 33.35 C ATOM 0 H VAL A 61 3.085 20.205 -10.493 1.00 31.34 H new ATOM 0 HA VAL A 61 2.978 17.370 -11.209 1.00 25.43 H new ATOM 0 HB VAL A 61 5.402 17.423 -10.977 1.00 22.51 H new ATOM 0 HG11 VAL A 61 5.975 19.092 -12.692 1.00 62.54 H new ATOM 0 HG12 VAL A 61 4.480 18.215 -13.096 1.00 62.54 H new ATOM 0 HG13 VAL A 61 4.393 19.873 -12.455 1.00 62.54 H new ATOM 0 HG21 VAL A 61 6.597 19.476 -10.333 1.00 33.35 H new ATOM 0 HG22 VAL A 61 5.041 20.272 -9.998 1.00 33.35 H new ATOM 0 HG23 VAL A 61 5.556 18.878 -9.020 1.00 33.35 H new ATOM 919 N PHE A 62 3.344 18.604 -8.190 1.00 25.40 N ATOM 920 CA PHE A 62 3.318 18.278 -6.769 1.00 13.33 C ATOM 921 C PHE A 62 4.526 17.430 -6.382 1.00 53.00 C ATOM 922 O PHE A 62 5.160 16.807 -7.235 1.00 11.13 O ATOM 923 CB PHE A 62 2.026 17.537 -6.418 1.00 22.32 C ATOM 924 CG PHE A 62 0.795 18.390 -6.530 1.00 44.21 C ATOM 925 CD1 PHE A 62 0.139 18.527 -7.743 1.00 24.10 C ATOM 926 CD2 PHE A 62 0.294 19.055 -5.423 1.00 0.31 C ATOM 927 CE1 PHE A 62 -0.993 19.312 -7.849 1.00 42.31 C ATOM 928 CE2 PHE A 62 -0.838 19.842 -5.523 1.00 32.11 C ATOM 929 CZ PHE A 62 -1.483 19.970 -6.737 1.00 60.45 C ATOM 0 H PHE A 62 3.324 19.603 -8.394 1.00 25.40 H new ATOM 0 HA PHE A 62 3.358 19.211 -6.207 1.00 13.33 H new ATOM 0 HB2 PHE A 62 1.921 16.674 -7.076 1.00 22.32 H new ATOM 0 HB3 PHE A 62 2.101 17.154 -5.400 1.00 22.32 H new ATOM 0 HD1 PHE A 62 0.517 18.014 -8.615 1.00 24.10 H new ATOM 0 HD2 PHE A 62 0.794 18.957 -4.471 1.00 0.31 H new ATOM 0 HE1 PHE A 62 -1.495 19.411 -8.800 1.00 42.31 H new ATOM 0 HE2 PHE A 62 -1.217 20.356 -4.652 1.00 32.11 H new ATOM 0 HZ PHE A 62 -2.369 20.583 -6.817 1.00 60.45 H new ATOM 939 N LEU A 63 4.839 17.411 -5.091 1.00 52.22 N ATOM 940 CA LEU A 63 5.971 16.640 -4.590 1.00 1.23 C ATOM 941 C LEU A 63 6.350 17.083 -3.180 1.00 44.44 C ATOM 942 O LEU A 63 6.181 18.248 -2.817 1.00 70.41 O ATOM 943 CB LEU A 63 7.172 16.793 -5.525 1.00 72.02 C ATOM 944 CG LEU A 63 8.550 16.665 -4.875 1.00 72.50 C ATOM 945 CD1 LEU A 63 9.229 15.376 -5.314 1.00 10.53 C ATOM 946 CD2 LEU A 63 9.415 17.869 -5.217 1.00 30.15 C ATOM 0 H LEU A 63 4.325 17.921 -4.372 1.00 52.22 H new ATOM 0 HA LEU A 63 5.677 15.591 -4.555 1.00 1.23 H new ATOM 0 HB2 LEU A 63 7.092 16.043 -6.312 1.00 72.02 H new ATOM 0 HB3 LEU A 63 7.109 17.768 -6.008 1.00 72.02 H new ATOM 0 HG LEU A 63 8.419 16.633 -3.793 1.00 72.50 H new ATOM 0 HD11 LEU A 63 10.209 15.302 -4.842 1.00 10.53 H new ATOM 0 HD12 LEU A 63 8.618 14.524 -5.018 1.00 10.53 H new ATOM 0 HD13 LEU A 63 9.348 15.378 -6.397 1.00 10.53 H new ATOM 0 HD21 LEU A 63 10.392 17.761 -4.746 1.00 30.15 H new ATOM 0 HD22 LEU A 63 9.539 17.933 -6.298 1.00 30.15 H new ATOM 0 HD23 LEU A 63 8.935 18.777 -4.852 1.00 30.15 H new ATOM 958 N LYS A 64 6.867 16.148 -2.390 1.00 55.14 N ATOM 959 CA LYS A 64 7.274 16.442 -1.021 1.00 70.55 C ATOM 960 C LYS A 64 8.748 16.112 -0.810 1.00 43.32 C ATOM 961 O LYS A 64 9.220 15.047 -1.208 1.00 31.25 O ATOM 962 CB LYS A 64 6.417 15.650 -0.032 1.00 33.35 C ATOM 963 CG LYS A 64 7.229 14.828 0.955 1.00 13.50 C ATOM 964 CD LYS A 64 6.335 13.977 1.840 1.00 34.53 C ATOM 965 CE LYS A 64 5.206 13.339 1.044 1.00 2.30 C ATOM 966 NZ LYS A 64 4.710 12.091 1.687 1.00 53.20 N ATOM 0 H LYS A 64 7.014 15.180 -2.675 1.00 55.14 H new ATOM 0 HA LYS A 64 7.129 17.508 -0.846 1.00 70.55 H new ATOM 0 HB2 LYS A 64 5.782 16.342 0.521 1.00 33.35 H new ATOM 0 HB3 LYS A 64 5.756 14.985 -0.588 1.00 33.35 H new ATOM 0 HG2 LYS A 64 7.922 14.186 0.412 1.00 13.50 H new ATOM 0 HG3 LYS A 64 7.830 15.493 1.575 1.00 13.50 H new ATOM 0 HD2 LYS A 64 6.930 13.198 2.318 1.00 34.53 H new ATOM 0 HD3 LYS A 64 5.917 14.593 2.636 1.00 34.53 H new ATOM 0 HE2 LYS A 64 4.384 14.049 0.947 1.00 2.30 H new ATOM 0 HE3 LYS A 64 5.554 13.114 0.036 1.00 2.30 H new ATOM 0 HZ1 LYS A 64 3.942 11.687 1.114 1.00 53.20 H new ATOM 0 HZ2 LYS A 64 5.488 11.404 1.757 1.00 53.20 H new ATOM 0 HZ3 LYS A 64 4.354 12.309 2.639 1.00 53.20 H new ATOM 980 N VAL A 65 9.471 17.033 -0.181 1.00 4.21 N ATOM 981 CA VAL A 65 10.892 16.839 0.086 1.00 53.44 C ATOM 982 C VAL A 65 11.233 17.193 1.529 1.00 63.42 C ATOM 983 O VAL A 65 10.487 17.909 2.197 1.00 61.33 O ATOM 984 CB VAL A 65 11.761 17.690 -0.859 1.00 43.11 C ATOM 985 CG1 VAL A 65 10.890 18.594 -1.718 1.00 30.10 C ATOM 986 CG2 VAL A 65 12.769 18.506 -0.064 1.00 44.13 C ATOM 0 H VAL A 65 9.097 17.921 0.153 1.00 4.21 H new ATOM 0 HA VAL A 65 11.106 15.784 -0.086 1.00 53.44 H new ATOM 0 HB VAL A 65 12.310 17.020 -1.521 1.00 43.11 H new ATOM 0 HG11 VAL A 65 11.522 19.187 -2.379 1.00 30.10 H new ATOM 0 HG12 VAL A 65 10.211 17.985 -2.315 1.00 30.10 H new ATOM 0 HG13 VAL A 65 10.311 19.259 -1.076 1.00 30.10 H new ATOM 0 HG21 VAL A 65 13.375 19.101 -0.747 1.00 44.13 H new ATOM 0 HG22 VAL A 65 12.241 19.167 0.623 1.00 44.13 H new ATOM 0 HG23 VAL A 65 13.415 17.835 0.502 1.00 44.13 H new ATOM 996 N ASP A 66 12.366 16.686 2.004 1.00 53.03 N ATOM 997 CA ASP A 66 12.808 16.949 3.368 1.00 1.12 C ATOM 998 C ASP A 66 14.022 17.873 3.377 1.00 14.54 C ATOM 999 O ASP A 66 15.070 17.544 2.822 1.00 0.44 O ATOM 1000 CB ASP A 66 13.145 15.638 4.080 1.00 71.23 C ATOM 1001 CG ASP A 66 12.647 15.611 5.511 1.00 12.33 C ATOM 1002 OD1 ASP A 66 11.422 15.742 5.715 1.00 0.45 O ATOM 1003 OD2 ASP A 66 13.482 15.460 6.428 1.00 40.42 O ATOM 0 H ASP A 66 12.994 16.091 1.464 1.00 53.03 H new ATOM 0 HA ASP A 66 11.994 17.442 3.898 1.00 1.12 H new ATOM 0 HB2 ASP A 66 12.705 14.806 3.530 1.00 71.23 H new ATOM 0 HB3 ASP A 66 14.225 15.491 4.072 1.00 71.23 H new ATOM 1008 N VAL A 67 13.872 19.033 4.011 1.00 75.44 N ATOM 1009 CA VAL A 67 14.955 20.005 4.092 1.00 12.01 C ATOM 1010 C VAL A 67 15.992 19.587 5.128 1.00 30.32 C ATOM 1011 O VAL A 67 16.566 20.427 5.822 1.00 74.23 O ATOM 1012 CB VAL A 67 14.425 21.407 4.449 1.00 62.41 C ATOM 1013 CG1 VAL A 67 13.306 21.812 3.501 1.00 4.15 C ATOM 1014 CG2 VAL A 67 13.951 21.445 5.894 1.00 62.31 C ATOM 0 H VAL A 67 13.011 19.321 4.475 1.00 75.44 H new ATOM 0 HA VAL A 67 15.423 20.041 3.108 1.00 12.01 H new ATOM 0 HB VAL A 67 15.239 22.123 4.339 1.00 62.41 H new ATOM 0 HG11 VAL A 67 12.944 22.805 3.768 1.00 4.15 H new ATOM 0 HG12 VAL A 67 13.683 21.826 2.478 1.00 4.15 H new ATOM 0 HG13 VAL A 67 12.488 21.095 3.576 1.00 4.15 H new ATOM 0 HG21 VAL A 67 13.580 22.443 6.129 1.00 62.31 H new ATOM 0 HG22 VAL A 67 13.151 20.718 6.034 1.00 62.31 H new ATOM 0 HG23 VAL A 67 14.782 21.202 6.556 1.00 62.31 H new ATOM 1024 N ASP A 68 16.228 18.283 5.228 1.00 42.33 N ATOM 1025 CA ASP A 68 17.198 17.752 6.178 1.00 2.44 C ATOM 1026 C ASP A 68 18.189 16.825 5.483 1.00 63.53 C ATOM 1027 O ASP A 68 19.291 16.593 5.980 1.00 51.53 O ATOM 1028 CB ASP A 68 16.483 17.004 7.304 1.00 24.53 C ATOM 1029 CG ASP A 68 17.391 16.736 8.489 1.00 70.21 C ATOM 1030 OD1 ASP A 68 18.608 16.552 8.275 1.00 52.11 O ATOM 1031 OD2 ASP A 68 16.885 16.711 9.630 1.00 73.11 O ATOM 0 H ASP A 68 15.760 17.574 4.662 1.00 42.33 H new ATOM 0 HA ASP A 68 17.750 18.590 6.603 1.00 2.44 H new ATOM 0 HB2 ASP A 68 15.622 17.586 7.634 1.00 24.53 H new ATOM 0 HB3 ASP A 68 16.100 16.058 6.922 1.00 24.53 H new ATOM 1036 N GLU A 69 17.789 16.295 4.331 1.00 55.31 N ATOM 1037 CA GLU A 69 18.642 15.391 3.569 1.00 55.13 C ATOM 1038 C GLU A 69 19.133 16.058 2.287 1.00 22.31 C ATOM 1039 O GLU A 69 20.284 15.881 1.884 1.00 54.32 O ATOM 1040 CB GLU A 69 17.885 14.105 3.230 1.00 70.02 C ATOM 1041 CG GLU A 69 16.550 14.346 2.545 1.00 45.44 C ATOM 1042 CD GLU A 69 15.399 13.655 3.249 1.00 24.11 C ATOM 1043 OE1 GLU A 69 15.576 13.248 4.416 1.00 13.45 O ATOM 1044 OE2 GLU A 69 14.322 13.521 2.632 1.00 32.32 O ATOM 0 H GLU A 69 16.880 16.476 3.905 1.00 55.31 H new ATOM 0 HA GLU A 69 19.507 15.144 4.184 1.00 55.13 H new ATOM 0 HB2 GLU A 69 18.508 13.486 2.585 1.00 70.02 H new ATOM 0 HB3 GLU A 69 17.716 13.540 4.147 1.00 70.02 H new ATOM 0 HG2 GLU A 69 16.355 15.418 2.504 1.00 45.44 H new ATOM 0 HG3 GLU A 69 16.605 13.993 1.515 1.00 45.44 H new ATOM 1051 N LEU A 70 18.254 16.824 1.651 1.00 73.41 N ATOM 1052 CA LEU A 70 18.597 17.517 0.414 1.00 13.22 C ATOM 1053 C LEU A 70 18.269 19.003 0.514 1.00 14.44 C ATOM 1054 O LEU A 70 18.103 19.684 -0.498 1.00 71.44 O ATOM 1055 CB LEU A 70 17.848 16.896 -0.766 1.00 52.44 C ATOM 1056 CG LEU A 70 16.421 17.396 -0.994 1.00 12.52 C ATOM 1057 CD1 LEU A 70 16.063 17.337 -2.471 1.00 5.22 C ATOM 1058 CD2 LEU A 70 15.433 16.582 -0.171 1.00 52.31 C ATOM 0 H LEU A 70 17.298 16.981 1.971 1.00 73.41 H new ATOM 0 HA LEU A 70 19.670 17.411 0.252 1.00 13.22 H new ATOM 0 HB2 LEU A 70 18.425 17.078 -1.673 1.00 52.44 H new ATOM 0 HB3 LEU A 70 17.814 15.816 -0.621 1.00 52.44 H new ATOM 0 HG LEU A 70 16.365 18.435 -0.670 1.00 12.52 H new ATOM 0 HD11 LEU A 70 15.044 17.697 -2.613 1.00 5.22 H new ATOM 0 HD12 LEU A 70 16.751 17.964 -3.038 1.00 5.22 H new ATOM 0 HD13 LEU A 70 16.137 16.308 -2.822 1.00 5.22 H new ATOM 0 HD21 LEU A 70 14.423 16.952 -0.346 1.00 52.31 H new ATOM 0 HD22 LEU A 70 15.492 15.534 -0.464 1.00 52.31 H new ATOM 0 HD23 LEU A 70 15.676 16.677 0.887 1.00 52.31 H new ATOM 1070 N LYS A 71 18.178 19.502 1.742 1.00 10.55 N ATOM 1071 CA LYS A 71 17.873 20.909 1.977 1.00 44.03 C ATOM 1072 C LYS A 71 18.414 21.778 0.846 1.00 4.52 C ATOM 1073 O LYS A 71 17.806 22.783 0.479 1.00 72.35 O ATOM 1074 CB LYS A 71 18.465 21.365 3.313 1.00 61.44 C ATOM 1075 CG LYS A 71 19.477 20.392 3.893 1.00 33.31 C ATOM 1076 CD LYS A 71 20.654 21.119 4.520 1.00 12.45 C ATOM 1077 CE LYS A 71 21.699 21.490 3.479 1.00 11.44 C ATOM 1078 NZ LYS A 71 22.392 22.764 3.819 1.00 52.15 N ATOM 0 H LYS A 71 18.311 18.953 2.591 1.00 10.55 H new ATOM 0 HA LYS A 71 16.789 21.020 2.011 1.00 44.03 H new ATOM 0 HB2 LYS A 71 18.943 22.335 3.177 1.00 61.44 H new ATOM 0 HB3 LYS A 71 17.656 21.506 4.030 1.00 61.44 H new ATOM 0 HG2 LYS A 71 18.993 19.767 4.643 1.00 33.31 H new ATOM 0 HG3 LYS A 71 19.836 19.727 3.107 1.00 33.31 H new ATOM 0 HD2 LYS A 71 20.301 22.021 5.020 1.00 12.45 H new ATOM 0 HD3 LYS A 71 21.108 20.488 5.284 1.00 12.45 H new ATOM 0 HE2 LYS A 71 22.432 20.688 3.399 1.00 11.44 H new ATOM 0 HE3 LYS A 71 21.222 21.585 2.503 1.00 11.44 H new ATOM 0 HZ1 LYS A 71 22.384 23.395 2.992 1.00 52.15 H new ATOM 0 HZ2 LYS A 71 21.901 23.225 4.612 1.00 52.15 H new ATOM 0 HZ3 LYS A 71 23.375 22.562 4.091 1.00 52.15 H new ATOM 1092 N GLU A 72 19.560 21.384 0.299 1.00 51.43 N ATOM 1093 CA GLU A 72 20.181 22.129 -0.791 1.00 21.44 C ATOM 1094 C GLU A 72 19.123 22.735 -1.708 1.00 1.01 C ATOM 1095 O GLU A 72 19.340 23.783 -2.317 1.00 30.30 O ATOM 1096 CB GLU A 72 21.109 21.217 -1.597 1.00 11.24 C ATOM 1097 CG GLU A 72 20.379 20.336 -2.596 1.00 53.34 C ATOM 1098 CD GLU A 72 21.320 19.450 -3.389 1.00 54.03 C ATOM 1099 OE1 GLU A 72 22.080 18.681 -2.764 1.00 55.41 O ATOM 1100 OE2 GLU A 72 21.295 19.525 -4.636 1.00 3.43 O ATOM 0 H GLU A 72 20.077 20.555 0.592 1.00 51.43 H new ATOM 0 HA GLU A 72 20.767 22.939 -0.356 1.00 21.44 H new ATOM 0 HB2 GLU A 72 21.835 21.831 -2.130 1.00 11.24 H new ATOM 0 HB3 GLU A 72 21.670 20.584 -0.909 1.00 11.24 H new ATOM 0 HG2 GLU A 72 19.659 19.712 -2.066 1.00 53.34 H new ATOM 0 HG3 GLU A 72 19.812 20.965 -3.283 1.00 53.34 H new ATOM 1107 N VAL A 73 17.977 22.068 -1.802 1.00 21.02 N ATOM 1108 CA VAL A 73 16.884 22.540 -2.644 1.00 4.22 C ATOM 1109 C VAL A 73 16.119 23.672 -1.968 1.00 4.33 C ATOM 1110 O VAL A 73 15.841 24.701 -2.583 1.00 74.21 O ATOM 1111 CB VAL A 73 15.903 21.402 -2.981 1.00 22.32 C ATOM 1112 CG1 VAL A 73 14.771 21.914 -3.858 1.00 44.33 C ATOM 1113 CG2 VAL A 73 16.634 20.252 -3.657 1.00 21.41 C ATOM 0 H VAL A 73 17.781 21.199 -1.305 1.00 21.02 H new ATOM 0 HA VAL A 73 17.332 22.908 -3.567 1.00 4.22 H new ATOM 0 HB VAL A 73 15.471 21.032 -2.052 1.00 22.32 H new ATOM 0 HG11 VAL A 73 14.088 21.095 -4.085 1.00 44.33 H new ATOM 0 HG12 VAL A 73 14.231 22.701 -3.332 1.00 44.33 H new ATOM 0 HG13 VAL A 73 15.181 22.313 -4.786 1.00 44.33 H new ATOM 0 HG21 VAL A 73 15.926 19.456 -3.888 1.00 21.41 H new ATOM 0 HG22 VAL A 73 17.096 20.606 -4.579 1.00 21.41 H new ATOM 0 HG23 VAL A 73 17.405 19.868 -2.989 1.00 21.41 H new ATOM 1123 N ALA A 74 15.783 23.476 -0.697 1.00 70.41 N ATOM 1124 CA ALA A 74 15.052 24.481 0.064 1.00 1.11 C ATOM 1125 C ALA A 74 15.859 25.769 0.189 1.00 61.11 C ATOM 1126 O ALA A 74 15.296 26.862 0.238 1.00 22.01 O ATOM 1127 CB ALA A 74 14.696 23.944 1.442 1.00 34.22 C ATOM 0 H ALA A 74 16.006 22.630 -0.173 1.00 70.41 H new ATOM 0 HA ALA A 74 14.132 24.710 -0.474 1.00 1.11 H new ATOM 0 HB1 ALA A 74 14.150 24.705 1.999 1.00 34.22 H new ATOM 0 HB2 ALA A 74 14.074 23.055 1.337 1.00 34.22 H new ATOM 0 HB3 ALA A 74 15.609 23.686 1.979 1.00 34.22 H new ATOM 1133 N GLU A 75 17.180 25.631 0.240 1.00 4.42 N ATOM 1134 CA GLU A 75 18.064 26.785 0.361 1.00 13.30 C ATOM 1135 C GLU A 75 18.040 27.624 -0.913 1.00 51.52 C ATOM 1136 O GLU A 75 18.297 28.828 -0.883 1.00 11.22 O ATOM 1137 CB GLU A 75 19.494 26.331 0.659 1.00 2.42 C ATOM 1138 CG GLU A 75 19.584 25.285 1.757 1.00 4.02 C ATOM 1139 CD GLU A 75 20.815 25.456 2.627 1.00 52.42 C ATOM 1140 OE1 GLU A 75 20.761 26.266 3.577 1.00 61.34 O ATOM 1141 OE2 GLU A 75 21.831 24.782 2.358 1.00 53.21 O ATOM 0 H GLU A 75 17.662 24.733 0.199 1.00 4.42 H new ATOM 0 HA GLU A 75 17.706 27.400 1.187 1.00 13.30 H new ATOM 0 HB2 GLU A 75 19.936 25.928 -0.252 1.00 2.42 H new ATOM 0 HB3 GLU A 75 20.089 27.198 0.945 1.00 2.42 H new ATOM 0 HG2 GLU A 75 18.692 25.341 2.381 1.00 4.02 H new ATOM 0 HG3 GLU A 75 19.597 24.292 1.308 1.00 4.02 H new ATOM 1148 N LYS A 76 17.730 26.980 -2.033 1.00 50.12 N ATOM 1149 CA LYS A 76 17.671 27.665 -3.319 1.00 63.22 C ATOM 1150 C LYS A 76 16.398 28.496 -3.435 1.00 75.14 C ATOM 1151 O LYS A 76 16.374 29.521 -4.118 1.00 34.43 O ATOM 1152 CB LYS A 76 17.738 26.651 -4.463 1.00 75.25 C ATOM 1153 CG LYS A 76 16.373 26.214 -4.969 1.00 44.52 C ATOM 1154 CD LYS A 76 16.418 24.813 -5.554 1.00 72.30 C ATOM 1155 CE LYS A 76 16.197 24.829 -7.059 1.00 1.32 C ATOM 1156 NZ LYS A 76 16.280 23.464 -7.647 1.00 21.43 N ATOM 0 H LYS A 76 17.516 25.984 -2.076 1.00 50.12 H new ATOM 0 HA LYS A 76 18.528 28.335 -3.385 1.00 63.22 H new ATOM 0 HB2 LYS A 76 18.301 27.085 -5.289 1.00 75.25 H new ATOM 0 HB3 LYS A 76 18.290 25.773 -4.127 1.00 75.25 H new ATOM 0 HG2 LYS A 76 15.654 26.245 -4.151 1.00 44.52 H new ATOM 0 HG3 LYS A 76 16.023 26.915 -5.727 1.00 44.52 H new ATOM 0 HD2 LYS A 76 17.382 24.356 -5.332 1.00 72.30 H new ATOM 0 HD3 LYS A 76 15.655 24.195 -5.080 1.00 72.30 H new ATOM 0 HE2 LYS A 76 15.220 25.260 -7.278 1.00 1.32 H new ATOM 0 HE3 LYS A 76 16.941 25.472 -7.528 1.00 1.32 H new ATOM 0 HZ1 LYS A 76 16.911 23.480 -8.474 1.00 21.43 H new ATOM 0 HZ2 LYS A 76 16.655 22.803 -6.938 1.00 21.43 H new ATOM 0 HZ3 LYS A 76 15.332 23.155 -7.941 1.00 21.43 H new ATOM 1170 N TYR A 77 15.342 28.049 -2.765 1.00 32.05 N ATOM 1171 CA TYR A 77 14.064 28.751 -2.794 1.00 4.33 C ATOM 1172 C TYR A 77 13.923 29.676 -1.588 1.00 45.05 C ATOM 1173 O TYR A 77 13.180 30.656 -1.627 1.00 62.53 O ATOM 1174 CB TYR A 77 12.908 27.750 -2.820 1.00 25.20 C ATOM 1175 CG TYR A 77 12.945 26.814 -4.007 1.00 23.32 C ATOM 1176 CD1 TYR A 77 13.365 27.259 -5.254 1.00 71.45 C ATOM 1177 CD2 TYR A 77 12.560 25.485 -3.881 1.00 33.11 C ATOM 1178 CE1 TYR A 77 13.400 26.407 -6.342 1.00 14.21 C ATOM 1179 CE2 TYR A 77 12.593 24.626 -4.962 1.00 55.14 C ATOM 1180 CZ TYR A 77 13.013 25.092 -6.191 1.00 31.13 C ATOM 1181 OH TYR A 77 13.046 24.240 -7.271 1.00 33.12 O ATOM 0 H TYR A 77 15.345 27.203 -2.195 1.00 32.05 H new ATOM 0 HA TYR A 77 14.032 29.356 -3.700 1.00 4.33 H new ATOM 0 HB2 TYR A 77 12.927 27.161 -1.903 1.00 25.20 H new ATOM 0 HB3 TYR A 77 11.965 28.297 -2.828 1.00 25.20 H new ATOM 0 HD1 TYR A 77 13.669 28.288 -5.376 1.00 71.45 H new ATOM 0 HD2 TYR A 77 12.229 25.117 -2.921 1.00 33.11 H new ATOM 0 HE1 TYR A 77 13.729 26.769 -7.305 1.00 14.21 H new ATOM 0 HE2 TYR A 77 12.292 23.595 -4.846 1.00 55.14 H new ATOM 0 HH TYR A 77 12.465 23.470 -7.098 1.00 33.12 H new ATOM 1191 N ASN A 78 14.644 29.357 -0.518 1.00 62.44 N ATOM 1192 CA ASN A 78 14.601 30.158 0.699 1.00 33.04 C ATOM 1193 C ASN A 78 13.375 29.808 1.537 1.00 14.22 C ATOM 1194 O ASN A 78 12.491 30.641 1.742 1.00 24.04 O ATOM 1195 CB ASN A 78 14.588 31.648 0.354 1.00 50.42 C ATOM 1196 CG ASN A 78 15.046 32.514 1.512 1.00 54.33 C ATOM 1197 OD1 ASN A 78 14.342 33.434 1.930 1.00 71.14 O ATOM 1198 ND2 ASN A 78 16.231 32.223 2.036 1.00 54.34 N ATOM 0 H ASN A 78 15.265 28.549 -0.469 1.00 62.44 H new ATOM 0 HA ASN A 78 15.494 29.935 1.283 1.00 33.04 H new ATOM 0 HB2 ASN A 78 15.234 31.825 -0.506 1.00 50.42 H new ATOM 0 HB3 ASN A 78 13.580 31.941 0.061 1.00 50.42 H new ATOM 0 HD21 ASN A 78 16.592 32.771 2.817 1.00 54.34 H new ATOM 0 HD22 ASN A 78 16.780 31.451 1.658 1.00 54.34 H new ATOM 1246 N MET A 82 10.882 24.281 7.328 1.00 21.11 N ATOM 1247 CA MET A 82 9.504 23.914 7.633 1.00 10.34 C ATOM 1248 C MET A 82 8.832 23.270 6.425 1.00 64.10 C ATOM 1249 O MET A 82 9.372 23.256 5.318 1.00 1.55 O ATOM 1250 CB MET A 82 8.712 25.146 8.075 1.00 51.50 C ATOM 1251 CG MET A 82 7.626 25.555 7.093 1.00 43.24 C ATOM 1252 SD MET A 82 7.815 27.253 6.516 1.00 12.31 S ATOM 1253 CE MET A 82 9.409 27.160 5.704 1.00 15.20 C ATOM 0 HA MET A 82 9.519 23.189 8.447 1.00 10.34 H new ATOM 0 HB2 MET A 82 8.257 24.946 9.045 1.00 51.50 H new ATOM 0 HB3 MET A 82 9.400 25.980 8.211 1.00 51.50 H new ATOM 0 HG2 MET A 82 7.643 24.880 6.237 1.00 43.24 H new ATOM 0 HG3 MET A 82 6.651 25.443 7.568 1.00 43.24 H new ATOM 0 HE1 MET A 82 9.469 27.927 4.932 1.00 15.20 H new ATOM 0 HE2 MET A 82 10.200 27.319 6.437 1.00 15.20 H new ATOM 0 HE3 MET A 82 9.529 26.177 5.249 1.00 15.20 H new ATOM 1263 N PRO A 83 7.627 22.722 6.639 1.00 52.11 N ATOM 1264 CA PRO A 83 6.856 22.066 5.578 1.00 10.15 C ATOM 1265 C PRO A 83 6.331 23.057 4.546 1.00 51.44 C ATOM 1266 O PRO A 83 5.216 22.914 4.042 1.00 62.01 O ATOM 1267 CB PRO A 83 5.695 21.416 6.335 1.00 55.15 C ATOM 1268 CG PRO A 83 5.540 22.236 7.569 1.00 24.41 C ATOM 1269 CD PRO A 83 6.923 22.701 7.932 1.00 2.53 C ATOM 0 HA PRO A 83 7.462 21.360 5.010 1.00 10.15 H new ATOM 0 HB2 PRO A 83 4.782 21.421 5.739 1.00 55.15 H new ATOM 0 HB3 PRO A 83 5.913 20.376 6.576 1.00 55.15 H new ATOM 0 HG2 PRO A 83 4.877 23.083 7.394 1.00 24.41 H new ATOM 0 HG3 PRO A 83 5.101 21.649 8.376 1.00 24.41 H new ATOM 0 HD2 PRO A 83 6.906 23.687 8.396 1.00 2.53 H new ATOM 0 HD3 PRO A 83 7.402 22.024 8.639 1.00 2.53 H new ATOM 1277 N THR A 84 7.141 24.064 4.233 1.00 50.22 N ATOM 1278 CA THR A 84 6.758 25.080 3.260 1.00 32.33 C ATOM 1279 C THR A 84 6.380 24.448 1.926 1.00 73.14 C ATOM 1280 O THR A 84 7.124 23.633 1.380 1.00 32.43 O ATOM 1281 CB THR A 84 7.893 26.095 3.031 1.00 2.24 C ATOM 1282 OG1 THR A 84 7.642 27.289 3.782 1.00 74.34 O ATOM 1283 CG2 THR A 84 8.024 26.436 1.555 1.00 44.42 C ATOM 0 H THR A 84 8.067 24.198 4.640 1.00 50.22 H new ATOM 0 HA THR A 84 5.893 25.601 3.671 1.00 32.33 H new ATOM 0 HB THR A 84 8.827 25.645 3.368 1.00 2.24 H new ATOM 0 HG1 THR A 84 7.290 27.052 4.665 1.00 74.34 H new ATOM 0 HG21 THR A 84 8.832 27.155 1.418 1.00 44.42 H new ATOM 0 HG22 THR A 84 8.244 25.530 0.990 1.00 44.42 H new ATOM 0 HG23 THR A 84 7.090 26.868 1.197 1.00 44.42 H new ATOM 1291 N PHE A 85 5.219 24.830 1.403 1.00 31.32 N ATOM 1292 CA PHE A 85 4.742 24.300 0.131 1.00 32.22 C ATOM 1293 C PHE A 85 5.301 25.106 -1.038 1.00 32.33 C ATOM 1294 O PHE A 85 4.590 25.400 -2.000 1.00 4.10 O ATOM 1295 CB PHE A 85 3.212 24.314 0.090 1.00 44.00 C ATOM 1296 CG PHE A 85 2.608 22.967 -0.188 1.00 14.55 C ATOM 1297 CD1 PHE A 85 2.804 21.911 0.688 1.00 50.43 C ATOM 1298 CD2 PHE A 85 1.843 22.758 -1.324 1.00 21.41 C ATOM 1299 CE1 PHE A 85 2.249 20.671 0.436 1.00 55.15 C ATOM 1300 CE2 PHE A 85 1.285 21.520 -1.581 1.00 71.31 C ATOM 1301 CZ PHE A 85 1.489 20.475 -0.701 1.00 72.10 C ATOM 0 H PHE A 85 4.591 25.505 1.841 1.00 31.32 H new ATOM 0 HA PHE A 85 5.092 23.272 0.040 1.00 32.22 H new ATOM 0 HB2 PHE A 85 2.834 24.683 1.044 1.00 44.00 H new ATOM 0 HB3 PHE A 85 2.883 25.016 -0.676 1.00 44.00 H new ATOM 0 HD1 PHE A 85 3.398 22.059 1.578 1.00 50.43 H new ATOM 0 HD2 PHE A 85 1.681 23.571 -2.016 1.00 21.41 H new ATOM 0 HE1 PHE A 85 2.409 19.856 1.127 1.00 55.15 H new ATOM 0 HE2 PHE A 85 0.690 21.370 -2.469 1.00 71.31 H new ATOM 0 HZ PHE A 85 1.055 19.506 -0.901 1.00 72.10 H new ATOM 1311 N LEU A 86 6.578 25.460 -0.947 1.00 11.11 N ATOM 1312 CA LEU A 86 7.234 26.233 -1.996 1.00 71.20 C ATOM 1313 C LEU A 86 6.685 25.862 -3.370 1.00 20.41 C ATOM 1314 O LEU A 86 6.330 24.709 -3.617 1.00 70.15 O ATOM 1315 CB LEU A 86 8.745 26.001 -1.958 1.00 64.53 C ATOM 1316 CG LEU A 86 9.620 27.225 -2.230 1.00 53.22 C ATOM 1317 CD1 LEU A 86 9.188 27.915 -3.515 1.00 60.53 C ATOM 1318 CD2 LEU A 86 9.561 28.193 -1.058 1.00 12.43 C ATOM 0 H LEU A 86 7.180 25.224 -0.158 1.00 11.11 H new ATOM 0 HA LEU A 86 7.030 27.289 -1.817 1.00 71.20 H new ATOM 0 HB2 LEU A 86 9.007 25.603 -0.977 1.00 64.53 H new ATOM 0 HB3 LEU A 86 8.993 25.232 -2.690 1.00 64.53 H new ATOM 0 HG LEU A 86 10.651 26.892 -2.349 1.00 53.22 H new ATOM 0 HD11 LEU A 86 9.822 28.784 -3.692 1.00 60.53 H new ATOM 0 HD12 LEU A 86 9.282 27.221 -4.350 1.00 60.53 H new ATOM 0 HD13 LEU A 86 8.150 28.236 -3.425 1.00 60.53 H new ATOM 0 HD21 LEU A 86 10.190 29.058 -1.269 1.00 12.43 H new ATOM 0 HD22 LEU A 86 8.532 28.520 -0.908 1.00 12.43 H new ATOM 0 HD23 LEU A 86 9.919 27.695 -0.157 1.00 12.43 H new ATOM 1330 N PHE A 87 6.620 26.845 -4.261 1.00 1.30 N ATOM 1331 CA PHE A 87 6.116 26.622 -5.611 1.00 13.01 C ATOM 1332 C PHE A 87 7.149 27.039 -6.653 1.00 51.34 C ATOM 1333 O PHE A 87 8.025 27.861 -6.380 1.00 72.54 O ATOM 1334 CB PHE A 87 4.815 27.398 -5.827 1.00 34.32 C ATOM 1335 CG PHE A 87 3.649 26.837 -5.064 1.00 73.30 C ATOM 1336 CD1 PHE A 87 3.583 26.957 -3.685 1.00 45.22 C ATOM 1337 CD2 PHE A 87 2.618 26.189 -5.726 1.00 13.53 C ATOM 1338 CE1 PHE A 87 2.512 26.441 -2.981 1.00 1.21 C ATOM 1339 CE2 PHE A 87 1.543 25.672 -5.027 1.00 25.23 C ATOM 1340 CZ PHE A 87 1.490 25.799 -3.653 1.00 22.14 C ATOM 0 H PHE A 87 6.910 27.805 -4.073 1.00 1.30 H new ATOM 0 HA PHE A 87 5.919 25.556 -5.727 1.00 13.01 H new ATOM 0 HB2 PHE A 87 4.967 28.436 -5.531 1.00 34.32 H new ATOM 0 HB3 PHE A 87 4.575 27.401 -6.890 1.00 34.32 H new ATOM 0 HD1 PHE A 87 4.378 27.460 -3.154 1.00 45.22 H new ATOM 0 HD2 PHE A 87 2.655 26.087 -6.801 1.00 13.53 H new ATOM 0 HE1 PHE A 87 2.474 26.540 -1.906 1.00 1.21 H new ATOM 0 HE2 PHE A 87 0.746 25.170 -5.555 1.00 25.23 H new ATOM 0 HZ PHE A 87 0.651 25.397 -3.105 1.00 22.14 H new ATOM 1350 N ILE A 88 7.040 26.467 -7.848 1.00 14.33 N ATOM 1351 CA ILE A 88 7.963 26.780 -8.931 1.00 62.22 C ATOM 1352 C ILE A 88 7.241 26.826 -10.273 1.00 53.33 C ATOM 1353 O ILE A 88 7.280 25.869 -11.046 1.00 64.31 O ATOM 1354 CB ILE A 88 9.106 25.750 -9.011 1.00 52.44 C ATOM 1355 CG1 ILE A 88 9.673 25.476 -7.617 1.00 71.41 C ATOM 1356 CG2 ILE A 88 10.200 26.245 -9.946 1.00 73.00 C ATOM 1357 CD1 ILE A 88 10.672 26.513 -7.156 1.00 43.30 C ATOM 0 H ILE A 88 6.322 25.785 -8.090 1.00 14.33 H new ATOM 0 HA ILE A 88 8.383 27.762 -8.714 1.00 62.22 H new ATOM 0 HB ILE A 88 8.708 24.817 -9.410 1.00 52.44 H new ATOM 0 HG12 ILE A 88 8.852 25.432 -6.902 1.00 71.41 H new ATOM 0 HG13 ILE A 88 10.151 24.496 -7.614 1.00 71.41 H new ATOM 0 HG21 ILE A 88 11.001 25.507 -9.992 1.00 73.00 H new ATOM 0 HG22 ILE A 88 9.786 26.395 -10.943 1.00 73.00 H new ATOM 0 HG23 ILE A 88 10.598 27.189 -9.573 1.00 73.00 H new ATOM 0 HD11 ILE A 88 11.032 26.254 -6.160 1.00 43.30 H new ATOM 0 HD12 ILE A 88 11.513 26.542 -7.849 1.00 43.30 H new ATOM 0 HD13 ILE A 88 10.193 27.492 -7.126 1.00 43.30 H new ATOM 1369 N LYS A 89 6.581 27.947 -10.546 1.00 4.35 N ATOM 1370 CA LYS A 89 5.852 28.122 -11.796 1.00 13.03 C ATOM 1371 C LYS A 89 6.795 28.524 -12.925 1.00 22.12 C ATOM 1372 O LYS A 89 7.463 29.555 -12.851 1.00 3.33 O ATOM 1373 CB LYS A 89 4.759 29.180 -11.629 1.00 1.43 C ATOM 1374 CG LYS A 89 4.254 29.747 -12.945 1.00 24.52 C ATOM 1375 CD LYS A 89 2.741 29.886 -12.948 1.00 63.33 C ATOM 1376 CE LYS A 89 2.231 30.451 -11.632 1.00 55.41 C ATOM 1377 NZ LYS A 89 1.043 31.328 -11.829 1.00 0.12 N ATOM 0 H LYS A 89 6.536 28.749 -9.917 1.00 4.35 H new ATOM 0 HA LYS A 89 5.390 27.169 -12.054 1.00 13.03 H new ATOM 0 HB2 LYS A 89 3.921 28.742 -11.087 1.00 1.43 H new ATOM 0 HB3 LYS A 89 5.145 29.995 -11.016 1.00 1.43 H new ATOM 0 HG2 LYS A 89 4.710 30.721 -13.121 1.00 24.52 H new ATOM 0 HG3 LYS A 89 4.562 29.098 -13.764 1.00 24.52 H new ATOM 0 HD2 LYS A 89 2.436 30.537 -13.767 1.00 63.33 H new ATOM 0 HD3 LYS A 89 2.285 28.912 -13.128 1.00 63.33 H new ATOM 0 HE2 LYS A 89 1.971 29.632 -10.961 1.00 55.41 H new ATOM 0 HE3 LYS A 89 3.026 31.019 -11.148 1.00 55.41 H new ATOM 0 HZ1 LYS A 89 0.725 31.694 -10.909 1.00 0.12 H new ATOM 0 HZ2 LYS A 89 1.298 32.124 -12.448 1.00 0.12 H new ATOM 0 HZ3 LYS A 89 0.276 30.780 -12.267 1.00 0.12 H new ATOM 1391 N ASP A 90 6.844 27.704 -13.969 1.00 54.21 N ATOM 1392 CA ASP A 90 7.703 27.976 -15.115 1.00 64.12 C ATOM 1393 C ASP A 90 9.130 27.504 -14.848 1.00 55.54 C ATOM 1394 O ASP A 90 9.964 27.477 -15.752 1.00 4.54 O ATOM 1395 CB ASP A 90 7.699 29.470 -15.440 1.00 4.51 C ATOM 1396 CG ASP A 90 7.926 29.743 -16.914 1.00 0.32 C ATOM 1397 OD1 ASP A 90 7.379 28.991 -17.747 1.00 0.21 O ATOM 1398 OD2 ASP A 90 8.651 30.708 -17.234 1.00 42.53 O ATOM 0 H ASP A 90 6.299 26.845 -14.045 1.00 54.21 H new ATOM 0 HA ASP A 90 7.311 27.426 -15.970 1.00 64.12 H new ATOM 0 HB2 ASP A 90 6.746 29.902 -15.136 1.00 4.51 H new ATOM 0 HB3 ASP A 90 8.475 29.968 -14.858 1.00 4.51 H new ATOM 1403 N GLY A 91 9.402 27.134 -13.601 1.00 14.44 N ATOM 1404 CA GLY A 91 10.728 26.670 -13.237 1.00 13.41 C ATOM 1405 C GLY A 91 11.536 27.732 -12.518 1.00 24.21 C ATOM 1406 O GLY A 91 12.720 27.917 -12.800 1.00 30.34 O ATOM 0 H GLY A 91 8.728 27.147 -12.836 1.00 14.44 H new ATOM 0 HA2 GLY A 91 10.640 25.791 -12.599 1.00 13.41 H new ATOM 0 HA3 GLY A 91 11.260 26.359 -14.136 1.00 13.41 H new ATOM 1410 N ALA A 92 10.896 28.432 -11.588 1.00 1.25 N ATOM 1411 CA ALA A 92 11.564 29.481 -10.826 1.00 33.50 C ATOM 1412 C ALA A 92 11.072 29.509 -9.383 1.00 32.21 C ATOM 1413 O ALA A 92 11.620 28.827 -8.518 1.00 20.12 O ATOM 1414 CB ALA A 92 11.345 30.834 -11.487 1.00 22.52 C ATOM 0 H ALA A 92 9.916 28.292 -11.343 1.00 1.25 H new ATOM 0 HA ALA A 92 12.632 29.263 -10.814 1.00 33.50 H new ATOM 0 HB1 ALA A 92 11.849 31.608 -10.908 1.00 22.52 H new ATOM 0 HB2 ALA A 92 11.751 30.815 -12.498 1.00 22.52 H new ATOM 0 HB3 ALA A 92 10.277 31.050 -11.529 1.00 22.52 H new ATOM 1420 N GLU A 93 10.036 30.303 -9.131 1.00 74.31 N ATOM 1421 CA GLU A 93 9.472 30.420 -7.791 1.00 72.05 C ATOM 1422 C GLU A 93 8.217 31.289 -7.803 1.00 64.13 C ATOM 1423 O GLU A 93 8.300 32.517 -7.801 1.00 70.34 O ATOM 1424 CB GLU A 93 10.505 31.010 -6.829 1.00 71.32 C ATOM 1425 CG GLU A 93 10.129 30.857 -5.365 1.00 3.52 C ATOM 1426 CD GLU A 93 11.335 30.897 -4.446 1.00 50.50 C ATOM 1427 OE1 GLU A 93 12.394 30.360 -4.832 1.00 12.01 O ATOM 1428 OE2 GLU A 93 11.219 31.467 -3.341 1.00 11.15 O ATOM 0 H GLU A 93 9.571 30.874 -9.836 1.00 74.31 H new ATOM 0 HA GLU A 93 9.198 29.421 -7.451 1.00 72.05 H new ATOM 0 HB2 GLU A 93 11.467 30.527 -7.001 1.00 71.32 H new ATOM 0 HB3 GLU A 93 10.635 32.069 -7.053 1.00 71.32 H new ATOM 0 HG2 GLU A 93 9.438 31.652 -5.086 1.00 3.52 H new ATOM 0 HG3 GLU A 93 9.602 29.913 -5.226 1.00 3.52 H new ATOM 1435 N ALA A 94 7.057 30.642 -7.816 1.00 74.31 N ATOM 1436 CA ALA A 94 5.785 31.354 -7.827 1.00 10.12 C ATOM 1437 C ALA A 94 5.414 31.835 -6.428 1.00 54.53 C ATOM 1438 O ALA A 94 4.836 32.910 -6.264 1.00 43.55 O ATOM 1439 CB ALA A 94 4.687 30.465 -8.390 1.00 35.51 C ATOM 0 H ALA A 94 6.971 29.626 -7.819 1.00 74.31 H new ATOM 0 HA ALA A 94 5.892 32.229 -8.468 1.00 10.12 H new ATOM 0 HB1 ALA A 94 3.743 31.010 -8.392 1.00 35.51 H new ATOM 0 HB2 ALA A 94 4.941 30.175 -9.410 1.00 35.51 H new ATOM 0 HB3 ALA A 94 4.589 29.572 -7.772 1.00 35.51 H new ATOM 1445 N ASP A 95 5.748 31.033 -5.424 1.00 14.34 N ATOM 1446 CA ASP A 95 5.449 31.378 -4.038 1.00 63.13 C ATOM 1447 C ASP A 95 5.502 30.141 -3.147 1.00 72.11 C ATOM 1448 O ASP A 95 5.801 29.040 -3.611 1.00 14.30 O ATOM 1449 CB ASP A 95 4.072 32.035 -3.939 1.00 52.12 C ATOM 1450 CG ASP A 95 4.155 33.548 -3.879 1.00 31.30 C ATOM 1451 OD1 ASP A 95 5.237 34.094 -4.176 1.00 44.24 O ATOM 1452 OD2 ASP A 95 3.138 34.185 -3.534 1.00 34.15 O ATOM 0 H ASP A 95 6.226 30.140 -5.543 1.00 14.34 H new ATOM 0 HA ASP A 95 6.205 32.084 -3.694 1.00 63.13 H new ATOM 0 HB2 ASP A 95 3.470 31.741 -4.799 1.00 52.12 H new ATOM 0 HB3 ASP A 95 3.560 31.667 -3.050 1.00 52.12 H new ATOM 1457 N LYS A 96 5.210 30.329 -1.865 1.00 4.35 N ATOM 1458 CA LYS A 96 5.224 29.230 -0.907 1.00 32.11 C ATOM 1459 C LYS A 96 3.983 29.265 -0.020 1.00 50.34 C ATOM 1460 O LYS A 96 3.208 30.221 -0.058 1.00 73.14 O ATOM 1461 CB LYS A 96 6.484 29.296 -0.041 1.00 61.43 C ATOM 1462 CG LYS A 96 6.532 30.508 0.872 1.00 0.30 C ATOM 1463 CD LYS A 96 7.507 31.555 0.359 1.00 22.50 C ATOM 1464 CE LYS A 96 8.911 31.318 0.894 1.00 21.04 C ATOM 1465 NZ LYS A 96 9.745 32.550 0.828 1.00 60.02 N ATOM 0 H LYS A 96 4.960 31.233 -1.465 1.00 4.35 H new ATOM 0 HA LYS A 96 5.224 28.294 -1.466 1.00 32.11 H new ATOM 0 HB2 LYS A 96 6.546 28.392 0.565 1.00 61.43 H new ATOM 0 HB3 LYS A 96 7.360 29.305 -0.689 1.00 61.43 H new ATOM 0 HG2 LYS A 96 5.536 30.945 0.951 1.00 0.30 H new ATOM 0 HG3 LYS A 96 6.825 30.198 1.875 1.00 0.30 H new ATOM 0 HD2 LYS A 96 7.524 31.536 -0.731 1.00 22.50 H new ATOM 0 HD3 LYS A 96 7.166 32.547 0.655 1.00 22.50 H new ATOM 0 HE2 LYS A 96 8.853 30.974 1.927 1.00 21.04 H new ATOM 0 HE3 LYS A 96 9.389 30.524 0.320 1.00 21.04 H new ATOM 0 HZ1 LYS A 96 10.694 32.347 1.202 1.00 60.02 H new ATOM 0 HZ2 LYS A 96 9.822 32.865 -0.160 1.00 60.02 H new ATOM 0 HZ3 LYS A 96 9.302 33.300 1.397 1.00 60.02 H new ATOM 1479 N VAL A 97 3.802 28.218 0.778 1.00 14.33 N ATOM 1480 CA VAL A 97 2.656 28.131 1.676 1.00 4.24 C ATOM 1481 C VAL A 97 3.035 27.448 2.986 1.00 45.04 C ATOM 1482 O VAL A 97 3.648 28.058 3.862 1.00 12.12 O ATOM 1483 CB VAL A 97 1.491 27.361 1.027 1.00 1.40 C ATOM 1484 CG1 VAL A 97 0.393 27.097 2.045 1.00 34.42 C ATOM 1485 CG2 VAL A 97 0.947 28.128 -0.169 1.00 3.31 C ATOM 0 H VAL A 97 4.434 27.418 0.821 1.00 14.33 H new ATOM 0 HA VAL A 97 2.337 29.153 1.881 1.00 4.24 H new ATOM 0 HB VAL A 97 1.865 26.400 0.674 1.00 1.40 H new ATOM 0 HG11 VAL A 97 -0.422 26.552 1.568 1.00 34.42 H new ATOM 0 HG12 VAL A 97 0.794 26.504 2.867 1.00 34.42 H new ATOM 0 HG13 VAL A 97 0.019 28.045 2.430 1.00 34.42 H new ATOM 0 HG21 VAL A 97 0.124 27.570 -0.616 1.00 3.31 H new ATOM 0 HG22 VAL A 97 0.588 29.104 0.157 1.00 3.31 H new ATOM 0 HG23 VAL A 97 1.738 28.261 -0.907 1.00 3.31 H new ATOM 1495 N VAL A 98 2.668 26.177 3.112 1.00 74.15 N ATOM 1496 CA VAL A 98 2.970 25.409 4.313 1.00 23.14 C ATOM 1497 C VAL A 98 2.222 24.081 4.320 1.00 15.02 C ATOM 1498 O VAL A 98 1.052 24.014 3.943 1.00 65.40 O ATOM 1499 CB VAL A 98 2.610 26.196 5.588 1.00 71.53 C ATOM 1500 CG1 VAL A 98 2.032 25.266 6.644 1.00 62.32 C ATOM 1501 CG2 VAL A 98 3.830 26.931 6.122 1.00 33.33 C ATOM 0 H VAL A 98 2.161 25.657 2.396 1.00 74.15 H new ATOM 0 HA VAL A 98 4.043 25.217 4.304 1.00 23.14 H new ATOM 0 HB VAL A 98 1.850 26.936 5.336 1.00 71.53 H new ATOM 0 HG11 VAL A 98 1.784 25.839 7.537 1.00 62.32 H new ATOM 0 HG12 VAL A 98 1.131 24.790 6.256 1.00 62.32 H new ATOM 0 HG13 VAL A 98 2.766 24.501 6.896 1.00 62.32 H new ATOM 0 HG21 VAL A 98 3.558 27.482 7.022 1.00 33.33 H new ATOM 0 HG22 VAL A 98 4.613 26.211 6.360 1.00 33.33 H new ATOM 0 HG23 VAL A 98 4.194 27.628 5.367 1.00 33.33 H new ATOM 1511 N GLY A 99 2.904 23.025 4.753 1.00 60.03 N ATOM 1512 CA GLY A 99 2.287 21.712 4.801 1.00 3.21 C ATOM 1513 C GLY A 99 1.551 21.465 6.103 1.00 54.44 C ATOM 1514 O GLY A 99 1.646 20.384 6.682 1.00 31.01 O ATOM 0 H GLY A 99 3.873 23.055 5.071 1.00 60.03 H new ATOM 0 HA2 GLY A 99 1.591 21.610 3.969 1.00 3.21 H new ATOM 0 HA3 GLY A 99 3.054 20.948 4.670 1.00 3.21 H new ATOM 1518 N ALA A 100 0.815 22.471 6.564 1.00 10.33 N ATOM 1519 CA ALA A 100 0.059 22.358 7.805 1.00 0.15 C ATOM 1520 C ALA A 100 -1.190 23.233 7.769 1.00 23.44 C ATOM 1521 O ALA A 100 -1.837 23.449 8.794 1.00 73.22 O ATOM 1522 CB ALA A 100 0.934 22.733 8.992 1.00 21.14 C ATOM 0 H ALA A 100 0.726 23.373 6.097 1.00 10.33 H new ATOM 0 HA ALA A 100 -0.259 21.321 7.915 1.00 0.15 H new ATOM 0 HB1 ALA A 100 0.357 22.644 9.912 1.00 21.14 H new ATOM 0 HB2 ALA A 100 1.793 22.064 9.037 1.00 21.14 H new ATOM 0 HB3 ALA A 100 1.280 23.760 8.879 1.00 21.14 H new ATOM 1528 N ARG A 101 -1.522 23.733 6.584 1.00 43.40 N ATOM 1529 CA ARG A 101 -2.692 24.586 6.415 1.00 11.25 C ATOM 1530 C ARG A 101 -3.654 23.993 5.390 1.00 43.32 C ATOM 1531 O ARG A 101 -3.314 23.848 4.215 1.00 22.54 O ATOM 1532 CB ARG A 101 -2.268 25.990 5.981 1.00 51.41 C ATOM 1533 CG ARG A 101 -1.933 26.912 7.142 1.00 0.11 C ATOM 1534 CD ARG A 101 -0.509 27.437 7.044 1.00 71.32 C ATOM 1535 NE ARG A 101 -0.399 28.814 7.518 1.00 31.42 N ATOM 1536 CZ ARG A 101 -0.260 29.141 8.798 1.00 45.10 C ATOM 1537 NH1 ARG A 101 -0.213 28.196 9.726 1.00 23.43 N ATOM 1538 NH2 ARG A 101 -0.166 30.417 9.151 1.00 21.43 N ATOM 0 H ARG A 101 -0.997 23.562 5.726 1.00 43.40 H new ATOM 0 HA ARG A 101 -3.205 24.650 7.374 1.00 11.25 H new ATOM 0 HB2 ARG A 101 -1.399 25.912 5.328 1.00 51.41 H new ATOM 0 HB3 ARG A 101 -3.070 26.437 5.393 1.00 51.41 H new ATOM 0 HG2 ARG A 101 -2.630 27.750 7.156 1.00 0.11 H new ATOM 0 HG3 ARG A 101 -2.060 26.376 8.082 1.00 0.11 H new ATOM 0 HD2 ARG A 101 0.154 26.799 7.628 1.00 71.32 H new ATOM 0 HD3 ARG A 101 -0.173 27.382 6.009 1.00 71.32 H new ATOM 0 HE ARG A 101 -0.431 29.565 6.829 1.00 31.42 H new ATOM 0 HH11 ARG A 101 -0.284 27.214 9.458 1.00 23.43 H new ATOM 0 HH12 ARG A 101 -0.106 28.450 10.708 1.00 23.43 H new ATOM 0 HH21 ARG A 101 -0.201 31.147 8.439 1.00 21.43 H new ATOM 0 HH22 ARG A 101 -0.059 30.668 10.134 1.00 21.43 H new ATOM 1552 N LYS A 102 -4.856 23.652 5.841 1.00 1.44 N ATOM 1553 CA LYS A 102 -5.868 23.076 4.964 1.00 30.14 C ATOM 1554 C LYS A 102 -6.774 24.161 4.391 1.00 4.44 C ATOM 1555 O LYS A 102 -7.833 23.870 3.836 1.00 61.11 O ATOM 1556 CB LYS A 102 -6.707 22.047 5.726 1.00 5.14 C ATOM 1557 CG LYS A 102 -7.284 20.957 4.841 1.00 71.15 C ATOM 1558 CD LYS A 102 -8.610 21.379 4.230 1.00 61.43 C ATOM 1559 CE LYS A 102 -9.543 20.191 4.048 1.00 44.04 C ATOM 1560 NZ LYS A 102 -10.631 20.180 5.063 1.00 34.14 N ATOM 0 H LYS A 102 -5.153 23.765 6.810 1.00 1.44 H new ATOM 0 HA LYS A 102 -5.357 22.581 4.138 1.00 30.14 H new ATOM 0 HB2 LYS A 102 -6.090 21.588 6.498 1.00 5.14 H new ATOM 0 HB3 LYS A 102 -7.523 22.561 6.234 1.00 5.14 H new ATOM 0 HG2 LYS A 102 -6.576 20.719 4.047 1.00 71.15 H new ATOM 0 HG3 LYS A 102 -7.425 20.048 5.426 1.00 71.15 H new ATOM 0 HD2 LYS A 102 -9.086 22.122 4.869 1.00 61.43 H new ATOM 0 HD3 LYS A 102 -8.432 21.855 3.265 1.00 61.43 H new ATOM 0 HE2 LYS A 102 -9.978 20.221 3.049 1.00 44.04 H new ATOM 0 HE3 LYS A 102 -8.971 19.266 4.119 1.00 44.04 H new ATOM 0 HZ1 LYS A 102 -11.245 19.355 4.905 1.00 34.14 H new ATOM 0 HZ2 LYS A 102 -10.217 20.126 6.015 1.00 34.14 H new ATOM 0 HZ3 LYS A 102 -11.193 21.051 4.979 1.00 34.14 H new ATOM 1574 N ASP A 103 -6.349 25.413 4.529 1.00 73.31 N ATOM 1575 CA ASP A 103 -7.121 26.542 4.022 1.00 20.34 C ATOM 1576 C ASP A 103 -6.239 27.480 3.204 1.00 23.44 C ATOM 1577 O ASP A 103 -6.718 28.462 2.638 1.00 1.45 O ATOM 1578 CB ASP A 103 -7.765 27.307 5.180 1.00 61.04 C ATOM 1579 CG ASP A 103 -9.276 27.357 5.071 1.00 32.51 C ATOM 1580 OD1 ASP A 103 -9.782 27.928 4.082 1.00 10.03 O ATOM 1581 OD2 ASP A 103 -9.953 26.823 5.974 1.00 12.15 O ATOM 0 H ASP A 103 -5.475 25.671 4.987 1.00 73.31 H new ATOM 0 HA ASP A 103 -7.905 26.153 3.373 1.00 20.34 H new ATOM 0 HB2 ASP A 103 -7.487 26.835 6.123 1.00 61.04 H new ATOM 0 HB3 ASP A 103 -7.371 28.323 5.204 1.00 61.04 H new ATOM 1586 N ASP A 104 -4.948 27.170 3.148 1.00 72.03 N ATOM 1587 CA ASP A 104 -3.999 27.985 2.399 1.00 5.00 C ATOM 1588 C ASP A 104 -3.431 27.208 1.215 1.00 51.51 C ATOM 1589 O ASP A 104 -3.097 27.789 0.181 1.00 22.30 O ATOM 1590 CB ASP A 104 -2.862 28.450 3.311 1.00 35.05 C ATOM 1591 CG ASP A 104 -2.474 29.894 3.062 1.00 23.11 C ATOM 1592 OD1 ASP A 104 -2.187 30.239 1.896 1.00 23.43 O ATOM 1593 OD2 ASP A 104 -2.457 30.680 4.032 1.00 32.54 O ATOM 0 H ASP A 104 -4.535 26.361 3.612 1.00 72.03 H new ATOM 0 HA ASP A 104 -4.529 28.858 2.018 1.00 5.00 H new ATOM 0 HB2 ASP A 104 -3.164 28.332 4.352 1.00 35.05 H new ATOM 0 HB3 ASP A 104 -1.992 27.811 3.157 1.00 35.05 H new ATOM 1598 N LEU A 105 -3.324 25.894 1.373 1.00 60.11 N ATOM 1599 CA LEU A 105 -2.796 25.037 0.317 1.00 23.11 C ATOM 1600 C LEU A 105 -3.669 25.109 -0.931 1.00 52.42 C ATOM 1601 O LEU A 105 -3.285 25.710 -1.934 1.00 52.13 O ATOM 1602 CB LEU A 105 -2.704 23.590 0.806 1.00 44.24 C ATOM 1603 CG LEU A 105 -2.598 22.520 -0.282 1.00 14.15 C ATOM 1604 CD1 LEU A 105 -1.184 22.461 -0.838 1.00 12.34 C ATOM 1605 CD2 LEU A 105 -3.016 21.162 0.264 1.00 4.35 C ATOM 0 H LEU A 105 -3.596 25.398 2.222 1.00 60.11 H new ATOM 0 HA LEU A 105 -1.798 25.392 0.060 1.00 23.11 H new ATOM 0 HB2 LEU A 105 -1.836 23.503 1.459 1.00 44.24 H new ATOM 0 HB3 LEU A 105 -3.583 23.376 1.414 1.00 44.24 H new ATOM 0 HG LEU A 105 -3.274 22.787 -1.094 1.00 14.15 H new ATOM 0 HD11 LEU A 105 -1.129 21.694 -1.611 1.00 12.34 H new ATOM 0 HD12 LEU A 105 -0.921 23.428 -1.267 1.00 12.34 H new ATOM 0 HD13 LEU A 105 -0.487 22.219 -0.036 1.00 12.34 H new ATOM 0 HD21 LEU A 105 -2.935 20.413 -0.523 1.00 4.35 H new ATOM 0 HD22 LEU A 105 -2.366 20.888 1.095 1.00 4.35 H new ATOM 0 HD23 LEU A 105 -4.048 21.212 0.612 1.00 4.35 H new ATOM 1617 N GLN A 106 -4.846 24.495 -0.860 1.00 41.44 N ATOM 1618 CA GLN A 106 -5.774 24.492 -1.985 1.00 12.22 C ATOM 1619 C GLN A 106 -5.959 25.900 -2.542 1.00 33.21 C ATOM 1620 O GLN A 106 -6.125 26.084 -3.747 1.00 21.21 O ATOM 1621 CB GLN A 106 -7.126 23.919 -1.556 1.00 21.23 C ATOM 1622 CG GLN A 106 -7.673 24.539 -0.280 1.00 42.43 C ATOM 1623 CD GLN A 106 -7.726 23.555 0.871 1.00 4.15 C ATOM 1624 OE1 GLN A 106 -8.688 22.800 1.014 1.00 23.12 O ATOM 1625 NE2 GLN A 106 -6.689 23.558 1.701 1.00 1.22 N ATOM 0 H GLN A 106 -5.179 23.994 -0.036 1.00 41.44 H new ATOM 0 HA GLN A 106 -5.353 23.863 -2.769 1.00 12.22 H new ATOM 0 HB2 GLN A 106 -7.846 24.069 -2.360 1.00 21.23 H new ATOM 0 HB3 GLN A 106 -7.026 22.843 -1.413 1.00 21.23 H new ATOM 0 HG2 GLN A 106 -7.051 25.389 0.002 1.00 42.43 H new ATOM 0 HG3 GLN A 106 -8.675 24.926 -0.469 1.00 42.43 H new ATOM 0 HE21 GLN A 106 -5.913 24.201 1.545 1.00 1.22 H new ATOM 0 HE22 GLN A 106 -6.669 22.917 2.495 1.00 1.22 H new ATOM 1634 N ASN A 107 -5.930 26.890 -1.656 1.00 14.11 N ATOM 1635 CA ASN A 107 -6.096 28.282 -2.059 1.00 71.35 C ATOM 1636 C ASN A 107 -4.925 28.741 -2.923 1.00 22.14 C ATOM 1637 O ASN A 107 -5.074 29.614 -3.779 1.00 21.34 O ATOM 1638 CB ASN A 107 -6.219 29.181 -0.827 1.00 74.55 C ATOM 1639 CG ASN A 107 -5.987 30.643 -1.153 1.00 51.33 C ATOM 1640 OD1 ASN A 107 -6.772 31.263 -1.872 1.00 23.13 O ATOM 1641 ND2 ASN A 107 -4.905 31.202 -0.625 1.00 45.20 N ATOM 0 H ASN A 107 -5.793 26.754 -0.654 1.00 14.11 H new ATOM 0 HA ASN A 107 -7.010 28.357 -2.647 1.00 71.35 H new ATOM 0 HB2 ASN A 107 -7.211 29.062 -0.391 1.00 74.55 H new ATOM 0 HB3 ASN A 107 -5.499 28.861 -0.074 1.00 74.55 H new ATOM 0 HD21 ASN A 107 -4.696 32.183 -0.809 1.00 45.20 H new ATOM 0 HD22 ASN A 107 -4.282 30.650 -0.035 1.00 45.20 H new ATOM 1648 N THR A 108 -3.758 28.147 -2.692 1.00 71.53 N ATOM 1649 CA THR A 108 -2.561 28.494 -3.447 1.00 50.05 C ATOM 1650 C THR A 108 -2.500 27.728 -4.764 1.00 24.22 C ATOM 1651 O THR A 108 -2.192 28.298 -5.811 1.00 3.12 O ATOM 1652 CB THR A 108 -1.283 28.205 -2.638 1.00 43.12 C ATOM 1653 OG1 THR A 108 -1.147 29.160 -1.579 1.00 61.54 O ATOM 1654 CG2 THR A 108 -0.053 28.254 -3.533 1.00 12.23 C ATOM 0 H THR A 108 -3.617 27.423 -1.988 1.00 71.53 H new ATOM 0 HA THR A 108 -2.617 29.563 -3.654 1.00 50.05 H new ATOM 0 HB THR A 108 -1.366 27.204 -2.215 1.00 43.12 H new ATOM 0 HG1 THR A 108 -1.744 28.917 -0.841 1.00 61.54 H new ATOM 0 HG21 THR A 108 0.837 28.047 -2.939 1.00 12.23 H new ATOM 0 HG22 THR A 108 -0.146 27.506 -4.321 1.00 12.23 H new ATOM 0 HG23 THR A 108 0.032 29.244 -3.981 1.00 12.23 H new ATOM 1662 N ILE A 109 -2.795 26.434 -4.704 1.00 23.30 N ATOM 1663 CA ILE A 109 -2.774 25.590 -5.893 1.00 15.33 C ATOM 1664 C ILE A 109 -3.736 26.114 -6.954 1.00 61.54 C ATOM 1665 O ILE A 109 -3.550 25.875 -8.148 1.00 22.03 O ATOM 1666 CB ILE A 109 -3.143 24.133 -5.556 1.00 11.44 C ATOM 1667 CG1 ILE A 109 -1.953 23.419 -4.913 1.00 24.21 C ATOM 1668 CG2 ILE A 109 -3.596 23.398 -6.808 1.00 42.33 C ATOM 1669 CD1 ILE A 109 -1.724 23.805 -3.468 1.00 72.22 C ATOM 0 H ILE A 109 -3.051 25.947 -3.845 1.00 23.30 H new ATOM 0 HA ILE A 109 -1.756 25.617 -6.282 1.00 15.33 H new ATOM 0 HB ILE A 109 -3.968 24.138 -4.844 1.00 11.44 H new ATOM 0 HG12 ILE A 109 -2.111 22.342 -4.972 1.00 24.21 H new ATOM 0 HG13 ILE A 109 -1.053 23.641 -5.487 1.00 24.21 H new ATOM 0 HG21 ILE A 109 -3.853 22.370 -6.553 1.00 42.33 H new ATOM 0 HG22 ILE A 109 -4.470 23.897 -7.227 1.00 42.33 H new ATOM 0 HG23 ILE A 109 -2.790 23.399 -7.542 1.00 42.33 H new ATOM 0 HD11 ILE A 109 -0.865 23.260 -3.078 1.00 72.22 H new ATOM 0 HD12 ILE A 109 -1.534 24.876 -3.403 1.00 72.22 H new ATOM 0 HD13 ILE A 109 -2.608 23.557 -2.881 1.00 72.22 H new ATOM 1681 N VAL A 110 -4.764 26.830 -6.512 1.00 54.20 N ATOM 1682 CA VAL A 110 -5.754 27.391 -7.424 1.00 73.51 C ATOM 1683 C VAL A 110 -5.235 28.662 -8.085 1.00 43.13 C ATOM 1684 O VAL A 110 -5.617 28.992 -9.208 1.00 45.23 O ATOM 1685 CB VAL A 110 -7.074 27.707 -6.695 1.00 62.51 C ATOM 1686 CG1 VAL A 110 -7.650 26.448 -6.064 1.00 1.21 C ATOM 1687 CG2 VAL A 110 -6.857 28.787 -5.647 1.00 13.51 C ATOM 0 H VAL A 110 -4.934 27.036 -5.527 1.00 54.20 H new ATOM 0 HA VAL A 110 -5.941 26.638 -8.189 1.00 73.51 H new ATOM 0 HB VAL A 110 -7.792 28.080 -7.425 1.00 62.51 H new ATOM 0 HG11 VAL A 110 -8.582 26.691 -5.554 1.00 1.21 H new ATOM 0 HG12 VAL A 110 -7.843 25.708 -6.840 1.00 1.21 H new ATOM 0 HG13 VAL A 110 -6.938 26.043 -5.345 1.00 1.21 H new ATOM 0 HG21 VAL A 110 -7.799 28.998 -5.142 1.00 13.51 H new ATOM 0 HG22 VAL A 110 -6.123 28.444 -4.918 1.00 13.51 H new ATOM 0 HG23 VAL A 110 -6.493 29.694 -6.129 1.00 13.51 H new ATOM 1697 N LYS A 111 -4.360 29.373 -7.382 1.00 13.43 N ATOM 1698 CA LYS A 111 -3.785 30.609 -7.900 1.00 11.03 C ATOM 1699 C LYS A 111 -2.629 30.314 -8.850 1.00 4.54 C ATOM 1700 O LYS A 111 -2.340 31.099 -9.754 1.00 24.21 O ATOM 1701 CB LYS A 111 -3.301 31.492 -6.748 1.00 3.42 C ATOM 1702 CG LYS A 111 -1.810 31.380 -6.481 1.00 3.13 C ATOM 1703 CD LYS A 111 -1.469 31.764 -5.051 1.00 0.34 C ATOM 1704 CE LYS A 111 -1.077 33.230 -4.945 1.00 51.25 C ATOM 1705 NZ LYS A 111 -0.810 33.633 -3.537 1.00 14.40 N ATOM 0 H LYS A 111 -4.033 29.114 -6.451 1.00 13.43 H new ATOM 0 HA LYS A 111 -4.561 31.138 -8.453 1.00 11.03 H new ATOM 0 HB2 LYS A 111 -3.545 32.531 -6.970 1.00 3.42 H new ATOM 0 HB3 LYS A 111 -3.845 31.224 -5.842 1.00 3.42 H new ATOM 0 HG2 LYS A 111 -1.481 30.359 -6.673 1.00 3.13 H new ATOM 0 HG3 LYS A 111 -1.266 32.025 -7.171 1.00 3.13 H new ATOM 0 HD2 LYS A 111 -2.326 31.568 -4.407 1.00 0.34 H new ATOM 0 HD3 LYS A 111 -0.650 31.141 -4.691 1.00 0.34 H new ATOM 0 HE2 LYS A 111 -0.189 33.413 -5.550 1.00 51.25 H new ATOM 0 HE3 LYS A 111 -1.875 33.850 -5.355 1.00 51.25 H new ATOM 0 HZ1 LYS A 111 -0.546 34.639 -3.508 1.00 14.40 H new ATOM 0 HZ2 LYS A 111 -1.665 33.483 -2.965 1.00 14.40 H new ATOM 0 HZ3 LYS A 111 -0.032 33.060 -3.153 1.00 14.40 H new ATOM 1719 N HIS A 112 -1.971 29.179 -8.639 1.00 64.34 N ATOM 1720 CA HIS A 112 -0.846 28.780 -9.479 1.00 34.21 C ATOM 1721 C HIS A 112 -1.273 27.722 -10.492 1.00 33.33 C ATOM 1722 O HIS A 112 -0.965 27.824 -11.679 1.00 52.12 O ATOM 1723 CB HIS A 112 0.297 28.245 -8.616 1.00 70.12 C ATOM 1724 CG HIS A 112 0.708 29.179 -7.520 1.00 33.12 C ATOM 1725 ND1 HIS A 112 1.059 28.936 -6.235 1.00 45.34 N flip ATOM 1726 CD2 HIS A 112 0.789 30.545 -7.686 1.00 42.34 C flip ATOM 1727 CE1 HIS A 112 1.345 30.148 -5.656 1.00 62.45 C flip ATOM 1728 NE2 HIS A 112 1.175 31.103 -6.552 1.00 22.13 N flip ATOM 0 H HIS A 112 -2.197 28.519 -7.894 1.00 64.34 H new ATOM 0 HA HIS A 112 -0.500 29.659 -10.023 1.00 34.21 H new ATOM 0 HB2 HIS A 112 -0.004 27.294 -8.177 1.00 70.12 H new ATOM 0 HB3 HIS A 112 1.159 28.044 -9.253 1.00 70.12 H new ATOM 0 HD1 HIS A 112 1.103 28.023 -5.782 1.00 45.34 H new ATOM 0 HD2 HIS A 112 0.571 31.077 -8.601 1.00 42.34 H new ATOM 0 HE1 HIS A 112 1.658 30.296 -4.633 1.00 62.45 H new ATOM 1736 N VAL A 113 -1.984 26.705 -10.014 1.00 62.32 N ATOM 1737 CA VAL A 113 -2.453 25.628 -10.878 1.00 32.23 C ATOM 1738 C VAL A 113 -3.876 25.890 -11.360 1.00 4.33 C ATOM 1739 O VAL A 113 -4.259 25.473 -12.451 1.00 73.34 O ATOM 1740 CB VAL A 113 -2.411 24.269 -10.154 1.00 23.12 C ATOM 1741 CG1 VAL A 113 -2.425 23.128 -11.159 1.00 60.52 C ATOM 1742 CG2 VAL A 113 -1.187 24.183 -9.254 1.00 61.15 C ATOM 0 H VAL A 113 -2.248 26.605 -9.034 1.00 62.32 H new ATOM 0 HA VAL A 113 -1.782 25.596 -11.736 1.00 32.23 H new ATOM 0 HB VAL A 113 -3.300 24.182 -9.529 1.00 23.12 H new ATOM 0 HG11 VAL A 113 -2.395 22.176 -10.629 1.00 60.52 H new ATOM 0 HG12 VAL A 113 -3.334 23.181 -11.758 1.00 60.52 H new ATOM 0 HG13 VAL A 113 -1.556 23.207 -11.812 1.00 60.52 H new ATOM 0 HG21 VAL A 113 -1.173 23.217 -8.750 1.00 61.15 H new ATOM 0 HG22 VAL A 113 -0.285 24.292 -9.856 1.00 61.15 H new ATOM 0 HG23 VAL A 113 -1.225 24.979 -8.511 1.00 61.15 H new ATOM 1752 N GLY A 114 -4.655 26.586 -10.537 1.00 4.40 N ATOM 1753 CA GLY A 114 -6.027 26.893 -10.897 1.00 5.31 C ATOM 1754 C GLY A 114 -6.126 28.055 -11.865 1.00 42.50 C ATOM 1755 O GLY A 114 -7.194 28.327 -12.412 1.00 33.21 O ATOM 0 H GLY A 114 -4.360 26.942 -9.628 1.00 4.40 H new ATOM 0 HA2 GLY A 114 -6.488 26.012 -11.343 1.00 5.31 H new ATOM 0 HA3 GLY A 114 -6.593 27.126 -9.995 1.00 5.31 H new ATOM 1759 N ALA A 115 -5.009 28.745 -12.076 1.00 73.32 N ATOM 1760 CA ALA A 115 -4.975 29.884 -12.985 1.00 71.20 C ATOM 1761 C ALA A 115 -6.255 30.707 -12.882 1.00 24.10 C ATOM 1762 O ALA A 115 -6.805 31.148 -13.891 1.00 41.34 O ATOM 1763 CB ALA A 115 -4.763 29.411 -14.416 1.00 1.33 C ATOM 0 H ALA A 115 -4.116 28.535 -11.630 1.00 73.32 H new ATOM 0 HA ALA A 115 -4.140 30.522 -12.697 1.00 71.20 H new ATOM 0 HB1 ALA A 115 -4.740 30.272 -15.084 1.00 1.33 H new ATOM 0 HB2 ALA A 115 -3.818 28.872 -14.485 1.00 1.33 H new ATOM 0 HB3 ALA A 115 -5.579 28.749 -14.705 1.00 1.33 H new