USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 855 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 21 ASN : amide:sc= -1.21 K(o=-1.2,f=-8.6!) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -5.12! C(o=-4.5!,f=-25!) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.617 USER MOD Set 3.1: A 71 HIS : no HE2:sc= -5.63! C(o=-6!,f=-19!) USER MOD Set 3.2: A 73 TYR OH : rot -65:sc= -0.355! USER MOD Set 4.1: A 60 SER OG : rot -31:sc= -0.513! USER MOD Set 4.2: A 62 LYS NZ :NH3+ -108:sc= -0.416! (180deg=-2.39!) USER MOD Set 5.1: A 35 THR OG1 : rot -39:sc= 1.09! USER MOD Set 5.2: A 82 LYS NZ :NH3+ -167:sc= 1.03! (180deg=0.607) USER MOD Single : A 5 SER OG : rot 0:sc= 0.849 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 9 GLN : amide:sc= -6.42! K(o=-6.4!,f=-2) USER MOD Single : A 12 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.2!) USER MOD Single : A 16 SER OG : rot -109:sc= 1.15 USER MOD Single : A 17 MET CE :methyl 174:sc= -0.159 (180deg=-0.247) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc=-0.00451 (180deg=-0.243) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.143 (180deg=-0.759) USER MOD Single : A 26 SER OG : rot 86:sc= 1.03 USER MOD Single : A 29 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.17) USER MOD Single : A 30 CYS SG : rot 170:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= -0.0763 (180deg=-0.559) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.425 (180deg=-1.47!) USER MOD Single : A 43 TYR OH : rot -171:sc= -0.596 USER MOD Single : A 61 THR OG1 : rot -174:sc= -2.28! USER MOD Single : A 63 LYS NZ :NH3+ -105:sc= 0.628 (180deg=-1.67!) USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= 0.181 (180deg=-3.81!) USER MOD Single : A 70 THR OG1 : rot 137:sc= 1.22 USER MOD Single : A 72 HIS : no HD1:sc= -9.17! C(o=-9.2!,f=-19!) USER MOD Single : A 74 MET CE :methyl 149:sc= -2.05 (180deg=-4.48!) USER MOD Single : A 77 HIS : no HE2:sc= -9.53! C(o=-9.5!,f=-19!) USER MOD Single : A 80 SER OG : rot 64:sc= -1.37! USER MOD Single : A 81 LYS NZ :NH3+ 139:sc= 0.0643! (180deg=-2.95!) USER MOD Single : A 83 LYS NZ :NH3+ 154:sc= 0.725 (180deg=0.0979) USER MOD Single : A 92 LYS NZ :NH3+ 148:sc= -2.85! (180deg=-6.8!) USER MOD Single : A 94 SER OG : rot 122:sc= -0.375! USER MOD Single : A 99 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.3) USER MOD Single : A 104 ASN : amide:sc= -2.8 K(o=-2.8,f=-1.1) USER MOD Single : A 105 MET CE :methyl 157:sc= -4.87! (180deg=-6.39!) USER MOD Single : A 113 LYS NZ :NH3+ -160:sc= -0.217 (180deg=-0.662) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -147:sc= -0.082 (180deg=-1.03) USER MOD Single : A 121 LYS NZ :NH3+ -143:sc= 0.558 (180deg=-2.68!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.532 -2.289 16.025 1.00 0.00 N ATOM 43 CA SER A 5 1.232 -0.980 15.444 1.00 0.00 C ATOM 44 C SER A 5 2.081 -0.661 14.208 1.00 0.00 C ATOM 45 O SER A 5 1.857 0.354 13.563 1.00 0.00 O ATOM 46 CB SER A 5 1.382 0.141 16.487 1.00 0.00 C ATOM 47 OG SER A 5 1.689 -0.426 17.765 1.00 0.00 O ATOM 0 HA SER A 5 0.193 -1.031 15.118 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.172 0.829 16.185 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.461 0.720 16.547 1.00 0.00 H new ATOM 0 HG SER A 5 1.736 -1.402 17.687 1.00 0.00 H new ATOM 53 N GLY A 6 3.036 -1.517 13.879 1.00 0.00 N ATOM 54 CA GLY A 6 3.911 -1.268 12.734 1.00 0.00 C ATOM 55 C GLY A 6 3.105 -1.071 11.464 1.00 0.00 C ATOM 56 O GLY A 6 2.922 0.054 11.001 1.00 0.00 O ATOM 0 H GLY A 6 3.227 -2.384 14.381 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.520 -0.384 12.923 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.597 -2.106 12.607 1.00 0.00 H new ATOM 60 N ASP A 7 2.516 -2.143 10.972 1.00 0.00 N ATOM 61 CA ASP A 7 1.662 -2.058 9.794 1.00 0.00 C ATOM 62 C ASP A 7 0.483 -1.157 10.058 1.00 0.00 C ATOM 63 O ASP A 7 0.054 -0.427 9.176 1.00 0.00 O ATOM 64 CB ASP A 7 1.183 -3.441 9.333 1.00 0.00 C ATOM 65 CG ASP A 7 0.983 -4.359 10.514 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.228 -4.014 11.396 1.00 0.00 O ATOM 67 OD2 ASP A 7 1.609 -5.392 10.537 1.00 0.00 O ATOM 0 H ASP A 7 2.609 -3.080 11.364 1.00 0.00 H new ATOM 0 HA ASP A 7 2.261 -1.632 8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.248 -3.342 8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.913 -3.874 8.649 1.00 0.00 H new ATOM 72 N THR A 8 0.006 -1.158 11.281 1.00 0.00 N ATOM 73 CA THR A 8 -1.098 -0.298 11.648 1.00 0.00 C ATOM 74 C THR A 8 -0.695 1.159 11.415 1.00 0.00 C ATOM 75 O THR A 8 -1.371 1.899 10.688 1.00 0.00 O ATOM 76 CB THR A 8 -1.414 -0.509 13.133 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.448 -1.907 13.423 1.00 0.00 O ATOM 78 CG2 THR A 8 -2.763 0.126 13.492 1.00 0.00 C ATOM 0 H THR A 8 0.363 -1.742 12.037 1.00 0.00 H new ATOM 0 HA THR A 8 -1.976 -0.534 11.046 1.00 0.00 H new ATOM 0 HB THR A 8 -0.635 -0.032 13.727 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.648 -2.039 14.373 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.970 -0.034 14.550 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.728 1.196 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.551 -0.332 12.895 1.00 0.00 H new ATOM 86 N GLN A 9 0.463 1.535 11.941 1.00 0.00 N ATOM 87 CA GLN A 9 0.979 2.868 11.730 1.00 0.00 C ATOM 88 C GLN A 9 1.337 3.076 10.285 1.00 0.00 C ATOM 89 O GLN A 9 1.034 4.122 9.698 1.00 0.00 O ATOM 90 CB GLN A 9 2.208 3.120 12.608 1.00 0.00 C ATOM 91 CG GLN A 9 1.762 3.458 14.031 1.00 0.00 C ATOM 92 CD GLN A 9 1.162 4.863 14.071 1.00 0.00 C ATOM 93 OE1 GLN A 9 0.872 5.384 15.146 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.964 5.512 12.954 1.00 0.00 N ATOM 0 H GLN A 9 1.056 0.934 12.514 1.00 0.00 H new ATOM 0 HA GLN A 9 0.198 3.576 12.006 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.848 2.238 12.617 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.799 3.939 12.197 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.027 2.730 14.373 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.611 3.397 14.711 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.205 5.079 12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.568 6.452 12.974 1.00 0.00 H new ATOM 103 N LEU A 10 2.011 2.094 9.713 1.00 0.00 N ATOM 104 CA LEU A 10 2.443 2.203 8.344 1.00 0.00 C ATOM 105 C LEU A 10 1.246 2.285 7.430 1.00 0.00 C ATOM 106 O LEU A 10 1.228 3.081 6.509 1.00 0.00 O ATOM 107 CB LEU A 10 3.355 1.052 7.944 1.00 0.00 C ATOM 108 CG LEU A 10 4.647 1.103 8.782 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.567 -0.029 8.373 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.373 2.445 8.619 1.00 0.00 C ATOM 0 H LEU A 10 2.266 1.222 10.176 1.00 0.00 H new ATOM 0 HA LEU A 10 3.026 3.119 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.846 0.101 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.595 1.116 6.883 1.00 0.00 H new ATOM 0 HG LEU A 10 4.371 0.996 9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.479 0.011 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.066 -0.983 8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.818 0.070 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.279 2.444 9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.637 2.591 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.720 3.254 8.945 1.00 0.00 H new ATOM 122 N PHE A 11 0.220 1.507 7.732 1.00 0.00 N ATOM 123 CA PHE A 11 -1.022 1.553 6.972 1.00 0.00 C ATOM 124 C PHE A 11 -1.611 2.950 7.005 1.00 0.00 C ATOM 125 O PHE A 11 -1.940 3.520 5.964 1.00 0.00 O ATOM 126 CB PHE A 11 -2.030 0.563 7.564 1.00 0.00 C ATOM 127 CG PHE A 11 -3.405 0.819 6.986 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.754 0.326 5.725 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.329 1.569 7.726 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.027 0.583 5.207 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.598 1.824 7.210 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.949 1.332 5.949 1.00 0.00 C ATOM 0 H PHE A 11 0.221 0.834 8.499 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.806 1.282 5.938 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.719 -0.459 7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.058 0.664 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.043 -0.251 5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.057 1.950 8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.300 0.203 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.309 2.401 7.783 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.932 1.530 5.547 1.00 0.00 H new ATOM 142 N ASN A 12 -1.697 3.521 8.196 1.00 0.00 N ATOM 143 CA ASN A 12 -2.250 4.867 8.342 1.00 0.00 C ATOM 144 C ASN A 12 -1.391 5.842 7.583 1.00 0.00 C ATOM 145 O ASN A 12 -1.889 6.697 6.830 1.00 0.00 O ATOM 146 CB ASN A 12 -2.259 5.262 9.815 1.00 0.00 C ATOM 147 CG ASN A 12 -3.272 4.429 10.571 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.323 4.077 10.024 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.017 4.071 11.786 1.00 0.00 N ATOM 0 H ASN A 12 -1.397 3.084 9.068 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.268 4.882 7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.267 5.120 10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.500 6.320 9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.685 3.495 12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.148 4.364 12.232 1.00 0.00 H new ATOM 156 N ARG A 13 -0.100 5.670 7.726 1.00 0.00 N ATOM 157 CA ARG A 13 0.850 6.461 6.993 1.00 0.00 C ATOM 158 C ARG A 13 0.737 6.177 5.497 1.00 0.00 C ATOM 159 O ARG A 13 0.724 7.084 4.695 1.00 0.00 O ATOM 160 CB ARG A 13 2.255 6.147 7.503 1.00 0.00 C ATOM 161 CG ARG A 13 2.448 6.756 8.910 1.00 0.00 C ATOM 162 CD ARG A 13 3.765 6.244 9.502 1.00 0.00 C ATOM 163 NE ARG A 13 4.353 7.172 10.473 1.00 0.00 N ATOM 164 CZ ARG A 13 3.759 7.563 11.595 1.00 0.00 C ATOM 165 NH1 ARG A 13 2.510 7.278 11.821 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.428 8.278 12.446 1.00 0.00 N ATOM 0 H ARG A 13 0.318 4.981 8.351 1.00 0.00 H new ATOM 0 HA ARG A 13 0.642 7.520 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.406 5.068 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.000 6.550 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.461 7.844 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.614 6.482 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.591 5.283 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.477 6.071 8.695 1.00 0.00 H new ATOM 0 HE ARG A 13 5.282 7.543 10.273 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.975 6.748 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.066 7.584 12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.396 8.532 12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.986 8.586 13.312 1.00 0.00 H new ATOM 180 N ALA A 14 0.628 4.911 5.137 1.00 0.00 N ATOM 181 CA ALA A 14 0.536 4.527 3.733 1.00 0.00 C ATOM 182 C ALA A 14 -0.774 4.978 3.111 1.00 0.00 C ATOM 183 O ALA A 14 -0.779 5.590 2.044 1.00 0.00 O ATOM 184 CB ALA A 14 0.685 3.010 3.576 1.00 0.00 C ATOM 0 H ALA A 14 0.601 4.130 5.793 1.00 0.00 H new ATOM 0 HA ALA A 14 1.352 5.026 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.613 2.745 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.655 2.698 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.107 2.507 4.131 1.00 0.00 H new ATOM 190 N VAL A 15 -1.879 4.644 3.759 1.00 0.00 N ATOM 191 CA VAL A 15 -3.190 4.956 3.230 1.00 0.00 C ATOM 192 C VAL A 15 -3.388 6.468 3.103 1.00 0.00 C ATOM 193 O VAL A 15 -3.871 6.957 2.081 1.00 0.00 O ATOM 194 CB VAL A 15 -4.290 4.299 4.100 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.686 5.205 5.267 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.523 3.989 3.250 1.00 0.00 C ATOM 0 H VAL A 15 -1.890 4.156 4.654 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.268 4.541 2.225 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.885 3.371 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.460 4.717 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.814 5.394 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.067 6.150 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.288 3.527 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.912 4.913 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.249 3.305 2.447 1.00 0.00 H new ATOM 206 N SER A 16 -2.944 7.215 4.108 1.00 0.00 N ATOM 207 CA SER A 16 -3.082 8.654 4.056 1.00 0.00 C ATOM 208 C SER A 16 -2.336 9.211 2.866 1.00 0.00 C ATOM 209 O SER A 16 -2.839 10.093 2.160 1.00 0.00 O ATOM 210 CB SER A 16 -2.538 9.277 5.338 1.00 0.00 C ATOM 211 OG SER A 16 -1.234 8.763 5.594 1.00 0.00 O ATOM 0 H SER A 16 -2.495 6.852 4.949 1.00 0.00 H new ATOM 0 HA SER A 16 -4.140 8.898 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.501 10.362 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.200 9.053 6.174 1.00 0.00 H new ATOM 0 HG SER A 16 -1.265 8.162 6.368 1.00 0.00 H new ATOM 217 N MET A 17 -1.116 8.747 2.671 1.00 0.00 N ATOM 218 CA MET A 17 -0.309 9.255 1.591 1.00 0.00 C ATOM 219 C MET A 17 -0.897 8.870 0.231 1.00 0.00 C ATOM 220 O MET A 17 -0.924 9.686 -0.687 1.00 0.00 O ATOM 221 CB MET A 17 1.148 8.793 1.722 1.00 0.00 C ATOM 222 CG MET A 17 1.735 9.363 3.020 1.00 0.00 C ATOM 223 SD MET A 17 3.549 9.135 3.043 1.00 0.00 S ATOM 224 CE MET A 17 3.612 7.352 3.390 1.00 0.00 C ATOM 0 H MET A 17 -0.671 8.028 3.241 1.00 0.00 H new ATOM 0 HA MET A 17 -0.316 10.343 1.655 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.199 7.704 1.731 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.729 9.132 0.865 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.493 10.422 3.103 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.287 8.865 3.880 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.645 7.007 3.336 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.218 7.161 4.388 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.011 6.817 2.655 1.00 0.00 H new ATOM 234 N VAL A 18 -1.341 7.621 0.098 1.00 0.00 N ATOM 235 CA VAL A 18 -1.886 7.158 -1.179 1.00 0.00 C ATOM 236 C VAL A 18 -3.270 7.721 -1.487 1.00 0.00 C ATOM 237 O VAL A 18 -3.531 8.128 -2.617 1.00 0.00 O ATOM 238 CB VAL A 18 -1.882 5.633 -1.290 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.446 5.120 -1.246 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.684 5.011 -0.147 1.00 0.00 C ATOM 0 H VAL A 18 -1.336 6.923 0.842 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.211 7.554 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.343 5.350 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.445 4.033 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.118 5.545 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.017 5.415 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.671 3.925 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.241 5.298 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.714 5.366 -0.190 1.00 0.00 H new ATOM 250 N GLU A 19 -4.160 7.744 -0.497 1.00 0.00 N ATOM 251 CA GLU A 19 -5.514 8.217 -0.750 1.00 0.00 C ATOM 252 C GLU A 19 -5.467 9.657 -1.184 1.00 0.00 C ATOM 253 O GLU A 19 -6.382 10.141 -1.833 1.00 0.00 O ATOM 254 CB GLU A 19 -6.382 8.158 0.502 1.00 0.00 C ATOM 255 CG GLU A 19 -6.680 6.730 0.956 1.00 0.00 C ATOM 256 CD GLU A 19 -7.520 6.794 2.230 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.778 7.904 2.697 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.903 5.760 2.725 1.00 0.00 O ATOM 0 H GLU A 19 -3.974 7.449 0.462 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.940 7.572 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.882 8.693 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.322 8.676 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.215 6.188 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.752 6.189 1.141 1.00 0.00 H new ATOM 265 N LYS A 20 -4.543 10.391 -0.594 1.00 0.00 N ATOM 266 CA LYS A 20 -4.505 11.830 -0.748 1.00 0.00 C ATOM 267 C LYS A 20 -3.524 12.256 -1.841 1.00 0.00 C ATOM 268 O LYS A 20 -3.517 13.413 -2.258 1.00 0.00 O ATOM 269 CB LYS A 20 -4.176 12.481 0.595 1.00 0.00 C ATOM 270 CG LYS A 20 -5.137 11.914 1.668 1.00 0.00 C ATOM 271 CD LYS A 20 -6.592 12.335 1.375 1.00 0.00 C ATOM 272 CE LYS A 20 -7.506 11.090 1.364 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.391 10.343 2.652 1.00 0.00 N ATOM 0 H LYS A 20 -3.806 10.010 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.489 12.173 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.141 12.279 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.282 13.564 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.065 10.827 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.841 12.272 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.935 13.042 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.646 12.845 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.541 11.393 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.233 10.439 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.986 9.491 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.400 10.066 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.706 10.951 3.435 1.00 0.00 H new ATOM 287 N ASN A 21 -2.792 11.303 -2.390 1.00 0.00 N ATOM 288 CA ASN A 21 -1.905 11.593 -3.515 1.00 0.00 C ATOM 289 C ASN A 21 -2.727 11.903 -4.755 1.00 0.00 C ATOM 290 O ASN A 21 -3.611 11.132 -5.129 1.00 0.00 O ATOM 291 CB ASN A 21 -0.962 10.416 -3.784 1.00 0.00 C ATOM 292 CG ASN A 21 -0.068 10.725 -4.982 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.557 10.870 -6.109 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.212 10.849 -4.810 1.00 0.00 N ATOM 0 H ASN A 21 -2.790 10.330 -2.083 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.298 12.462 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.350 10.222 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.541 9.512 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.815 11.066 -5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.616 10.730 -3.881 1.00 0.00 H new ATOM 301 N LYS A 22 -2.524 13.088 -5.310 1.00 0.00 N ATOM 302 CA LYS A 22 -3.346 13.571 -6.413 1.00 0.00 C ATOM 303 C LYS A 22 -3.378 12.601 -7.594 1.00 0.00 C ATOM 304 O LYS A 22 -4.454 12.323 -8.150 1.00 0.00 O ATOM 305 CB LYS A 22 -2.913 14.993 -6.848 1.00 0.00 C ATOM 306 CG LYS A 22 -1.706 14.954 -7.809 1.00 0.00 C ATOM 307 CD LYS A 22 -0.414 14.636 -7.039 1.00 0.00 C ATOM 308 CE LYS A 22 0.058 15.878 -6.269 1.00 0.00 C ATOM 309 NZ LYS A 22 0.409 16.962 -7.221 1.00 0.00 N ATOM 0 H LYS A 22 -1.794 13.737 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.370 13.630 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.749 15.495 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.657 15.581 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.872 14.201 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.607 15.913 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.587 13.813 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.362 14.311 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.727 16.217 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.923 15.628 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.082 17.615 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.842 16.550 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.451 17.482 -7.488 1.00 0.00 H new ATOM 323 N ASP A 23 -2.221 12.077 -7.983 1.00 0.00 N ATOM 324 CA ASP A 23 -2.192 11.132 -9.090 1.00 0.00 C ATOM 325 C ASP A 23 -2.944 9.880 -8.712 1.00 0.00 C ATOM 326 O ASP A 23 -3.806 9.407 -9.451 1.00 0.00 O ATOM 327 CB ASP A 23 -0.766 10.760 -9.483 1.00 0.00 C ATOM 328 CG ASP A 23 -0.780 10.136 -10.864 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.081 8.969 -10.969 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.518 10.846 -11.810 1.00 0.00 O ATOM 0 H ASP A 23 -1.315 12.283 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.665 11.614 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.131 11.646 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.346 10.062 -8.759 1.00 0.00 H new ATOM 335 N ILE A 24 -2.688 9.394 -7.510 1.00 0.00 N ATOM 336 CA ILE A 24 -3.391 8.230 -7.021 1.00 0.00 C ATOM 337 C ILE A 24 -4.871 8.541 -6.907 1.00 0.00 C ATOM 338 O ILE A 24 -5.698 7.795 -7.399 1.00 0.00 O ATOM 339 CB ILE A 24 -2.817 7.740 -5.693 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.398 7.207 -5.924 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.691 6.601 -5.164 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.716 6.951 -4.581 1.00 0.00 C ATOM 0 H ILE A 24 -2.004 9.786 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.257 7.417 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.794 8.560 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.436 6.285 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.820 7.926 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.289 6.244 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.708 6.963 -5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.699 5.784 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.292 6.572 -4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.663 7.882 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.289 6.216 -4.016 1.00 0.00 H new ATOM 354 N ARG A 25 -5.195 9.714 -6.389 1.00 0.00 N ATOM 355 CA ARG A 25 -6.583 10.138 -6.357 1.00 0.00 C ATOM 356 C ARG A 25 -7.155 10.176 -7.746 1.00 0.00 C ATOM 357 O ARG A 25 -8.275 9.713 -7.981 1.00 0.00 O ATOM 358 CB ARG A 25 -6.732 11.503 -5.704 1.00 0.00 C ATOM 359 CG ARG A 25 -6.708 11.342 -4.190 1.00 0.00 C ATOM 360 CD ARG A 25 -6.853 12.703 -3.516 1.00 0.00 C ATOM 361 NE ARG A 25 -5.610 13.458 -3.615 1.00 0.00 N ATOM 362 CZ ARG A 25 -5.577 14.760 -3.883 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.676 15.401 -4.178 1.00 0.00 N ATOM 364 NH2 ARG A 25 -4.435 15.385 -3.851 1.00 0.00 N ATOM 0 H ARG A 25 -4.530 10.378 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.134 9.410 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.925 12.162 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.667 11.969 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.516 10.683 -3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.774 10.872 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.663 13.262 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.122 12.569 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.728 12.966 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.566 14.903 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.645 16.400 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.581 14.876 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.394 16.384 -4.054 1.00 0.00 H new ATOM 378 N SER A 26 -6.372 10.658 -8.672 1.00 0.00 N ATOM 379 CA SER A 26 -6.771 10.646 -10.051 1.00 0.00 C ATOM 380 C SER A 26 -6.986 9.191 -10.502 1.00 0.00 C ATOM 381 O SER A 26 -8.024 8.855 -11.077 1.00 0.00 O ATOM 382 CB SER A 26 -5.701 11.329 -10.888 1.00 0.00 C ATOM 383 OG SER A 26 -5.463 12.648 -10.373 1.00 0.00 O ATOM 0 H SER A 26 -5.453 11.064 -8.496 1.00 0.00 H new ATOM 0 HA SER A 26 -7.707 11.189 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.780 10.747 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.019 11.385 -11.929 1.00 0.00 H new ATOM 0 HG SER A 26 -4.805 12.602 -9.648 1.00 0.00 H new ATOM 389 N LEU A 27 -6.057 8.308 -10.116 1.00 0.00 N ATOM 390 CA LEU A 27 -6.203 6.870 -10.380 1.00 0.00 C ATOM 391 C LEU A 27 -7.417 6.331 -9.637 1.00 0.00 C ATOM 392 O LEU A 27 -8.182 5.533 -10.166 1.00 0.00 O ATOM 393 CB LEU A 27 -4.961 6.099 -9.911 1.00 0.00 C ATOM 394 CG LEU A 27 -3.740 6.474 -10.761 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.483 5.844 -10.158 1.00 0.00 C ATOM 396 CD2 LEU A 27 -3.917 5.982 -12.208 1.00 0.00 C ATOM 0 H LEU A 27 -5.201 8.561 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.325 6.735 -11.455 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.763 6.321 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.144 5.027 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.641 7.559 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.616 6.111 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.344 6.212 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.592 4.760 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.041 6.257 -12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.031 4.898 -12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.805 6.442 -12.643 1.00 0.00 H new ATOM 408 N LEU A 28 -7.583 6.788 -8.405 1.00 0.00 N ATOM 409 CA LEU A 28 -8.679 6.348 -7.554 1.00 0.00 C ATOM 410 C LEU A 28 -9.966 7.034 -7.962 1.00 0.00 C ATOM 411 O LEU A 28 -11.019 6.835 -7.329 1.00 0.00 O ATOM 412 CB LEU A 28 -8.387 6.657 -6.069 1.00 0.00 C ATOM 413 CG LEU A 28 -7.185 5.848 -5.558 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.869 6.271 -4.119 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.508 4.350 -5.578 1.00 0.00 C ATOM 0 H LEU A 28 -6.965 7.472 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.783 5.270 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.189 7.722 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.266 6.426 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.328 6.038 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.017 5.700 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.631 7.334 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.735 6.080 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.648 3.788 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.368 4.155 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.738 4.041 -6.598 1.00 0.00 H new ATOM 427 N GLN A 29 -9.881 7.889 -8.974 1.00 0.00 N ATOM 428 CA GLN A 29 -11.035 8.638 -9.426 1.00 0.00 C ATOM 429 C GLN A 29 -11.632 9.396 -8.251 1.00 0.00 C ATOM 430 O GLN A 29 -12.845 9.368 -8.030 1.00 0.00 O ATOM 431 CB GLN A 29 -12.080 7.680 -10.025 1.00 0.00 C ATOM 432 CG GLN A 29 -11.489 6.956 -11.240 1.00 0.00 C ATOM 433 CD GLN A 29 -11.211 7.954 -12.349 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.131 8.635 -12.810 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.013 8.099 -12.799 1.00 0.00 N ATOM 0 H GLN A 29 -9.024 8.077 -9.493 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.731 9.347 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.393 6.954 -9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.970 8.237 -10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.568 6.446 -10.958 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.182 6.192 -11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.253 7.536 -12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.824 8.777 -13.537 1.00 0.00 H new ATOM 444 N CYS A 30 -10.759 10.003 -7.449 1.00 0.00 N ATOM 445 CA CYS A 30 -11.176 10.724 -6.250 1.00 0.00 C ATOM 446 C CYS A 30 -12.122 11.873 -6.585 1.00 0.00 C ATOM 447 O CYS A 30 -11.805 13.047 -6.355 1.00 0.00 O ATOM 448 CB CYS A 30 -9.961 11.231 -5.473 1.00 0.00 C ATOM 449 SG CYS A 30 -10.412 11.501 -3.739 1.00 0.00 S ATOM 0 H CYS A 30 -9.752 10.009 -7.611 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.722 10.023 -5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.148 10.508 -5.539 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.598 12.160 -5.913 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.338 11.724 -3.041 1.00 0.00 H new ATOM 455 N ASP A 31 -13.275 11.521 -7.138 1.00 0.00 N ATOM 456 CA ASP A 31 -14.305 12.482 -7.511 1.00 0.00 C ATOM 457 C ASP A 31 -14.633 13.398 -6.345 1.00 0.00 C ATOM 458 O ASP A 31 -14.109 14.514 -6.243 1.00 0.00 O ATOM 459 CB ASP A 31 -15.581 11.729 -7.955 1.00 0.00 C ATOM 460 CG ASP A 31 -16.788 12.657 -7.975 1.00 0.00 C ATOM 461 OD1 ASP A 31 -16.612 13.828 -8.178 1.00 0.00 O ATOM 462 OD2 ASP A 31 -17.879 12.177 -7.776 1.00 0.00 O ATOM 0 H ASP A 31 -13.524 10.553 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.931 13.090 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.429 11.304 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.770 10.897 -7.277 1.00 0.00 H new ATOM 467 N ASP A 32 -15.535 12.941 -5.496 1.00 0.00 N ATOM 468 CA ASP A 32 -15.981 13.720 -4.355 1.00 0.00 C ATOM 469 C ASP A 32 -16.480 15.087 -4.788 1.00 0.00 C ATOM 470 O ASP A 32 -16.222 16.094 -4.117 1.00 0.00 O ATOM 471 CB ASP A 32 -14.880 13.835 -3.274 1.00 0.00 C ATOM 472 CG ASP A 32 -14.865 12.604 -2.382 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.908 12.024 -2.174 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.807 12.253 -1.902 1.00 0.00 O ATOM 0 H ASP A 32 -15.977 12.025 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.818 13.188 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.907 13.955 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.050 14.725 -2.669 1.00 0.00 H new ATOM 479 N GLY A 33 -17.128 15.133 -5.944 1.00 0.00 N ATOM 480 CA GLY A 33 -17.606 16.390 -6.496 1.00 0.00 C ATOM 481 C GLY A 33 -18.642 16.182 -7.603 1.00 0.00 C ATOM 482 O GLY A 33 -19.833 16.464 -7.415 1.00 0.00 O ATOM 0 H GLY A 33 -17.334 14.314 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.045 16.991 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.762 16.954 -6.893 1.00 0.00 H new ATOM 486 N ILE A 34 -18.195 15.700 -8.754 1.00 0.00 N ATOM 487 CA ILE A 34 -19.076 15.511 -9.900 1.00 0.00 C ATOM 488 C ILE A 34 -20.150 14.476 -9.680 1.00 0.00 C ATOM 489 O ILE A 34 -21.290 14.664 -10.115 1.00 0.00 O ATOM 490 CB ILE A 34 -18.282 15.217 -11.193 1.00 0.00 C ATOM 491 CG1 ILE A 34 -19.235 14.710 -12.281 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.177 14.185 -10.953 1.00 0.00 C ATOM 493 CD1 ILE A 34 -18.562 14.801 -13.632 1.00 0.00 C ATOM 0 H ILE A 34 -17.225 15.432 -8.920 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.593 16.463 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.811 16.145 -11.516 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -19.521 13.678 -12.075 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.151 15.301 -12.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.640 14.004 -11.884 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.483 14.563 -10.202 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.620 13.253 -10.602 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.243 14.440 -14.403 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -18.298 15.838 -13.838 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -17.659 14.191 -13.630 1.00 0.00 H new ATOM 505 N THR A 35 -19.801 13.364 -9.097 1.00 0.00 N ATOM 506 CA THR A 35 -20.762 12.291 -8.960 1.00 0.00 C ATOM 507 C THR A 35 -21.350 12.227 -7.554 1.00 0.00 C ATOM 508 O THR A 35 -22.265 11.440 -7.278 1.00 0.00 O ATOM 509 CB THR A 35 -20.136 10.957 -9.388 1.00 0.00 C ATOM 510 OG1 THR A 35 -19.389 10.386 -8.318 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.194 11.175 -10.572 1.00 0.00 C ATOM 0 H THR A 35 -18.876 13.172 -8.713 1.00 0.00 H new ATOM 0 HA THR A 35 -21.598 12.498 -9.628 1.00 0.00 H new ATOM 0 HB THR A 35 -20.945 10.283 -9.670 1.00 0.00 H new ATOM 0 HG1 THR A 35 -18.912 11.094 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.755 10.222 -10.868 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.753 11.593 -11.409 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.402 11.866 -10.284 1.00 0.00 H new ATOM 519 N GLY A 36 -20.806 13.037 -6.662 1.00 0.00 N ATOM 520 CA GLY A 36 -21.225 13.035 -5.269 1.00 0.00 C ATOM 521 C GLY A 36 -20.079 12.542 -4.420 1.00 0.00 C ATOM 522 O GLY A 36 -19.122 11.968 -4.955 1.00 0.00 O ATOM 0 H GLY A 36 -20.069 13.708 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.519 14.039 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.096 12.393 -5.137 1.00 0.00 H new ATOM 526 N LYS A 37 -20.114 12.799 -3.120 1.00 0.00 N ATOM 527 CA LYS A 37 -18.991 12.400 -2.304 1.00 0.00 C ATOM 528 C LYS A 37 -19.125 10.961 -1.845 1.00 0.00 C ATOM 529 O LYS A 37 -19.956 10.635 -0.990 1.00 0.00 O ATOM 530 CB LYS A 37 -18.847 13.347 -1.103 1.00 0.00 C ATOM 531 CG LYS A 37 -18.099 14.628 -1.526 1.00 0.00 C ATOM 532 CD LYS A 37 -19.061 15.580 -2.259 1.00 0.00 C ATOM 533 CE LYS A 37 -19.776 16.472 -1.245 1.00 0.00 C ATOM 534 NZ LYS A 37 -18.815 17.436 -0.662 1.00 0.00 N ATOM 0 H LYS A 37 -20.878 13.263 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.088 12.466 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.832 13.604 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.305 12.848 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.683 15.123 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.262 14.373 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.509 16.193 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.790 15.006 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.593 17.006 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.217 15.862 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.320 18.297 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.354 17.009 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.095 17.680 -1.371 1.00 0.00 H new ATOM 548 N GLU A 38 -18.191 10.150 -2.298 1.00 0.00 N ATOM 549 CA GLU A 38 -18.032 8.785 -1.849 1.00 0.00 C ATOM 550 C GLU A 38 -17.072 8.727 -0.693 1.00 0.00 C ATOM 551 O GLU A 38 -16.171 9.558 -0.604 1.00 0.00 O ATOM 552 CB GLU A 38 -17.570 7.899 -2.997 1.00 0.00 C ATOM 553 CG GLU A 38 -18.704 7.783 -4.005 1.00 0.00 C ATOM 554 CD GLU A 38 -18.274 6.956 -5.191 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.100 5.773 -5.013 1.00 0.00 O ATOM 556 OE2 GLU A 38 -18.142 7.512 -6.267 1.00 0.00 O ATOM 0 H GLU A 38 -17.508 10.428 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.996 8.410 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.685 8.324 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.291 6.913 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.574 7.327 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -19.006 8.776 -4.337 1.00 0.00 H new ATOM 563 N ARG A 39 -17.176 7.707 0.120 1.00 0.00 N ATOM 564 CA ARG A 39 -16.224 7.525 1.212 1.00 0.00 C ATOM 565 C ARG A 39 -15.204 6.449 0.875 1.00 0.00 C ATOM 566 O ARG A 39 -15.549 5.389 0.358 1.00 0.00 O ATOM 567 CB ARG A 39 -16.953 7.220 2.526 1.00 0.00 C ATOM 568 CG ARG A 39 -17.133 8.516 3.337 1.00 0.00 C ATOM 569 CD ARG A 39 -17.686 9.629 2.433 1.00 0.00 C ATOM 570 NE ARG A 39 -17.820 10.878 3.168 1.00 0.00 N ATOM 571 CZ ARG A 39 -18.896 11.175 3.891 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.876 10.318 3.990 1.00 0.00 N ATOM 573 NH2 ARG A 39 -18.965 12.327 4.491 1.00 0.00 N ATOM 0 H ARG A 39 -17.899 6.990 0.057 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.679 8.459 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.925 6.773 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.386 6.493 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.813 8.342 4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.178 8.823 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.022 9.774 1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.656 9.331 2.035 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.057 11.554 3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.817 9.419 3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.700 10.548 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -18.198 12.994 4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.786 12.564 5.048 1.00 0.00 H new ATOM 587 N LEU A 40 -13.940 6.764 1.113 1.00 0.00 N ATOM 588 CA LEU A 40 -12.834 5.865 0.789 1.00 0.00 C ATOM 589 C LEU A 40 -12.836 4.681 1.744 1.00 0.00 C ATOM 590 O LEU A 40 -13.117 4.839 2.941 1.00 0.00 O ATOM 591 CB LEU A 40 -11.509 6.632 0.937 1.00 0.00 C ATOM 592 CG LEU A 40 -11.462 7.801 -0.070 1.00 0.00 C ATOM 593 CD1 LEU A 40 -10.595 8.925 0.500 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.847 7.326 -1.397 1.00 0.00 C ATOM 0 H LEU A 40 -13.649 7.646 1.535 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.946 5.503 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.411 7.012 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.669 5.959 0.766 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.476 8.160 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.560 9.752 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.021 9.272 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.585 8.553 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.817 8.157 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.834 6.964 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.453 6.520 -1.811 1.00 0.00 H new ATOM 606 N LYS A 41 -12.491 3.508 1.239 1.00 0.00 N ATOM 607 CA LYS A 41 -12.400 2.314 2.078 1.00 0.00 C ATOM 608 C LYS A 41 -11.111 1.568 1.801 1.00 0.00 C ATOM 609 O LYS A 41 -10.683 1.474 0.647 1.00 0.00 O ATOM 610 CB LYS A 41 -13.611 1.397 1.868 1.00 0.00 C ATOM 611 CG LYS A 41 -14.867 2.053 2.466 1.00 0.00 C ATOM 612 CD LYS A 41 -15.113 1.507 3.886 1.00 0.00 C ATOM 613 CE LYS A 41 -14.167 2.185 4.890 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.199 3.660 4.707 1.00 0.00 N ATOM 0 H LYS A 41 -12.269 3.352 0.256 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.399 2.633 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.758 1.210 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.434 0.431 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.743 3.135 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.731 1.850 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.149 1.683 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.957 0.428 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.462 1.931 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.151 1.816 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.960 4.127 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.508 3.935 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.151 3.952 4.408 1.00 0.00 H new ATOM 628 N ALA A 42 -10.496 1.038 2.856 1.00 0.00 N ATOM 629 CA ALA A 42 -9.239 0.314 2.721 1.00 0.00 C ATOM 630 C ALA A 42 -9.207 -0.913 3.620 1.00 0.00 C ATOM 631 O ALA A 42 -9.586 -0.841 4.792 1.00 0.00 O ATOM 632 CB ALA A 42 -8.062 1.230 3.053 1.00 0.00 C ATOM 0 H ALA A 42 -10.849 1.097 3.811 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.157 -0.019 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.129 0.676 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.058 2.080 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.158 1.589 4.078 1.00 0.00 H new ATOM 638 N TYR A 43 -8.707 -2.011 3.084 1.00 0.00 N ATOM 639 CA TYR A 43 -8.557 -3.267 3.819 1.00 0.00 C ATOM 640 C TYR A 43 -7.449 -4.102 3.193 1.00 0.00 C ATOM 641 O TYR A 43 -6.882 -3.711 2.192 1.00 0.00 O ATOM 642 CB TYR A 43 -9.880 -4.049 3.891 1.00 0.00 C ATOM 643 CG TYR A 43 -10.816 -3.613 2.784 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.576 -4.006 1.468 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.936 -2.827 3.084 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.452 -3.619 0.456 1.00 0.00 C ATOM 647 CE2 TYR A 43 -12.810 -2.438 2.064 1.00 0.00 C ATOM 648 CZ TYR A 43 -12.567 -2.837 0.753 1.00 0.00 C ATOM 649 OH TYR A 43 -13.436 -2.478 -0.251 1.00 0.00 O ATOM 0 H TYR A 43 -8.388 -2.063 2.116 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.279 -3.032 4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.682 -5.118 3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.353 -3.887 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.712 -4.610 1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -12.124 -2.522 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.266 -3.926 -0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.672 -1.829 2.293 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.077 -1.820 0.091 1.00 0.00 H new ATOM 659 N GLY A 44 -7.087 -5.206 3.815 1.00 0.00 N ATOM 660 CA GLY A 44 -5.966 -6.006 3.319 1.00 0.00 C ATOM 661 C GLY A 44 -6.202 -6.464 1.880 1.00 0.00 C ATOM 662 O GLY A 44 -5.412 -6.164 0.977 1.00 0.00 O ATOM 0 H GLY A 44 -7.539 -5.572 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.048 -5.420 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.825 -6.876 3.961 1.00 0.00 H new ATOM 666 N GLU A 45 -7.341 -7.090 1.658 1.00 0.00 N ATOM 667 CA GLU A 45 -7.750 -7.527 0.335 1.00 0.00 C ATOM 668 C GLU A 45 -9.110 -7.006 -0.045 1.00 0.00 C ATOM 669 O GLU A 45 -10.008 -6.940 0.792 1.00 0.00 O ATOM 670 CB GLU A 45 -7.726 -9.042 0.198 1.00 0.00 C ATOM 671 CG GLU A 45 -6.283 -9.558 0.198 1.00 0.00 C ATOM 672 CD GLU A 45 -6.271 -11.057 -0.046 1.00 0.00 C ATOM 673 OE1 GLU A 45 -7.280 -11.686 0.194 1.00 0.00 O ATOM 674 OE2 GLU A 45 -5.261 -11.557 -0.478 1.00 0.00 O ATOM 0 H GLU A 45 -8.013 -7.311 2.393 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.017 -7.105 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.281 -9.496 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.224 -9.338 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.706 -9.050 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.807 -9.332 1.152 1.00 0.00 H new ATOM 881 N PRO A 57 -5.101 -9.581 5.885 1.00 0.00 N ATOM 882 CA PRO A 57 -5.508 -8.215 6.297 1.00 0.00 C ATOM 883 C PRO A 57 -4.310 -7.289 6.389 1.00 0.00 C ATOM 884 O PRO A 57 -3.173 -7.727 6.259 1.00 0.00 O ATOM 885 CB PRO A 57 -6.185 -8.404 7.652 1.00 0.00 C ATOM 886 CG PRO A 57 -5.637 -9.687 8.176 1.00 0.00 C ATOM 887 CD PRO A 57 -5.398 -10.567 6.946 1.00 0.00 C ATOM 0 HA PRO A 57 -6.177 -7.747 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.963 -7.575 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.269 -8.449 7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.710 -9.522 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.337 -10.159 8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.569 -11.258 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.274 -11.169 6.704 1.00 0.00 H new ATOM 895 N ILE A 58 -4.577 -6.010 6.560 1.00 0.00 N ATOM 896 CA ILE A 58 -3.527 -5.008 6.634 1.00 0.00 C ATOM 897 C ILE A 58 -2.475 -5.414 7.685 1.00 0.00 C ATOM 898 O ILE A 58 -2.576 -5.045 8.858 1.00 0.00 O ATOM 899 CB ILE A 58 -4.161 -3.656 7.013 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.172 -3.237 5.939 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.082 -2.578 7.125 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.033 -2.094 6.471 1.00 0.00 C ATOM 0 H ILE A 58 -5.521 -5.635 6.651 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.029 -4.925 5.668 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.664 -3.767 7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.650 -2.923 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.801 -4.084 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.544 -1.628 7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.363 -2.862 7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.570 -2.475 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.752 -1.795 5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.566 -2.424 7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.397 -1.245 6.722 1.00 0.00 H new ATOM 914 N VAL A 59 -1.479 -6.164 7.253 1.00 0.00 N ATOM 915 CA VAL A 59 -0.393 -6.597 8.119 1.00 0.00 C ATOM 916 C VAL A 59 0.939 -6.453 7.397 1.00 0.00 C ATOM 917 O VAL A 59 0.979 -6.359 6.166 1.00 0.00 O ATOM 918 CB VAL A 59 -0.600 -8.057 8.572 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.868 -8.158 9.431 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.739 -8.979 7.348 1.00 0.00 C ATOM 0 H VAL A 59 -1.398 -6.492 6.291 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.387 -5.963 9.006 1.00 0.00 H new ATOM 0 HB VAL A 59 0.265 -8.368 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.011 -9.191 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.765 -7.519 10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.730 -7.836 8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.885 -10.007 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.596 -8.666 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.165 -8.919 6.742 1.00 0.00 H new ATOM 930 N SER A 60 2.023 -6.451 8.150 1.00 0.00 N ATOM 931 CA SER A 60 3.347 -6.352 7.564 1.00 0.00 C ATOM 932 C SER A 60 4.156 -7.609 7.851 1.00 0.00 C ATOM 933 O SER A 60 4.532 -7.859 9.003 1.00 0.00 O ATOM 934 CB SER A 60 4.078 -5.121 8.110 1.00 0.00 C ATOM 935 OG SER A 60 3.891 -5.042 9.525 1.00 0.00 O ATOM 0 H SER A 60 2.013 -6.517 9.168 1.00 0.00 H new ATOM 0 HA SER A 60 3.237 -6.249 6.484 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.141 -5.183 7.876 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.699 -4.218 7.632 1.00 0.00 H new ATOM 0 HG SER A 60 3.016 -5.415 9.761 1.00 0.00 H new ATOM 941 N THR A 61 4.502 -8.359 6.818 1.00 0.00 N ATOM 942 CA THR A 61 5.342 -9.526 7.026 1.00 0.00 C ATOM 943 C THR A 61 6.712 -9.048 7.469 1.00 0.00 C ATOM 944 O THR A 61 7.234 -8.075 6.906 1.00 0.00 O ATOM 945 CB THR A 61 5.466 -10.338 5.731 1.00 0.00 C ATOM 946 OG1 THR A 61 6.139 -9.554 4.758 1.00 0.00 O ATOM 947 CG2 THR A 61 4.076 -10.697 5.205 1.00 0.00 C ATOM 0 H THR A 61 4.223 -8.188 5.852 1.00 0.00 H new ATOM 0 HA THR A 61 4.899 -10.169 7.786 1.00 0.00 H new ATOM 0 HB THR A 61 6.023 -11.253 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.140 -10.027 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.173 -11.274 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.547 -11.290 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.516 -9.784 5.004 1.00 0.00 H new ATOM 955 N LYS A 62 7.264 -9.670 8.491 1.00 0.00 N ATOM 956 CA LYS A 62 8.538 -9.236 9.034 1.00 0.00 C ATOM 957 C LYS A 62 9.652 -10.156 8.562 1.00 0.00 C ATOM 958 O LYS A 62 9.727 -11.316 8.998 1.00 0.00 O ATOM 959 CB LYS A 62 8.491 -9.280 10.570 1.00 0.00 C ATOM 960 CG LYS A 62 7.307 -8.462 11.116 1.00 0.00 C ATOM 961 CD LYS A 62 7.497 -6.964 10.863 1.00 0.00 C ATOM 962 CE LYS A 62 6.338 -6.201 11.533 1.00 0.00 C ATOM 963 NZ LYS A 62 5.049 -6.555 10.890 1.00 0.00 N ATOM 0 H LYS A 62 6.853 -10.476 8.962 1.00 0.00 H new ATOM 0 HA LYS A 62 8.729 -8.219 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.406 -10.314 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.424 -8.889 10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.383 -8.798 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.202 -8.641 12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.453 -6.630 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.515 -6.761 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.301 -6.442 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.508 -5.127 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.712 -5.751 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.184 -7.382 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.346 -6.780 11.623 1.00 0.00 H new ATOM 977 N LYS A 63 10.584 -9.619 7.788 1.00 0.00 N ATOM 978 CA LYS A 63 11.770 -10.378 7.414 1.00 0.00 C ATOM 979 C LYS A 63 12.990 -9.658 7.929 1.00 0.00 C ATOM 980 O LYS A 63 13.139 -8.462 7.700 1.00 0.00 O ATOM 981 CB LYS A 63 11.912 -10.504 5.889 1.00 0.00 C ATOM 982 CG LYS A 63 10.679 -11.182 5.272 1.00 0.00 C ATOM 983 CD LYS A 63 11.037 -11.786 3.895 1.00 0.00 C ATOM 984 CE LYS A 63 11.800 -10.768 3.010 1.00 0.00 C ATOM 985 NZ LYS A 63 13.149 -11.293 2.691 1.00 0.00 N ATOM 0 H LYS A 63 10.544 -8.672 7.410 1.00 0.00 H new ATOM 0 HA LYS A 63 11.675 -11.376 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.045 -9.515 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.805 -11.081 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.314 -11.965 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.873 -10.457 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.648 -12.678 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.126 -12.101 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.245 -10.583 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.885 -9.813 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.860 -10.790 3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.187 -12.309 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.348 -11.148 1.680 1.00 0.00 H new ATOM 999 N LEU A 64 13.930 -10.393 8.473 1.00 0.00 N ATOM 1000 CA LEU A 64 15.204 -9.804 8.837 1.00 0.00 C ATOM 1001 C LEU A 64 16.104 -9.901 7.631 1.00 0.00 C ATOM 1002 O LEU A 64 16.719 -10.948 7.389 1.00 0.00 O ATOM 1003 CB LEU A 64 15.829 -10.549 10.026 1.00 0.00 C ATOM 1004 CG LEU A 64 16.839 -9.649 10.778 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.553 -8.682 9.826 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.126 -8.861 11.879 1.00 0.00 C ATOM 0 H LEU A 64 13.843 -11.389 8.673 1.00 0.00 H new ATOM 0 HA LEU A 64 15.068 -8.765 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.044 -10.871 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.332 -11.449 9.672 1.00 0.00 H new ATOM 0 HG LEU A 64 17.591 -10.299 11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.254 -8.067 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.096 -9.250 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.818 -8.041 9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.847 -8.232 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.352 -8.235 11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.671 -9.554 12.586 1.00 0.00 H new ATOM 1018 N ASP A 65 16.011 -8.911 6.770 1.00 0.00 N ATOM 1019 CA ASP A 65 16.682 -8.980 5.491 1.00 0.00 C ATOM 1020 C ASP A 65 18.176 -8.801 5.573 1.00 0.00 C ATOM 1021 O ASP A 65 18.690 -8.049 6.400 1.00 0.00 O ATOM 1022 CB ASP A 65 16.107 -8.015 4.442 1.00 0.00 C ATOM 1023 CG ASP A 65 14.885 -8.602 3.724 1.00 0.00 C ATOM 1024 OD1 ASP A 65 14.556 -9.748 3.960 1.00 0.00 O ATOM 1025 OD2 ASP A 65 14.329 -7.908 2.893 1.00 0.00 O ATOM 0 H ASP A 65 15.481 -8.054 6.931 1.00 0.00 H new ATOM 0 HA ASP A 65 16.485 -10.000 5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.827 -7.079 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.878 -7.777 3.709 1.00 0.00 H new ATOM 1030 N LYS A 66 18.825 -9.424 4.605 1.00 0.00 N ATOM 1031 CA LYS A 66 20.253 -9.352 4.312 1.00 0.00 C ATOM 1032 C LYS A 66 20.969 -8.170 4.982 1.00 0.00 C ATOM 1033 O LYS A 66 22.119 -8.301 5.417 1.00 0.00 O ATOM 1034 CB LYS A 66 20.434 -9.259 2.779 1.00 0.00 C ATOM 1035 CG LYS A 66 19.373 -8.305 2.154 1.00 0.00 C ATOM 1036 CD LYS A 66 18.095 -9.075 1.730 1.00 0.00 C ATOM 1037 CE LYS A 66 17.042 -8.076 1.212 1.00 0.00 C ATOM 1038 NZ LYS A 66 15.771 -8.782 0.920 1.00 0.00 N ATOM 0 H LYS A 66 18.336 -10.039 3.954 1.00 0.00 H new ATOM 0 HA LYS A 66 20.709 -10.253 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.436 -8.897 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.343 -10.251 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.110 -7.530 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.801 -7.802 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.336 -9.801 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.696 -9.634 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.872 -7.297 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.409 -7.583 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.658 -8.883 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.788 -9.724 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.974 -8.235 1.303 1.00 0.00 H new ATOM 1052 N GLU A 67 20.342 -7.008 4.970 1.00 0.00 N ATOM 1053 CA GLU A 67 20.951 -5.805 5.516 1.00 0.00 C ATOM 1054 C GLU A 67 21.130 -5.893 7.025 1.00 0.00 C ATOM 1055 O GLU A 67 22.069 -5.324 7.579 1.00 0.00 O ATOM 1056 CB GLU A 67 20.159 -4.556 5.126 1.00 0.00 C ATOM 1057 CG GLU A 67 20.323 -4.315 3.620 1.00 0.00 C ATOM 1058 CD GLU A 67 19.498 -3.130 3.183 1.00 0.00 C ATOM 1059 OE1 GLU A 67 18.339 -3.082 3.524 1.00 0.00 O ATOM 1060 OE2 GLU A 67 20.029 -2.289 2.501 1.00 0.00 O ATOM 0 H GLU A 67 19.407 -6.870 4.587 1.00 0.00 H new ATOM 0 HA GLU A 67 21.945 -5.722 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 67 19.106 -4.684 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 67 20.516 -3.692 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.373 -4.141 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.016 -5.203 3.068 1.00 0.00 H new ATOM 1067 N GLY A 68 20.194 -6.536 7.686 1.00 0.00 N ATOM 1068 CA GLY A 68 20.213 -6.631 9.139 1.00 0.00 C ATOM 1069 C GLY A 68 19.131 -5.756 9.728 1.00 0.00 C ATOM 1070 O GLY A 68 19.120 -5.475 10.928 1.00 0.00 O ATOM 0 H GLY A 68 19.404 -7.005 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.063 -7.666 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.187 -6.324 9.519 1.00 0.00 H new ATOM 1074 N ARG A 69 18.221 -5.325 8.867 1.00 0.00 N ATOM 1075 CA ARG A 69 17.115 -4.478 9.266 1.00 0.00 C ATOM 1076 C ARG A 69 15.819 -5.129 8.818 1.00 0.00 C ATOM 1077 O ARG A 69 15.769 -5.720 7.735 1.00 0.00 O ATOM 1078 CB ARG A 69 17.309 -3.073 8.649 1.00 0.00 C ATOM 1079 CG ARG A 69 18.803 -2.715 8.802 1.00 0.00 C ATOM 1080 CD ARG A 69 19.007 -1.215 8.979 1.00 0.00 C ATOM 1081 NE ARG A 69 18.664 -0.473 7.771 1.00 0.00 N ATOM 1082 CZ ARG A 69 18.015 0.695 7.823 1.00 0.00 C ATOM 1083 NH1 ARG A 69 17.703 1.214 8.980 1.00 0.00 N ATOM 1084 NH2 ARG A 69 17.736 1.333 6.725 1.00 0.00 N ATOM 0 H ARG A 69 18.232 -5.554 7.873 1.00 0.00 H new ATOM 0 HA ARG A 69 17.076 -4.361 10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.017 -3.069 7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.683 -2.339 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.218 -3.243 9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 69 19.351 -3.056 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.395 -0.861 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 69 20.046 -1.019 9.243 1.00 0.00 H new ATOM 0 HE ARG A 69 18.926 -0.855 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.954 0.729 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.208 2.105 9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.012 0.943 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.241 2.224 6.765 1.00 0.00 H new ATOM 1098 N THR A 70 14.838 -5.190 9.710 1.00 0.00 N ATOM 1099 CA THR A 70 13.632 -5.953 9.420 1.00 0.00 C ATOM 1100 C THR A 70 12.882 -5.347 8.248 1.00 0.00 C ATOM 1101 O THR A 70 12.482 -4.193 8.306 1.00 0.00 O ATOM 1102 CB THR A 70 12.710 -6.001 10.640 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.471 -6.248 11.817 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.681 -7.124 10.460 1.00 0.00 C ATOM 0 H THR A 70 14.852 -4.731 10.621 1.00 0.00 H new ATOM 0 HA THR A 70 13.938 -6.968 9.165 1.00 0.00 H new ATOM 0 HB THR A 70 12.199 -5.043 10.736 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.160 -5.661 12.537 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.024 -7.158 11.329 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.089 -6.935 9.565 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.198 -8.078 10.358 1.00 0.00 H new ATOM 1112 N HIS A 71 12.576 -6.171 7.264 1.00 0.00 N ATOM 1113 CA HIS A 71 11.771 -5.761 6.119 1.00 0.00 C ATOM 1114 C HIS A 71 10.302 -5.943 6.439 1.00 0.00 C ATOM 1115 O HIS A 71 9.863 -7.055 6.762 1.00 0.00 O ATOM 1116 CB HIS A 71 12.125 -6.635 4.909 1.00 0.00 C ATOM 1117 CG HIS A 71 11.862 -5.921 3.597 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.817 -5.884 2.597 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.755 -5.261 3.079 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.285 -5.233 1.543 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.035 -4.835 1.778 1.00 0.00 N ATOM 0 H HIS A 71 12.877 -7.145 7.232 1.00 0.00 H new ATOM 0 HA HIS A 71 11.973 -4.714 5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.176 -6.920 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.543 -7.556 4.944 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.756 -6.279 2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.823 -5.102 3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.810 -5.055 0.616 1.00 0.00 H new ATOM 1130 N HIS A 72 9.542 -4.884 6.272 1.00 0.00 N ATOM 1131 CA HIS A 72 8.105 -4.922 6.425 1.00 0.00 C ATOM 1132 C HIS A 72 7.497 -4.914 5.046 1.00 0.00 C ATOM 1133 O HIS A 72 7.613 -3.915 4.340 1.00 0.00 O ATOM 1134 CB HIS A 72 7.607 -3.648 7.132 1.00 0.00 C ATOM 1135 CG HIS A 72 7.817 -3.704 8.617 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.992 -3.014 9.489 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.752 -4.329 9.400 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.440 -3.234 10.730 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.509 -4.031 10.738 1.00 0.00 N ATOM 0 H HIS A 72 9.907 -3.964 6.024 1.00 0.00 H new ATOM 0 HA HIS A 72 7.830 -5.805 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.129 -2.782 6.726 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.547 -3.509 6.922 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.553 -4.955 9.036 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.990 -2.816 11.619 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.036 -4.353 11.550 1.00 0.00 H new ATOM 1148 N TYR A 73 6.770 -5.954 4.699 1.00 0.00 N ATOM 1149 CA TYR A 73 6.036 -5.957 3.443 1.00 0.00 C ATOM 1150 C TYR A 73 4.588 -5.781 3.780 1.00 0.00 C ATOM 1151 O TYR A 73 4.032 -6.583 4.534 1.00 0.00 O ATOM 1152 CB TYR A 73 6.200 -7.292 2.719 1.00 0.00 C ATOM 1153 CG TYR A 73 7.654 -7.536 2.415 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.473 -8.099 3.391 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.180 -7.212 1.164 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.809 -8.336 3.125 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.530 -7.449 0.893 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.346 -8.014 1.879 1.00 0.00 C ATOM 1159 OH TYR A 73 11.679 -8.257 1.623 1.00 0.00 O ATOM 0 H TYR A 73 6.669 -6.801 5.258 1.00 0.00 H new ATOM 0 HA TYR A 73 6.410 -5.163 2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.808 -8.101 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.622 -7.288 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.063 -8.351 4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.544 -6.779 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.439 -8.772 3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.942 -7.197 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 73 12.232 -7.695 2.206 1.00 0.00 H new ATOM 1169 N MET A 74 3.991 -4.726 3.293 1.00 0.00 N ATOM 1170 CA MET A 74 2.613 -4.439 3.604 1.00 0.00 C ATOM 1171 C MET A 74 1.844 -4.162 2.339 1.00 0.00 C ATOM 1172 O MET A 74 2.178 -3.236 1.598 1.00 0.00 O ATOM 1173 CB MET A 74 2.529 -3.229 4.543 1.00 0.00 C ATOM 1174 CG MET A 74 1.077 -2.994 4.976 1.00 0.00 C ATOM 1175 SD MET A 74 1.015 -1.591 6.118 1.00 0.00 S ATOM 1176 CE MET A 74 1.493 -0.304 4.932 1.00 0.00 C ATOM 0 H MET A 74 4.438 -4.047 2.677 1.00 0.00 H new ATOM 0 HA MET A 74 2.176 -5.305 4.101 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.155 -3.396 5.420 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.914 -2.342 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.453 -2.797 4.105 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.679 -3.888 5.457 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.019 0.638 5.207 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.576 -0.183 4.944 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.171 -0.593 3.932 1.00 0.00 H new ATOM 1186 N ARG A 75 0.757 -4.874 2.147 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.135 -4.591 1.046 1.00 0.00 C ATOM 1188 C ARG A 75 -1.553 -4.515 1.541 1.00 0.00 C ATOM 1189 O ARG A 75 -1.946 -5.276 2.424 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.041 -5.634 -0.082 1.00 0.00 C ATOM 1191 CG ARG A 75 0.037 -7.052 0.500 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.399 -8.062 -0.571 1.00 0.00 C ATOM 1193 NE ARG A 75 0.444 -7.970 -1.766 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.144 -8.640 -2.889 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.925 -9.398 -2.933 1.00 0.00 N ATOM 1196 NH2 ARG A 75 0.917 -8.531 -3.936 1.00 0.00 N ATOM 0 H ARG A 75 0.469 -5.653 2.739 1.00 0.00 H new ATOM 0 HA ARG A 75 0.173 -3.632 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.909 -5.550 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.839 -5.437 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.054 -7.268 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.605 -7.134 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.347 -9.072 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.439 -7.881 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 75 1.278 -7.383 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.528 -9.478 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.154 -9.908 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.746 -7.938 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.692 -9.039 -4.791 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.326 -3.639 0.950 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.723 -3.525 1.284 1.00 0.00 C ATOM 1212 C PHE A 76 -4.544 -3.069 0.103 1.00 0.00 C ATOM 1213 O PHE A 76 -4.020 -2.459 -0.831 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.950 -2.663 2.540 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.366 -1.272 2.378 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -2.039 -1.024 2.749 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.153 -0.226 1.877 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.502 0.259 2.615 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.609 1.061 1.750 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.286 1.299 2.119 1.00 0.00 C ATOM 0 H PHE A 76 -2.008 -2.990 0.230 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.078 -4.524 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.019 -2.588 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.496 -3.150 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.429 -1.826 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.177 -0.411 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.476 0.445 2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.216 1.868 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.868 2.290 2.020 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.814 -3.401 0.133 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.729 -3.080 -0.933 1.00 0.00 C ATOM 1232 C HIS A 77 -7.665 -1.977 -0.509 1.00 0.00 C ATOM 1233 O HIS A 77 -8.105 -1.933 0.647 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.522 -4.320 -1.337 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.621 -5.263 -2.088 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.635 -6.012 -1.459 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.557 -5.598 -3.416 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.029 -6.754 -2.404 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -5.553 -6.540 -3.616 1.00 0.00 N ATOM 0 H HIS A 77 -6.244 -3.907 0.908 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.154 -2.735 -1.793 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.926 -4.812 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.371 -4.036 -1.959 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -5.411 -6.002 -0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.191 -5.192 -4.190 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.218 -7.439 -2.208 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.956 -1.078 -1.421 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.825 0.033 -1.114 1.00 0.00 C ATOM 1250 C VAL A 78 -9.887 0.179 -2.177 1.00 0.00 C ATOM 1251 O VAL A 78 -9.679 -0.197 -3.337 1.00 0.00 O ATOM 1252 CB VAL A 78 -8.016 1.347 -0.983 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.708 1.084 -0.231 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.705 1.939 -2.368 1.00 0.00 C ATOM 0 H VAL A 78 -7.605 -1.094 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.308 -0.169 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.619 2.064 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.145 2.013 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.931 0.700 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.115 0.351 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.136 2.861 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.120 1.224 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.638 2.152 -2.890 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.943 0.863 -1.825 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.951 1.218 -2.780 1.00 0.00 C ATOM 1266 C GLU A 79 -11.839 2.664 -3.155 1.00 0.00 C ATOM 1267 O GLU A 79 -11.976 3.561 -2.313 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.358 0.887 -2.285 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.648 -0.596 -2.539 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.993 -0.958 -1.964 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.196 -0.716 -0.798 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -15.802 -1.482 -2.691 1.00 0.00 O ATOM 0 H GLU A 79 -11.125 1.186 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.779 0.615 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.443 1.109 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.092 1.506 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.633 -0.801 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.871 -1.211 -2.085 1.00 0.00 H new ATOM 1279 N SER A 80 -11.673 2.882 -4.429 1.00 0.00 N ATOM 1280 CA SER A 80 -11.625 4.198 -4.975 1.00 0.00 C ATOM 1281 C SER A 80 -13.044 4.631 -5.220 1.00 0.00 C ATOM 1282 O SER A 80 -13.985 3.876 -4.933 1.00 0.00 O ATOM 1283 CB SER A 80 -10.848 4.184 -6.286 1.00 0.00 C ATOM 1284 OG SER A 80 -10.035 3.016 -6.351 1.00 0.00 O ATOM 0 H SER A 80 -11.567 2.140 -5.120 1.00 0.00 H new ATOM 0 HA SER A 80 -11.126 4.886 -4.292 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.538 4.205 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.226 5.076 -6.361 1.00 0.00 H new ATOM 0 HG SER A 80 -10.606 2.220 -6.358 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.242 5.835 -5.692 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.600 6.272 -5.867 1.00 0.00 C ATOM 1292 C LYS A 81 -15.264 5.416 -6.933 1.00 0.00 C ATOM 1293 O LYS A 81 -16.445 5.122 -6.855 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.657 7.738 -6.297 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.792 8.614 -5.369 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.183 8.435 -3.894 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.490 9.811 -3.287 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.175 9.838 -1.833 1.00 0.00 N ATOM 0 H LYS A 81 -12.516 6.503 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.121 6.171 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.308 7.834 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.689 8.088 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.741 8.357 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.902 9.661 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.054 7.785 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.373 7.954 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.910 10.577 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.542 10.052 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.722 10.743 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.053 9.735 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.530 9.056 -1.603 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.496 5.041 -7.947 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.056 4.295 -9.067 1.00 0.00 C ATOM 1314 C LYS A 82 -14.372 2.937 -9.268 1.00 0.00 C ATOM 1315 O LYS A 82 -14.729 2.198 -10.192 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.950 5.134 -10.354 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.292 6.612 -10.052 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.739 6.733 -9.541 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.053 8.197 -9.182 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.408 8.275 -8.585 1.00 0.00 N ATOM 0 H LYS A 82 -13.498 5.237 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.102 4.096 -8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.942 5.062 -10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.630 4.742 -11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.602 7.007 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.166 7.213 -10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.433 6.381 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.878 6.098 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.311 8.579 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.999 8.822 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.713 9.268 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.076 7.731 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.387 7.880 -7.623 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.302 2.679 -8.509 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.478 1.473 -8.716 1.00 0.00 C ATOM 1336 C LYS A 83 -11.990 0.882 -7.396 1.00 0.00 C ATOM 1337 O LYS A 83 -11.953 1.567 -6.382 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.272 1.795 -9.608 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.750 2.315 -10.977 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.512 1.210 -11.717 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.267 1.804 -12.907 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.716 1.840 -12.590 1.00 0.00 N ATOM 0 H LYS A 83 -12.984 3.281 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.111 0.733 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.643 2.543 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.661 0.903 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.393 3.184 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.896 2.640 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.816 0.445 -12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.212 0.722 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.903 2.809 -13.120 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.092 1.205 -13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.173 2.596 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.148 0.926 -12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.845 2.023 -11.574 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.539 -0.360 -7.441 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.965 -1.030 -6.275 1.00 0.00 C ATOM 1358 C ILE A 84 -9.447 -1.120 -6.480 1.00 0.00 C ATOM 1359 O ILE A 84 -8.997 -1.603 -7.516 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.567 -2.435 -6.179 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.094 -2.322 -6.109 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -11.063 -3.136 -4.911 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.717 -3.682 -6.397 1.00 0.00 C ATOM 0 H ILE A 84 -11.558 -0.936 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.180 -0.483 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.270 -3.013 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.399 -1.972 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.449 -1.587 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.496 -4.134 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.976 -3.213 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.358 -2.559 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.803 -3.603 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.422 -4.014 -7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.372 -4.404 -5.657 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.663 -0.600 -5.544 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.207 -0.530 -5.737 1.00 0.00 C ATOM 1377 C ALA A 85 -6.434 -1.334 -4.706 1.00 0.00 C ATOM 1378 O ALA A 85 -6.883 -1.521 -3.575 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.729 0.927 -5.724 1.00 0.00 C ATOM 0 H ALA A 85 -8.996 -0.225 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.005 -0.974 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.649 0.957 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.218 1.477 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.980 1.384 -4.767 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.225 -1.726 -5.092 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.293 -2.436 -4.224 1.00 0.00 C ATOM 1387 C LEU A 86 -3.083 -1.565 -3.917 1.00 0.00 C ATOM 1388 O LEU A 86 -2.491 -0.982 -4.817 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.865 -3.769 -4.877 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.593 -4.332 -4.212 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.841 -4.624 -2.736 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -2.181 -5.627 -4.920 1.00 0.00 C ATOM 0 H LEU A 86 -4.860 -1.557 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.792 -2.662 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.674 -4.495 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.685 -3.615 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.799 -3.590 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.931 -5.020 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.127 -3.704 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.642 -5.357 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.282 -6.027 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.987 -6.357 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.981 -5.419 -5.971 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.727 -1.476 -2.652 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.581 -0.685 -2.235 1.00 0.00 C ATOM 1406 C VAL A 87 -0.538 -1.599 -1.609 1.00 0.00 C ATOM 1407 O VAL A 87 -0.869 -2.430 -0.762 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.020 0.386 -1.225 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.819 1.243 -0.813 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.098 1.279 -1.853 1.00 0.00 C ATOM 0 H VAL A 87 -3.216 -1.944 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.149 -0.188 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.427 -0.106 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.140 1.999 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.060 0.609 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.401 1.731 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.407 2.037 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.696 1.765 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.959 0.670 -2.130 1.00 0.00 H new ATOM 1420 N HIS A 88 0.711 -1.457 -2.046 1.00 0.00 N ATOM 1421 CA HIS A 88 1.811 -2.271 -1.529 1.00 0.00 C ATOM 1422 C HIS A 88 2.924 -1.374 -1.012 1.00 0.00 C ATOM 1423 O HIS A 88 3.492 -0.576 -1.764 1.00 0.00 O ATOM 1424 CB HIS A 88 2.323 -3.227 -2.628 1.00 0.00 C ATOM 1425 CG HIS A 88 3.656 -3.855 -2.260 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.486 -4.405 -3.224 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.316 -4.031 -1.060 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.581 -4.877 -2.608 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.536 -4.678 -1.291 1.00 0.00 N ATOM 0 H HIS A 88 0.988 -0.783 -2.760 1.00 0.00 H new ATOM 0 HA HIS A 88 1.453 -2.877 -0.696 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.587 -4.013 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.426 -2.680 -3.565 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.298 -4.444 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.948 -3.718 -0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.401 -5.360 -3.119 1.00 0.00 H new ATOM 1438 N LEU A 89 3.209 -1.493 0.273 1.00 0.00 N ATOM 1439 CA LEU A 89 4.236 -0.706 0.925 1.00 0.00 C ATOM 1440 C LEU A 89 5.264 -1.604 1.590 1.00 0.00 C ATOM 1441 O LEU A 89 4.908 -2.504 2.364 1.00 0.00 O ATOM 1442 CB LEU A 89 3.613 0.248 1.965 1.00 0.00 C ATOM 1443 CG LEU A 89 4.707 1.155 2.567 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.126 2.530 2.910 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.264 0.513 3.845 1.00 0.00 C ATOM 0 H LEU A 89 2.730 -2.143 0.896 1.00 0.00 H new ATOM 0 HA LEU A 89 4.738 -0.111 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.841 0.857 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.129 -0.327 2.755 1.00 0.00 H new ATOM 0 HG LEU A 89 5.505 1.274 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.908 3.160 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.735 2.996 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.321 2.414 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.036 1.155 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.459 0.387 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.692 -0.460 3.606 1.00 0.00 H new ATOM 1457 N GLU A 90 6.530 -1.283 1.388 1.00 0.00 N ATOM 1458 CA GLU A 90 7.606 -1.949 2.093 1.00 0.00 C ATOM 1459 C GLU A 90 8.320 -0.977 2.989 1.00 0.00 C ATOM 1460 O GLU A 90 8.699 0.122 2.563 1.00 0.00 O ATOM 1461 CB GLU A 90 8.599 -2.613 1.142 1.00 0.00 C ATOM 1462 CG GLU A 90 7.942 -3.833 0.502 1.00 0.00 C ATOM 1463 CD GLU A 90 8.849 -4.459 -0.540 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.037 -4.194 -0.510 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.349 -5.218 -1.334 1.00 0.00 O ATOM 0 H GLU A 90 6.837 -0.560 0.737 1.00 0.00 H new ATOM 0 HA GLU A 90 7.156 -2.738 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.911 -1.907 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.497 -2.911 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.706 -4.568 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.999 -3.541 0.040 1.00 0.00 H new ATOM 1472 N ALA A 91 8.540 -1.393 4.206 1.00 0.00 N ATOM 1473 CA ALA A 91 9.250 -0.592 5.171 1.00 0.00 C ATOM 1474 C ALA A 91 10.265 -1.446 5.872 1.00 0.00 C ATOM 1475 O ALA A 91 10.132 -2.661 5.884 1.00 0.00 O ATOM 1476 CB ALA A 91 8.286 0.019 6.192 1.00 0.00 C ATOM 0 H ALA A 91 8.232 -2.299 4.559 1.00 0.00 H new ATOM 0 HA ALA A 91 9.751 0.224 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.847 0.619 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.563 0.652 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.760 -0.778 6.718 1.00 0.00 H new ATOM 1482 N LYS A 92 11.260 -0.836 6.476 1.00 0.00 N ATOM 1483 CA LYS A 92 12.215 -1.609 7.244 1.00 0.00 C ATOM 1484 C LYS A 92 12.415 -1.066 8.628 1.00 0.00 C ATOM 1485 O LYS A 92 12.712 0.124 8.807 1.00 0.00 O ATOM 1486 CB LYS A 92 13.558 -1.810 6.534 1.00 0.00 C ATOM 1487 CG LYS A 92 14.109 -0.484 6.000 1.00 0.00 C ATOM 1488 CD LYS A 92 15.537 -0.721 5.485 1.00 0.00 C ATOM 1489 CE LYS A 92 15.940 0.384 4.503 1.00 0.00 C ATOM 1490 NZ LYS A 92 15.473 1.716 4.974 1.00 0.00 N ATOM 0 H LYS A 92 11.429 0.170 6.454 1.00 0.00 H new ATOM 0 HA LYS A 92 11.762 -2.596 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.275 -2.252 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.435 -2.513 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.475 -0.106 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.111 0.270 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.234 -0.744 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.597 -1.692 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.024 0.395 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.517 0.174 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.146 2.448 4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.536 1.918 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.411 1.715 6.012 1.00 0.00 H new ATOM 1504 N GLU A 93 12.379 -1.960 9.599 1.00 0.00 N ATOM 1505 CA GLU A 93 12.687 -1.588 10.957 1.00 0.00 C ATOM 1506 C GLU A 93 14.149 -1.214 10.967 1.00 0.00 C ATOM 1507 O GLU A 93 14.988 -2.036 10.619 1.00 0.00 O ATOM 1508 CB GLU A 93 12.469 -2.791 11.885 1.00 0.00 C ATOM 1509 CG GLU A 93 10.985 -3.199 11.873 1.00 0.00 C ATOM 1510 CD GLU A 93 10.756 -4.465 12.692 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.695 -4.957 13.280 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.638 -4.929 12.710 1.00 0.00 O ATOM 0 H GLU A 93 12.140 -2.943 9.468 1.00 0.00 H new ATOM 0 HA GLU A 93 12.054 -0.769 11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.088 -3.628 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.778 -2.540 12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.378 -2.388 12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.658 -3.363 10.846 1.00 0.00 H new ATOM 1519 N SER A 94 14.445 0.051 11.203 1.00 0.00 N ATOM 1520 CA SER A 94 15.813 0.498 11.072 1.00 0.00 C ATOM 1521 C SER A 94 16.706 -0.254 12.050 1.00 0.00 C ATOM 1522 O SER A 94 17.320 -1.252 11.686 1.00 0.00 O ATOM 1523 CB SER A 94 15.929 2.027 11.234 1.00 0.00 C ATOM 1524 OG SER A 94 16.087 2.638 9.947 1.00 0.00 O ATOM 0 H SER A 94 13.774 0.768 11.479 1.00 0.00 H new ATOM 0 HA SER A 94 16.156 0.271 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.039 2.419 11.727 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.779 2.272 11.870 1.00 0.00 H new ATOM 0 HG SER A 94 15.366 3.286 9.802 1.00 0.00 H new ATOM 1604 N GLN A 99 9.484 3.769 14.242 1.00 0.00 N ATOM 1605 CA GLN A 99 8.870 3.345 12.981 1.00 0.00 C ATOM 1606 C GLN A 99 9.912 2.927 11.935 1.00 0.00 C ATOM 1607 O GLN A 99 10.973 3.555 11.804 1.00 0.00 O ATOM 1608 CB GLN A 99 7.945 4.439 12.415 1.00 0.00 C ATOM 1609 CG GLN A 99 7.154 5.122 13.550 1.00 0.00 C ATOM 1610 CD GLN A 99 5.833 4.395 13.808 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.771 5.026 13.842 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.824 3.115 14.008 1.00 0.00 N ATOM 0 HA GLN A 99 8.268 2.465 13.209 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.536 5.181 11.879 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.254 4.001 11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.752 5.132 14.461 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.957 6.161 13.287 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.697 2.588 13.981 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.944 2.634 14.192 1.00 0.00 H new ATOM 1621 N PRO A 100 9.614 1.903 11.175 1.00 0.00 N ATOM 1622 CA PRO A 100 10.511 1.409 10.085 1.00 0.00 C ATOM 1623 C PRO A 100 10.597 2.389 8.907 1.00 0.00 C ATOM 1624 O PRO A 100 9.649 3.138 8.639 1.00 0.00 O ATOM 1625 CB PRO A 100 9.847 0.099 9.662 1.00 0.00 C ATOM 1626 CG PRO A 100 8.396 0.327 9.906 1.00 0.00 C ATOM 1627 CD PRO A 100 8.314 1.190 11.163 1.00 0.00 C ATOM 0 HA PRO A 100 11.542 1.291 10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.044 -0.126 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.221 -0.743 10.245 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.931 0.828 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.870 -0.618 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.475 1.885 11.120 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.180 0.584 12.059 1.00 0.00 H new ATOM 1635 N ASP A 101 11.718 2.350 8.189 1.00 0.00 N ATOM 1636 CA ASP A 101 11.916 3.204 7.014 1.00 0.00 C ATOM 1637 C ASP A 101 10.993 2.721 5.915 1.00 0.00 C ATOM 1638 O ASP A 101 10.904 1.520 5.702 1.00 0.00 O ATOM 1639 CB ASP A 101 13.354 3.066 6.466 1.00 0.00 C ATOM 1640 CG ASP A 101 14.427 3.121 7.540 1.00 0.00 C ATOM 1641 OD1 ASP A 101 14.184 3.668 8.595 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.505 2.608 7.279 1.00 0.00 O ATOM 0 H ASP A 101 12.505 1.736 8.399 1.00 0.00 H new ATOM 0 HA ASP A 101 11.722 4.236 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.439 2.122 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.535 3.861 5.743 1.00 0.00 H new ATOM 1647 N PHE A 102 10.428 3.633 5.122 1.00 0.00 N ATOM 1648 CA PHE A 102 9.635 3.212 3.966 1.00 0.00 C ATOM 1649 C PHE A 102 10.559 2.847 2.816 1.00 0.00 C ATOM 1650 O PHE A 102 11.098 3.723 2.134 1.00 0.00 O ATOM 1651 CB PHE A 102 8.676 4.325 3.512 1.00 0.00 C ATOM 1652 CG PHE A 102 7.612 4.544 4.551 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.611 3.590 4.718 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.612 5.705 5.334 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.611 3.785 5.664 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.609 5.900 6.288 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.607 4.938 6.447 1.00 0.00 C ATOM 0 H PHE A 102 10.501 4.642 5.253 1.00 0.00 H new ATOM 0 HA PHE A 102 9.044 2.345 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.230 5.249 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.217 4.055 2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.612 2.697 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.385 6.448 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.837 3.043 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.608 6.790 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.827 5.089 7.179 1.00 0.00 H new ATOM 1667 N ILE A 103 10.767 1.558 2.620 1.00 0.00 N ATOM 1668 CA ILE A 103 11.617 1.070 1.548 1.00 0.00 C ATOM 1669 C ILE A 103 10.983 1.371 0.210 1.00 0.00 C ATOM 1670 O ILE A 103 11.654 1.782 -0.732 1.00 0.00 O ATOM 1671 CB ILE A 103 11.818 -0.448 1.688 1.00 0.00 C ATOM 1672 CG1 ILE A 103 12.615 -0.746 2.954 1.00 0.00 C ATOM 1673 CG2 ILE A 103 12.589 -0.995 0.480 1.00 0.00 C ATOM 1674 CD1 ILE A 103 12.627 -2.256 3.206 1.00 0.00 C ATOM 0 H ILE A 103 10.355 0.823 3.195 1.00 0.00 H new ATOM 0 HA ILE A 103 12.584 1.570 1.610 1.00 0.00 H new ATOM 0 HB ILE A 103 10.839 -0.924 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.635 -0.376 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.173 -0.228 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.725 -2.071 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.027 -0.793 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.564 -0.511 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.196 -2.469 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.604 -2.613 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.089 -2.763 2.359 1.00 0.00 H new ATOM 1686 N ASN A 104 9.695 1.092 0.124 1.00 0.00 N ATOM 1687 CA ASN A 104 8.951 1.223 -1.114 1.00 0.00 C ATOM 1688 C ASN A 104 7.480 1.328 -0.819 1.00 0.00 C ATOM 1689 O ASN A 104 7.009 0.774 0.170 1.00 0.00 O ATOM 1690 CB ASN A 104 9.179 -0.016 -1.990 1.00 0.00 C ATOM 1691 CG ASN A 104 8.338 0.066 -3.254 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.730 -0.922 -3.654 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.256 1.187 -3.907 1.00 0.00 N ATOM 0 H ASN A 104 9.135 0.768 0.912 1.00 0.00 H new ATOM 0 HA ASN A 104 9.293 2.119 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.234 -0.095 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.921 -0.916 -1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.687 1.245 -4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.761 2.009 -3.575 1.00 0.00 H new ATOM 1700 N MET A 105 6.743 1.934 -1.720 1.00 0.00 N ATOM 1701 CA MET A 105 5.305 1.989 -1.598 1.00 0.00 C ATOM 1702 C MET A 105 4.664 2.431 -2.907 1.00 0.00 C ATOM 1703 O MET A 105 5.063 3.451 -3.498 1.00 0.00 O ATOM 1704 CB MET A 105 4.881 2.856 -0.382 1.00 0.00 C ATOM 1705 CG MET A 105 4.175 4.139 -0.820 1.00 0.00 C ATOM 1706 SD MET A 105 2.515 3.748 -1.437 1.00 0.00 S ATOM 1707 CE MET A 105 1.781 3.291 0.149 1.00 0.00 C ATOM 0 H MET A 105 7.117 2.397 -2.548 1.00 0.00 H new ATOM 0 HA MET A 105 4.931 0.985 -1.399 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.219 2.279 0.263 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.761 3.109 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.107 4.832 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.754 4.636 -1.598 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.698 3.405 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.025 2.254 0.378 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.176 3.938 0.932 1.00 0.00 H new ATOM 1717 N TYR A 106 3.705 1.647 -3.383 1.00 0.00 N ATOM 1718 CA TYR A 106 3.023 1.953 -4.630 1.00 0.00 C ATOM 1719 C TYR A 106 1.569 1.520 -4.588 1.00 0.00 C ATOM 1720 O TYR A 106 1.173 0.697 -3.750 1.00 0.00 O ATOM 1721 CB TYR A 106 3.738 1.332 -5.843 1.00 0.00 C ATOM 1722 CG TYR A 106 3.762 -0.174 -5.746 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.821 -0.815 -5.102 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.729 -0.927 -6.315 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.850 -2.205 -5.023 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.756 -2.319 -6.236 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.818 -2.960 -5.590 1.00 0.00 C ATOM 1728 OH TYR A 106 3.847 -4.340 -5.503 1.00 0.00 O ATOM 0 H TYR A 106 3.383 0.795 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 106 3.052 3.036 -4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.232 1.633 -6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.758 1.712 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.619 -0.233 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.911 -0.430 -6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.670 -2.700 -4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.958 -2.901 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 106 3.056 -4.712 -5.946 1.00 0.00 H new ATOM 1738 N VAL A 107 0.778 2.087 -5.480 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.639 1.798 -5.552 1.00 0.00 C ATOM 1740 C VAL A 107 -0.957 1.114 -6.872 1.00 0.00 C ATOM 1741 O VAL A 107 -0.587 1.607 -7.946 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.421 3.114 -5.433 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.905 2.896 -5.742 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.263 3.668 -4.020 1.00 0.00 C ATOM 0 H VAL A 107 1.101 2.761 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.925 1.132 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.023 3.826 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.438 3.842 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.013 2.515 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.321 2.176 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.817 4.603 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.651 2.947 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.208 3.851 -3.817 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.632 -0.015 -6.787 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.012 -0.778 -7.956 1.00 0.00 C ATOM 1756 C ASP A 108 -3.489 -0.551 -8.266 1.00 0.00 C ATOM 1757 O ASP A 108 -4.370 -1.098 -7.584 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.751 -2.268 -7.701 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.719 -3.044 -9.004 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.255 -2.568 -9.983 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.162 -4.117 -9.006 1.00 0.00 O ATOM 0 H ASP A 108 -1.932 -0.428 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.419 -0.451 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.803 -2.391 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.528 -2.671 -7.052 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.765 0.238 -9.289 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.137 0.528 -9.685 1.00 0.00 C ATOM 1768 C VAL A 109 -5.510 -0.276 -10.934 1.00 0.00 C ATOM 1769 O VAL A 109 -4.851 -0.158 -11.971 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.296 2.040 -9.949 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.754 2.367 -10.295 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.883 2.825 -8.694 1.00 0.00 C ATOM 0 H VAL A 109 -3.056 0.692 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.809 0.239 -8.877 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.659 2.322 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.853 3.437 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.048 1.816 -11.188 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.398 2.081 -9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.995 3.893 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.518 2.534 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.843 2.606 -8.454 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.498 -1.136 -10.843 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.888 -1.998 -12.004 1.00 0.00 C ATOM 1784 C PRO A 110 -7.317 -1.143 -13.193 1.00 0.00 C ATOM 1785 O PRO A 110 -7.998 -0.131 -13.025 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.085 -2.808 -11.473 1.00 0.00 C ATOM 1787 CG PRO A 110 -7.991 -2.706 -9.988 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.434 -1.320 -9.720 1.00 0.00 C ATOM 0 HA PRO A 110 -6.068 -2.625 -12.354 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.029 -2.403 -11.838 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.036 -3.846 -11.801 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.968 -2.835 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.339 -3.478 -9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.217 -0.561 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.929 -1.264 -8.756 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.943 -1.561 -14.384 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.289 -0.824 -15.593 1.00 0.00 C ATOM 1798 C GLY A 111 -6.434 0.428 -15.714 1.00 0.00 C ATOM 1799 O GLY A 111 -6.509 1.149 -16.715 1.00 0.00 O ATOM 0 H GLY A 111 -6.398 -2.408 -14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.142 -1.458 -16.467 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.344 -0.551 -15.571 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.613 0.668 -14.701 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.706 1.804 -14.665 1.00 0.00 C ATOM 1805 C GLU A 112 -3.298 1.306 -14.385 1.00 0.00 C ATOM 1806 O GLU A 112 -3.104 0.128 -14.046 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.135 2.778 -13.557 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.508 3.389 -13.890 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.427 4.299 -15.103 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.345 4.774 -15.411 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.444 4.502 -15.724 1.00 0.00 O ATOM 0 H GLU A 112 -5.558 0.073 -13.874 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.732 2.321 -15.624 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.183 2.255 -12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.393 3.569 -13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.227 2.592 -14.078 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.875 3.954 -13.033 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.324 2.192 -14.475 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.964 1.823 -14.147 1.00 0.00 C ATOM 1820 C LYS A 113 -0.736 1.922 -12.656 1.00 0.00 C ATOM 1821 O LYS A 113 -1.285 2.801 -11.984 1.00 0.00 O ATOM 1822 CB LYS A 113 0.052 2.699 -14.881 1.00 0.00 C ATOM 1823 CG LYS A 113 0.429 2.027 -16.205 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.805 1.927 -17.105 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.470 1.137 -18.370 1.00 0.00 C ATOM 1826 NZ LYS A 113 0.932 1.407 -18.793 1.00 0.00 N ATOM 0 H LYS A 113 -2.448 3.161 -14.769 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.820 0.792 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.369 3.687 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.940 2.841 -14.265 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.210 2.600 -16.705 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.835 1.033 -16.016 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.618 1.440 -16.567 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.152 2.925 -17.372 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.603 0.071 -18.187 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.157 1.411 -19.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 1.046 1.157 -19.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.146 2.416 -18.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.584 0.837 -18.217 1.00 0.00 H new ATOM 1840 N ARG A 114 0.129 1.077 -12.164 1.00 0.00 N ATOM 1841 CA ARG A 114 0.524 1.101 -10.774 1.00 0.00 C ATOM 1842 C ARG A 114 1.193 2.436 -10.485 1.00 0.00 C ATOM 1843 O ARG A 114 1.969 2.929 -11.308 1.00 0.00 O ATOM 1844 CB ARG A 114 1.515 -0.043 -10.535 1.00 0.00 C ATOM 1845 CG ARG A 114 2.797 0.252 -11.327 1.00 0.00 C ATOM 1846 CD ARG A 114 3.720 -0.958 -11.330 1.00 0.00 C ATOM 1847 NE ARG A 114 4.986 -0.596 -11.970 1.00 0.00 N ATOM 1848 CZ ARG A 114 6.060 -1.384 -11.950 1.00 0.00 C ATOM 1849 NH1 ARG A 114 6.027 -2.523 -11.308 1.00 0.00 N ATOM 1850 NH2 ARG A 114 7.151 -0.999 -12.551 1.00 0.00 N ATOM 0 H ARG A 114 0.584 0.348 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.340 0.979 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.739 -0.135 -9.472 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.083 -0.992 -10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.543 0.524 -12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.312 1.107 -10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.898 -1.297 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.253 -1.786 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 114 5.049 0.300 -12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.178 -2.810 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.851 -3.125 -11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.178 -0.100 -13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.977 -1.597 -12.540 1.00 0.00 H new ATOM 1864 N TYR A 115 0.910 3.028 -9.345 1.00 0.00 N ATOM 1865 CA TYR A 115 1.537 4.296 -9.006 1.00 0.00 C ATOM 1866 C TYR A 115 2.531 4.102 -7.890 1.00 0.00 C ATOM 1867 O TYR A 115 2.157 3.676 -6.793 1.00 0.00 O ATOM 1868 CB TYR A 115 0.498 5.335 -8.587 1.00 0.00 C ATOM 1869 CG TYR A 115 1.181 6.675 -8.427 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.350 7.505 -9.540 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.654 7.078 -7.175 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.993 8.736 -9.402 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.296 8.313 -7.037 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.466 9.141 -8.150 1.00 0.00 C ATOM 1875 OH TYR A 115 3.104 10.352 -8.014 1.00 0.00 O ATOM 0 H TYR A 115 0.263 2.664 -8.646 1.00 0.00 H new ATOM 0 HA TYR A 115 2.051 4.661 -9.896 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.292 5.401 -9.336 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.025 5.039 -7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.983 7.193 -10.507 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.524 6.437 -6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.125 9.376 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.660 8.627 -6.070 1.00 0.00 H new ATOM 0 HH TYR A 115 3.368 10.479 -7.079 1.00 0.00 H new ATOM 1885 N TYR A 116 3.775 4.495 -8.124 1.00 0.00 N ATOM 1886 CA TYR A 116 4.784 4.419 -7.082 1.00 0.00 C ATOM 1887 C TYR A 116 4.829 5.694 -6.295 1.00 0.00 C ATOM 1888 O TYR A 116 5.507 6.648 -6.671 1.00 0.00 O ATOM 1889 CB TYR A 116 6.169 4.093 -7.656 1.00 0.00 C ATOM 1890 CG TYR A 116 6.293 2.600 -7.829 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.660 1.961 -8.895 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.036 1.854 -6.906 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.764 0.581 -9.041 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.144 0.467 -7.056 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.504 -0.169 -8.125 1.00 0.00 C ATOM 1896 OH TYR A 116 6.596 -1.541 -8.276 1.00 0.00 O ATOM 0 H TYR A 116 4.105 4.865 -9.015 1.00 0.00 H new ATOM 0 HA TYR A 116 4.503 3.605 -6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.307 4.595 -8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.949 4.460 -6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.089 2.538 -9.608 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.525 2.348 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.271 0.088 -9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.720 -0.111 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 116 7.147 -1.913 -7.556 1.00 0.00 H new ATOM 1906 N LEU A 117 4.183 5.672 -5.154 1.00 0.00 N ATOM 1907 CA LEU A 117 4.203 6.790 -4.243 1.00 0.00 C ATOM 1908 C LEU A 117 5.620 7.020 -3.757 1.00 0.00 C ATOM 1909 O LEU A 117 6.088 8.157 -3.693 1.00 0.00 O ATOM 1910 CB LEU A 117 3.249 6.534 -3.072 1.00 0.00 C ATOM 1911 CG LEU A 117 3.282 7.699 -2.071 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.865 8.997 -2.759 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.322 7.402 -0.916 1.00 0.00 C ATOM 0 H LEU A 117 3.629 4.879 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 117 3.864 7.689 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.234 6.401 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.527 5.608 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 117 4.296 7.812 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.892 9.815 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.551 9.211 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.853 8.892 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.343 8.227 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.311 7.284 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.628 6.483 -0.416 1.00 0.00 H new ATOM 1925 N ILE A 118 6.310 5.931 -3.445 1.00 0.00 N ATOM 1926 CA ILE A 118 7.684 6.007 -2.975 1.00 0.00 C ATOM 1927 C ILE A 118 8.603 5.223 -3.913 1.00 0.00 C ATOM 1928 O ILE A 118 8.403 4.019 -4.143 1.00 0.00 O ATOM 1929 CB ILE A 118 7.773 5.441 -1.540 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.900 6.285 -0.598 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.223 5.459 -1.033 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.871 5.642 0.790 1.00 0.00 C ATOM 0 H ILE A 118 5.938 4.983 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 118 8.004 7.049 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 118 7.419 4.410 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.294 7.299 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.888 6.362 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.260 5.056 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.845 4.850 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.594 6.484 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.251 6.242 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.456 4.637 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.885 5.588 1.187 1.00 0.00 H new ATOM 1944 N LYS A 119 9.635 5.895 -4.416 1.00 0.00 N ATOM 1945 CA LYS A 119 10.619 5.263 -5.285 1.00 0.00 C ATOM 1946 C LYS A 119 11.719 4.635 -4.435 1.00 0.00 C ATOM 1947 O LYS A 119 12.468 5.346 -3.762 1.00 0.00 O ATOM 1948 CB LYS A 119 11.239 6.289 -6.250 1.00 0.00 C ATOM 1949 CG LYS A 119 10.164 7.262 -6.782 1.00 0.00 C ATOM 1950 CD LYS A 119 9.110 6.496 -7.606 1.00 0.00 C ATOM 1951 CE LYS A 119 8.818 7.247 -8.916 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.583 8.692 -8.634 1.00 0.00 N ATOM 0 H LYS A 119 9.811 6.883 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 119 10.118 4.494 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.022 6.849 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.712 5.771 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.682 7.774 -5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.631 8.029 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.469 5.491 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.193 6.387 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.656 7.134 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.944 6.817 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.888 9.069 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.220 8.802 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.477 9.214 -8.730 1.00 0.00 H new ATOM 1966 N PRO A 120 11.770 3.332 -4.370 1.00 0.00 N ATOM 1967 CA PRO A 120 12.746 2.640 -3.493 1.00 0.00 C ATOM 1968 C PRO A 120 14.185 2.782 -3.949 1.00 0.00 C ATOM 1969 O PRO A 120 14.478 2.815 -5.151 1.00 0.00 O ATOM 1970 CB PRO A 120 12.313 1.188 -3.538 1.00 0.00 C ATOM 1971 CG PRO A 120 11.728 1.024 -4.899 1.00 0.00 C ATOM 1972 CD PRO A 120 11.053 2.356 -5.227 1.00 0.00 C ATOM 0 HA PRO A 120 12.740 3.072 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.157 0.516 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.582 0.966 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.501 0.787 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.008 0.206 -4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.149 2.604 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.987 2.331 -5.001 1.00 0.00 H new ATOM 1980 N LYS A 121 15.074 2.703 -2.993 1.00 0.00 N ATOM 1981 CA LYS A 121 16.499 2.658 -3.246 1.00 0.00 C ATOM 1982 C LYS A 121 16.831 1.305 -3.850 1.00 0.00 C ATOM 1983 O LYS A 121 17.367 0.427 -3.161 1.00 0.00 O ATOM 1984 CB LYS A 121 17.270 2.799 -1.922 1.00 0.00 C ATOM 1985 CG LYS A 121 16.340 2.512 -0.716 1.00 0.00 C ATOM 1986 CD LYS A 121 15.732 1.091 -0.784 1.00 0.00 C ATOM 1987 CE LYS A 121 16.639 0.081 -0.050 1.00 0.00 C ATOM 1988 NZ LYS A 121 17.748 -0.346 -0.944 1.00 0.00 N ATOM 0 H LYS A 121 14.830 2.667 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 121 16.778 3.469 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.113 2.108 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.681 3.805 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.903 2.623 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.538 3.250 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.739 1.092 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.610 0.790 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.044 0.533 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.056 -0.786 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 17.952 -1.354 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.471 -0.200 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.598 0.216 -0.736 1.00 0.00 H new