USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 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 89 THR OG1 : rot 180:sc= -1.96! USER MOD Set 1.2: A 99 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl -156:sc= -5.9! (180deg=-7.71!) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 MET CE :methyl -115:sc= -22.5! (180deg=-25.8!) USER MOD Set 3.2: A 80 MET CE :methyl -120:sc= -2.79 (180deg=-7.66!) USER MOD Set 4.1: A 21 MET CE :methyl -109:sc= -7.91! (180deg=-16.5!) USER MOD Set 4.2: A 76 TYR OH : rot 85:sc= -10! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 77:sc= 0.268 USER MOD Single : A 29 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 33 SER OG : rot -78:sc= 0.934 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -6.47! C(o=-6.5!,f=-7.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 101:sc= 1.17 USER MOD Single : A 63 HIS : no HD1:sc= -11.9! C(o=-12!,f=-17!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 101:sc= 0.862 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= -0.507 (180deg=-2.07!) USER MOD Single : A 83 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 88 HIS : no HE2:sc= -28.4! C(o=-28!,f=-32!) USER MOD Single : A 91 ASN : amide:sc= -0.44 K(o=-0.44,f=-3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -1:sc= 0.518 USER MOD Single : A 96 SER OG : rot 46:sc= 0.119 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 3.672 10.682 -4.621 1.00 0.00 N ATOM 28 CA PRO A 14 5.085 10.985 -4.558 1.00 0.00 C ATOM 29 C PRO A 14 5.891 9.723 -4.827 1.00 0.00 C ATOM 30 O PRO A 14 7.120 9.750 -4.799 1.00 0.00 O ATOM 31 CB PRO A 14 5.315 11.489 -3.134 1.00 0.00 C ATOM 32 CG PRO A 14 4.251 10.737 -2.335 1.00 0.00 C ATOM 33 CD PRO A 14 3.072 10.693 -3.304 1.00 0.00 C ATOM 0 HA PRO A 14 5.394 11.723 -5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.321 11.262 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.188 12.569 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.585 9.737 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.996 11.256 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.460 9.806 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.421 11.558 -3.174 1.00 0.00 H new ATOM 41 N LEU A 15 5.196 8.613 -5.087 1.00 0.00 N ATOM 42 CA LEU A 15 5.849 7.347 -5.357 1.00 0.00 C ATOM 43 C LEU A 15 5.477 6.861 -6.751 1.00 0.00 C ATOM 44 O LEU A 15 4.704 7.511 -7.451 1.00 0.00 O ATOM 45 CB LEU A 15 5.435 6.326 -4.301 1.00 0.00 C ATOM 46 CG LEU A 15 4.706 7.037 -3.165 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.712 6.077 -2.518 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.718 7.502 -2.122 1.00 0.00 C ATOM 0 H LEU A 15 4.177 8.574 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 15 6.931 7.476 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.788 5.569 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.314 5.808 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 15 4.171 7.900 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.191 6.585 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.988 5.746 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.246 5.213 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.197 8.010 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.254 6.640 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.427 8.189 -2.584 1.00 0.00 H new ATOM 60 N THR A 16 6.029 5.714 -7.153 1.00 0.00 N ATOM 61 CA THR A 16 5.750 5.152 -8.458 1.00 0.00 C ATOM 62 C THR A 16 5.646 3.637 -8.359 1.00 0.00 C ATOM 63 O THR A 16 4.703 3.041 -8.874 1.00 0.00 O ATOM 64 CB THR A 16 6.853 5.555 -9.432 1.00 0.00 C ATOM 65 OG1 THR A 16 7.487 6.725 -8.964 1.00 0.00 O ATOM 66 CG2 THR A 16 6.247 5.820 -10.807 1.00 0.00 C ATOM 0 H THR A 16 6.672 5.162 -6.585 1.00 0.00 H new ATOM 0 HA THR A 16 4.799 5.537 -8.826 1.00 0.00 H new ATOM 0 HB THR A 16 7.584 4.750 -9.507 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.197 6.984 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.035 6.108 -11.503 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.756 4.916 -11.169 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.516 6.625 -10.733 1.00 0.00 H new ATOM 74 N VAL A 17 6.622 3.014 -7.693 1.00 0.00 N ATOM 75 CA VAL A 17 6.637 1.574 -7.529 1.00 0.00 C ATOM 76 C VAL A 17 7.994 1.131 -7.002 1.00 0.00 C ATOM 77 O VAL A 17 8.084 0.164 -6.249 1.00 0.00 O ATOM 78 CB VAL A 17 6.332 0.907 -8.867 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.434 -0.094 -9.199 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.994 0.179 -8.778 1.00 0.00 C ATOM 0 H VAL A 17 7.411 3.494 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 17 5.875 1.277 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 17 6.282 1.665 -9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.217 -0.571 -10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.390 0.425 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.484 -0.853 -8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.775 -0.298 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.044 -0.579 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.206 0.894 -8.540 1.00 0.00 H new ATOM 90 N LYS A 18 9.052 1.842 -7.399 1.00 0.00 N ATOM 91 CA LYS A 18 10.396 1.518 -6.964 1.00 0.00 C ATOM 92 C LYS A 18 10.807 2.437 -5.823 1.00 0.00 C ATOM 93 O LYS A 18 11.988 2.535 -5.496 1.00 0.00 O ATOM 94 CB LYS A 18 11.358 1.655 -8.141 1.00 0.00 C ATOM 95 CG LYS A 18 11.061 0.566 -9.169 1.00 0.00 C ATOM 96 CD LYS A 18 12.241 -0.398 -9.244 1.00 0.00 C ATOM 97 CE LYS A 18 11.725 -1.819 -9.451 1.00 0.00 C ATOM 98 NZ LYS A 18 11.886 -2.623 -8.230 1.00 0.00 N ATOM 0 H LYS A 18 8.995 2.647 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 18 10.426 0.490 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.254 2.639 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.388 1.572 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.155 0.027 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.880 1.013 -10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.902 -0.117 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.828 -0.343 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.673 -1.790 -9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.264 -2.289 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.527 -3.585 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.893 -2.669 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.351 -2.185 -7.453 1.00 0.00 H new ATOM 112 N SER A 19 9.828 3.112 -5.216 1.00 0.00 N ATOM 113 CA SER A 19 10.093 4.017 -4.116 1.00 0.00 C ATOM 114 C SER A 19 10.525 3.226 -2.889 1.00 0.00 C ATOM 115 O SER A 19 10.091 2.093 -2.693 1.00 0.00 O ATOM 116 CB SER A 19 8.840 4.835 -3.819 1.00 0.00 C ATOM 117 OG SER A 19 9.212 6.132 -3.408 1.00 0.00 O ATOM 0 H SER A 19 8.844 3.042 -5.475 1.00 0.00 H new ATOM 0 HA SER A 19 10.900 4.698 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.210 4.890 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.252 4.350 -3.040 1.00 0.00 H new ATOM 0 HG SER A 19 8.407 6.659 -3.219 1.00 0.00 H new ATOM 123 N ASP A 20 11.381 3.828 -2.060 1.00 0.00 N ATOM 124 CA ASP A 20 11.866 3.179 -0.858 1.00 0.00 C ATOM 125 C ASP A 20 10.735 2.400 -0.202 1.00 0.00 C ATOM 126 O ASP A 20 9.784 2.991 0.305 1.00 0.00 O ATOM 127 CB ASP A 20 12.423 4.231 0.097 1.00 0.00 C ATOM 128 CG ASP A 20 13.945 4.224 0.084 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.515 3.365 0.790 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.510 5.079 -0.632 1.00 0.00 O ATOM 0 H ASP A 20 11.749 4.768 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 20 12.663 2.480 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.057 5.217 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.063 4.038 1.108 1.00 0.00 H new ATOM 136 N MET A 21 10.839 1.069 -0.213 1.00 0.00 N ATOM 137 CA MET A 21 9.824 0.220 0.379 1.00 0.00 C ATOM 138 C MET A 21 9.373 0.803 1.710 1.00 0.00 C ATOM 139 O MET A 21 8.176 0.943 1.956 1.00 0.00 O ATOM 140 CB MET A 21 10.386 -1.186 0.569 1.00 0.00 C ATOM 141 CG MET A 21 10.028 -2.045 -0.641 1.00 0.00 C ATOM 142 SD MET A 21 11.201 -1.910 -2.012 1.00 0.00 S ATOM 143 CE MET A 21 10.370 -0.625 -2.978 1.00 0.00 C ATOM 0 H MET A 21 11.621 0.563 -0.628 1.00 0.00 H new ATOM 0 HA MET A 21 8.959 0.167 -0.283 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.468 -1.143 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.981 -1.632 1.477 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.968 -3.088 -0.329 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.037 -1.761 -0.995 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.957 -1.063 -3.887 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.565 -0.189 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.087 0.152 -3.243 1.00 0.00 H new ATOM 153 N SER A 22 10.335 1.145 2.570 1.00 0.00 N ATOM 154 CA SER A 22 10.031 1.712 3.869 1.00 0.00 C ATOM 155 C SER A 22 9.251 3.007 3.697 1.00 0.00 C ATOM 156 O SER A 22 8.391 3.329 4.515 1.00 0.00 O ATOM 157 CB SER A 22 11.330 1.960 4.630 1.00 0.00 C ATOM 158 OG SER A 22 11.108 1.774 6.010 1.00 0.00 O ATOM 0 H SER A 22 11.331 1.035 2.382 1.00 0.00 H new ATOM 0 HA SER A 22 9.417 1.015 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.105 1.278 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.687 2.972 4.441 1.00 0.00 H new ATOM 0 HG SER A 22 11.067 0.815 6.208 1.00 0.00 H new ATOM 164 N ALA A 23 9.552 3.750 2.630 1.00 0.00 N ATOM 165 CA ALA A 23 8.879 5.004 2.357 1.00 0.00 C ATOM 166 C ALA A 23 7.447 4.736 1.915 1.00 0.00 C ATOM 167 O ALA A 23 6.548 5.521 2.207 1.00 0.00 O ATOM 168 CB ALA A 23 9.644 5.767 1.279 1.00 0.00 C ATOM 0 H ALA A 23 10.262 3.496 1.943 1.00 0.00 H new ATOM 0 HA ALA A 23 8.851 5.610 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.139 6.710 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.658 5.967 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.682 5.169 0.368 1.00 0.00 H new ATOM 174 N ILE A 24 7.238 3.622 1.209 1.00 0.00 N ATOM 175 CA ILE A 24 5.920 3.254 0.732 1.00 0.00 C ATOM 176 C ILE A 24 5.015 2.935 1.913 1.00 0.00 C ATOM 177 O ILE A 24 3.970 3.559 2.084 1.00 0.00 O ATOM 178 CB ILE A 24 6.035 2.053 -0.202 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.666 2.491 -1.521 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.646 1.481 -0.469 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.910 3.698 -2.070 1.00 0.00 C ATOM 0 H ILE A 24 7.974 2.962 0.959 1.00 0.00 H new ATOM 0 HA ILE A 24 5.483 4.086 0.180 1.00 0.00 H new ATOM 0 HB ILE A 24 6.659 1.290 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.715 2.744 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.637 1.672 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.728 0.623 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.195 1.167 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.022 2.244 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.360 4.012 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.867 3.429 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.962 4.517 -1.353 1.00 0.00 H new ATOM 193 N VAL A 25 5.419 1.959 2.731 1.00 0.00 N ATOM 194 CA VAL A 25 4.645 1.563 3.890 1.00 0.00 C ATOM 195 C VAL A 25 4.358 2.780 4.758 1.00 0.00 C ATOM 196 O VAL A 25 3.245 2.942 5.254 1.00 0.00 O ATOM 197 CB VAL A 25 5.414 0.506 4.677 1.00 0.00 C ATOM 198 CG1 VAL A 25 6.247 1.184 5.760 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.428 -0.462 5.325 1.00 0.00 C ATOM 0 H VAL A 25 6.283 1.432 2.603 1.00 0.00 H new ATOM 0 HA VAL A 25 3.694 1.138 3.570 1.00 0.00 H new ATOM 0 HB VAL A 25 6.072 -0.042 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.796 0.429 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.951 1.876 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.590 1.732 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.976 -1.218 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.770 0.086 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.832 -0.947 4.551 1.00 0.00 H new ATOM 209 N ARG A 26 5.366 3.636 4.940 1.00 0.00 N ATOM 210 CA ARG A 26 5.218 4.831 5.746 1.00 0.00 C ATOM 211 C ARG A 26 4.094 5.693 5.189 1.00 0.00 C ATOM 212 O ARG A 26 3.247 6.172 5.939 1.00 0.00 O ATOM 213 CB ARG A 26 6.535 5.602 5.757 1.00 0.00 C ATOM 214 CG ARG A 26 7.069 5.675 7.185 1.00 0.00 C ATOM 215 CD ARG A 26 7.768 4.365 7.535 1.00 0.00 C ATOM 216 NE ARG A 26 9.146 4.603 7.964 1.00 0.00 N ATOM 217 CZ ARG A 26 9.883 3.674 8.588 1.00 0.00 C ATOM 218 NH1 ARG A 26 9.362 2.466 8.843 1.00 0.00 N ATOM 219 NH2 ARG A 26 11.140 3.953 8.958 1.00 0.00 N ATOM 0 H ARG A 26 6.294 3.515 4.534 1.00 0.00 H new ATOM 0 HA ARG A 26 4.964 4.555 6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.262 5.111 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.384 6.607 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.765 6.508 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.251 5.860 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.219 3.857 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.762 3.703 6.669 1.00 0.00 H new ATOM 0 HE ARG A 26 9.564 5.515 7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.405 2.254 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.923 1.759 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.536 4.873 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.701 3.246 9.433 1.00 0.00 H new ATOM 233 N VAL A 27 4.088 5.889 3.868 1.00 0.00 N ATOM 234 CA VAL A 27 3.070 6.689 3.218 1.00 0.00 C ATOM 235 C VAL A 27 1.690 6.159 3.578 1.00 0.00 C ATOM 236 O VAL A 27 0.896 6.862 4.199 1.00 0.00 O ATOM 237 CB VAL A 27 3.286 6.656 1.708 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.182 7.453 1.019 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.641 7.273 1.374 1.00 0.00 C ATOM 0 H VAL A 27 4.784 5.499 3.233 1.00 0.00 H new ATOM 0 HA VAL A 27 3.140 7.722 3.559 1.00 0.00 H new ATOM 0 HB VAL A 27 3.261 5.623 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.336 7.430 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.213 7.014 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.207 8.486 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.796 7.249 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.666 8.306 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.431 6.705 1.866 1.00 0.00 H new ATOM 249 N MET A 28 1.405 4.915 3.187 1.00 0.00 N ATOM 250 CA MET A 28 0.123 4.301 3.470 1.00 0.00 C ATOM 251 C MET A 28 -0.271 4.569 4.915 1.00 0.00 C ATOM 252 O MET A 28 -1.433 4.850 5.203 1.00 0.00 O ATOM 253 CB MET A 28 0.209 2.801 3.203 1.00 0.00 C ATOM 254 CG MET A 28 0.829 2.563 1.829 1.00 0.00 C ATOM 255 SD MET A 28 0.217 1.079 0.993 1.00 0.00 S ATOM 256 CE MET A 28 0.935 -0.180 2.077 1.00 0.00 C ATOM 0 H MET A 28 2.053 4.318 2.672 1.00 0.00 H new ATOM 0 HA MET A 28 -0.641 4.730 2.821 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.810 2.318 3.973 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.785 2.355 3.247 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.633 3.430 1.198 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.911 2.486 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.669 -0.763 1.521 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.422 0.304 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.147 -0.840 2.440 1.00 0.00 H new ATOM 266 N GLN A 29 0.701 4.481 5.827 1.00 0.00 N ATOM 267 CA GLN A 29 0.450 4.713 7.235 1.00 0.00 C ATOM 268 C GLN A 29 -0.065 6.130 7.442 1.00 0.00 C ATOM 269 O GLN A 29 -1.040 6.339 8.160 1.00 0.00 O ATOM 270 CB GLN A 29 1.738 4.485 8.022 1.00 0.00 C ATOM 271 CG GLN A 29 1.736 3.075 8.605 1.00 0.00 C ATOM 272 CD GLN A 29 3.088 2.740 9.220 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.643 1.674 8.962 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.616 3.654 10.037 1.00 0.00 N ATOM 0 H GLN A 29 1.669 4.249 5.605 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.309 4.018 7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.602 4.620 7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.823 5.221 8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.957 2.991 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.499 2.354 7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.116 4.524 10.220 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.519 3.482 10.478 1.00 0.00 H new ATOM 283 N LEU A 30 0.592 7.104 6.808 1.00 0.00 N ATOM 284 CA LEU A 30 0.198 8.494 6.925 1.00 0.00 C ATOM 285 C LEU A 30 -1.320 8.601 6.942 1.00 0.00 C ATOM 286 O LEU A 30 -1.999 7.953 6.148 1.00 0.00 O ATOM 287 CB LEU A 30 0.783 9.287 5.760 1.00 0.00 C ATOM 288 CG LEU A 30 2.307 9.239 5.826 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.889 9.703 4.494 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.797 10.156 6.943 1.00 0.00 C ATOM 0 H LEU A 30 1.402 6.946 6.208 1.00 0.00 H new ATOM 0 HA LEU A 30 0.581 8.907 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.436 8.872 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.439 10.320 5.801 1.00 0.00 H new ATOM 0 HG LEU A 30 2.630 8.218 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.977 9.669 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.539 9.048 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.566 10.724 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.885 10.122 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.474 11.178 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.382 9.824 7.895 1.00 0.00 H new ATOM 302 N PRO A 31 -1.852 9.422 7.849 1.00 0.00 N ATOM 303 CA PRO A 31 -3.272 9.651 8.010 1.00 0.00 C ATOM 304 C PRO A 31 -3.789 10.486 6.848 1.00 0.00 C ATOM 305 O PRO A 31 -4.976 10.801 6.787 1.00 0.00 O ATOM 306 CB PRO A 31 -3.399 10.410 9.329 1.00 0.00 C ATOM 307 CG PRO A 31 -2.082 11.182 9.404 1.00 0.00 C ATOM 308 CD PRO A 31 -1.083 10.199 8.798 1.00 0.00 C ATOM 0 HA PRO A 31 -3.852 8.728 8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.260 11.078 9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.520 9.733 10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.126 12.114 8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.823 11.442 10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.262 10.722 8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.642 9.562 9.564 1.00 0.00 H new ATOM 316 N ASP A 32 -2.895 10.847 5.925 1.00 0.00 N ATOM 317 CA ASP A 32 -3.264 11.645 4.773 1.00 0.00 C ATOM 318 C ASP A 32 -2.711 11.007 3.506 1.00 0.00 C ATOM 319 O ASP A 32 -2.279 11.708 2.595 1.00 0.00 O ATOM 320 CB ASP A 32 -2.727 13.063 4.944 1.00 0.00 C ATOM 321 CG ASP A 32 -3.690 13.915 5.758 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.858 14.021 5.325 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.241 14.444 6.797 1.00 0.00 O ATOM 0 H ASP A 32 -1.908 10.594 5.961 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.350 11.690 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.756 13.031 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.571 13.517 3.966 1.00 0.00 H new ATOM 329 N SER A 33 -2.726 9.673 3.452 1.00 0.00 N ATOM 330 CA SER A 33 -2.227 8.951 2.298 1.00 0.00 C ATOM 331 C SER A 33 -3.393 8.495 1.432 1.00 0.00 C ATOM 332 O SER A 33 -3.424 8.770 0.235 1.00 0.00 O ATOM 333 CB SER A 33 -1.400 7.757 2.766 1.00 0.00 C ATOM 334 OG SER A 33 -2.045 7.137 3.856 1.00 0.00 O ATOM 0 H SER A 33 -3.081 9.077 4.200 1.00 0.00 H new ATOM 0 HA SER A 33 -1.591 9.605 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.276 7.045 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.402 8.084 3.058 1.00 0.00 H new ATOM 0 HG SER A 33 -1.891 7.662 4.669 1.00 0.00 H new ATOM 340 N GLY A 34 -4.353 7.795 2.040 1.00 0.00 N ATOM 341 CA GLY A 34 -5.512 7.307 1.318 1.00 0.00 C ATOM 342 C GLY A 34 -5.940 5.951 1.861 1.00 0.00 C ATOM 343 O GLY A 34 -7.131 5.673 1.975 1.00 0.00 O ATOM 0 H GLY A 34 -4.343 7.557 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.332 8.019 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.279 7.224 0.256 1.00 0.00 H new ATOM 347 N LEU A 35 -4.962 5.106 2.197 1.00 0.00 N ATOM 348 CA LEU A 35 -5.240 3.785 2.725 1.00 0.00 C ATOM 349 C LEU A 35 -5.533 3.877 4.216 1.00 0.00 C ATOM 350 O LEU A 35 -6.562 3.391 4.680 1.00 0.00 O ATOM 351 CB LEU A 35 -4.046 2.872 2.464 1.00 0.00 C ATOM 352 CG LEU A 35 -4.276 1.527 3.147 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.733 1.109 2.971 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.365 0.475 2.519 1.00 0.00 C ATOM 0 H LEU A 35 -3.969 5.323 2.109 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.115 3.367 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.911 2.729 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.133 3.332 2.842 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.050 1.616 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.897 0.148 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.384 1.860 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.960 1.020 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.529 -0.486 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.591 0.386 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.324 0.773 2.645 1.00 0.00 H new ATOM 366 N GLU A 36 -4.624 4.502 4.968 1.00 0.00 N ATOM 367 CA GLU A 36 -4.792 4.654 6.399 1.00 0.00 C ATOM 368 C GLU A 36 -4.757 3.289 7.073 1.00 0.00 C ATOM 369 O GLU A 36 -5.644 2.465 6.860 1.00 0.00 O ATOM 370 CB GLU A 36 -6.114 5.363 6.682 1.00 0.00 C ATOM 371 CG GLU A 36 -5.834 6.761 7.226 1.00 0.00 C ATOM 372 CD GLU A 36 -6.409 7.827 6.305 1.00 0.00 C ATOM 373 OE1 GLU A 36 -6.008 7.830 5.121 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.238 8.619 6.802 1.00 0.00 O ATOM 0 H GLU A 36 -3.764 4.909 4.600 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.977 5.256 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.707 5.428 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.699 4.791 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.267 6.862 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.759 6.906 7.330 1.00 0.00 H new ATOM 382 N ILE A 37 -3.728 3.053 7.890 1.00 0.00 N ATOM 383 CA ILE A 37 -3.581 1.794 8.594 1.00 0.00 C ATOM 384 C ILE A 37 -3.827 2.004 10.081 1.00 0.00 C ATOM 385 O ILE A 37 -2.952 2.491 10.794 1.00 0.00 O ATOM 386 CB ILE A 37 -2.182 1.236 8.349 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.719 1.618 6.946 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.212 -0.285 8.478 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.449 0.758 5.918 1.00 0.00 C ATOM 0 H ILE A 37 -2.985 3.726 8.076 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.313 1.077 8.223 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.492 1.650 9.084 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.918 2.673 6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.642 1.476 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.213 -0.685 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.542 -0.559 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.902 -0.699 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.119 1.030 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.227 -0.294 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.523 0.922 6.003 1.00 0.00 H new ATOM 401 N ARG A 38 -5.021 1.634 10.549 1.00 0.00 N ATOM 402 CA ARG A 38 -5.376 1.784 11.946 1.00 0.00 C ATOM 403 C ARG A 38 -6.802 1.303 12.170 1.00 0.00 C ATOM 404 O ARG A 38 -7.112 0.740 13.218 1.00 0.00 O ATOM 405 CB ARG A 38 -5.229 3.247 12.352 1.00 0.00 C ATOM 406 CG ARG A 38 -3.994 3.409 13.234 1.00 0.00 C ATOM 407 CD ARG A 38 -3.152 4.575 12.722 1.00 0.00 C ATOM 408 NE ARG A 38 -2.182 5.004 13.729 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.193 5.868 13.462 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.063 6.377 12.229 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.333 6.222 14.427 1.00 0.00 N ATOM 0 H ARG A 38 -5.756 1.227 9.971 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.709 1.180 12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.140 3.874 11.465 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.118 3.578 12.889 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.293 3.588 14.267 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.406 2.491 13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.630 4.279 11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.802 5.410 12.459 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.262 4.630 14.675 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.717 6.107 11.494 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.310 7.035 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.431 5.834 15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.420 6.880 14.223 1.00 0.00 H new ATOM 425 N ASP A 39 -7.672 1.525 11.182 1.00 0.00 N ATOM 426 CA ASP A 39 -9.058 1.115 11.278 1.00 0.00 C ATOM 427 C ASP A 39 -9.561 0.677 9.909 1.00 0.00 C ATOM 428 O ASP A 39 -9.370 1.383 8.922 1.00 0.00 O ATOM 429 CB ASP A 39 -9.895 2.271 11.817 1.00 0.00 C ATOM 430 CG ASP A 39 -9.090 3.113 12.797 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.830 2.600 13.906 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.749 4.255 12.418 1.00 0.00 O ATOM 0 H ASP A 39 -7.431 1.989 10.306 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.145 0.272 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.236 2.894 10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.785 1.882 12.311 1.00 0.00 H new ATOM 438 N ARG A 40 -10.205 -0.491 9.853 1.00 0.00 N ATOM 439 CA ARG A 40 -10.730 -1.015 8.608 1.00 0.00 C ATOM 440 C ARG A 40 -11.969 -1.855 8.884 1.00 0.00 C ATOM 441 O ARG A 40 -12.391 -1.984 10.032 1.00 0.00 O ATOM 442 CB ARG A 40 -9.656 -1.849 7.916 1.00 0.00 C ATOM 443 CG ARG A 40 -8.806 -0.947 7.026 1.00 0.00 C ATOM 444 CD ARG A 40 -9.302 -1.041 5.585 1.00 0.00 C ATOM 445 NE ARG A 40 -9.338 0.279 4.955 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.941 0.506 3.780 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.546 -0.499 3.132 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.939 1.737 3.252 1.00 0.00 N ATOM 0 H ARG A 40 -10.372 -1.088 10.663 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.012 -0.191 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.028 -2.341 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.119 -2.635 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.863 0.084 7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.759 -1.245 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.650 -1.702 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.298 -1.483 5.568 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.885 1.060 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.548 -1.437 3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.005 -0.326 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.478 2.502 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.398 1.909 2.358 1.00 0.00 H new ATOM 462 N MET A 41 -12.553 -2.426 7.829 1.00 0.00 N ATOM 463 CA MET A 41 -13.740 -3.247 7.965 1.00 0.00 C ATOM 464 C MET A 41 -13.540 -4.571 7.242 1.00 0.00 C ATOM 465 O MET A 41 -12.917 -4.616 6.183 1.00 0.00 O ATOM 466 CB MET A 41 -14.943 -2.499 7.399 1.00 0.00 C ATOM 467 CG MET A 41 -15.514 -1.571 8.467 1.00 0.00 C ATOM 468 SD MET A 41 -17.322 -1.472 8.464 1.00 0.00 S ATOM 469 CE MET A 41 -17.704 -3.138 9.057 1.00 0.00 C ATOM 0 H MET A 41 -12.216 -2.330 6.871 1.00 0.00 H new ATOM 0 HA MET A 41 -13.921 -3.456 9.019 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.647 -1.923 6.522 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.704 -3.207 7.073 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.180 -1.912 9.447 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.105 -0.571 8.322 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.705 -3.420 8.731 1.00 0.00 H new ATOM 0 HE2 MET A 41 -16.978 -3.844 8.652 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.659 -3.156 10.146 1.00 0.00 H new ATOM 479 N TRP A 42 -14.071 -5.653 7.816 1.00 0.00 N ATOM 480 CA TRP A 42 -13.948 -6.969 7.221 1.00 0.00 C ATOM 481 C TRP A 42 -14.934 -7.927 7.873 1.00 0.00 C ATOM 482 O TRP A 42 -15.120 -7.898 9.088 1.00 0.00 O ATOM 483 CB TRP A 42 -12.516 -7.469 7.386 1.00 0.00 C ATOM 484 CG TRP A 42 -12.251 -8.822 6.807 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.734 -9.872 7.481 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.478 -9.296 5.445 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.626 -10.956 6.636 1.00 0.00 N ATOM 488 CE2 TRP A 42 -12.071 -10.655 5.365 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.986 -8.716 4.268 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -12.163 -11.399 4.185 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -13.082 -9.453 3.079 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.672 -10.791 3.034 1.00 0.00 C ATOM 0 H TRP A 42 -14.590 -5.635 8.694 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.179 -6.913 6.157 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.840 -6.752 6.920 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.274 -7.491 8.449 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.449 -9.864 8.523 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.262 -11.867 6.916 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.308 -7.685 4.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.845 -12.431 4.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.476 -8.984 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.749 -11.351 2.114 1.00 0.00 H new ATOM 503 N LEU A 43 -15.565 -8.779 7.062 1.00 0.00 N ATOM 504 CA LEU A 43 -16.527 -9.741 7.563 1.00 0.00 C ATOM 505 C LEU A 43 -17.766 -9.017 8.070 1.00 0.00 C ATOM 506 O LEU A 43 -18.601 -9.612 8.748 1.00 0.00 O ATOM 507 CB LEU A 43 -15.889 -10.565 8.677 1.00 0.00 C ATOM 508 CG LEU A 43 -15.354 -11.873 8.101 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.828 -11.841 8.097 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.837 -13.041 8.955 1.00 0.00 C ATOM 0 H LEU A 43 -15.421 -8.816 6.053 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.827 -10.412 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.080 -10.002 9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.622 -10.772 9.456 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.717 -11.996 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.446 -12.775 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.483 -11.007 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.464 -11.718 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.455 -13.975 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.475 -12.919 9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.927 -13.064 8.957 1.00 0.00 H new ATOM 522 N LYS A 44 -17.884 -7.729 7.738 1.00 0.00 N ATOM 523 CA LYS A 44 -19.020 -6.934 8.161 1.00 0.00 C ATOM 524 C LYS A 44 -18.790 -6.413 9.573 1.00 0.00 C ATOM 525 O LYS A 44 -19.730 -5.993 10.243 1.00 0.00 O ATOM 526 CB LYS A 44 -20.286 -7.783 8.098 1.00 0.00 C ATOM 527 CG LYS A 44 -20.275 -8.619 6.822 1.00 0.00 C ATOM 528 CD LYS A 44 -21.456 -8.222 5.942 1.00 0.00 C ATOM 529 CE LYS A 44 -21.229 -8.735 4.523 1.00 0.00 C ATOM 530 NZ LYS A 44 -22.488 -9.202 3.923 1.00 0.00 N ATOM 0 H LYS A 44 -17.201 -7.221 7.176 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.138 -6.079 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.344 -8.433 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.168 -7.142 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.340 -8.467 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.332 -9.679 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.380 -8.636 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.569 -7.138 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.802 -7.941 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.505 -9.550 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.306 -9.546 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -22.881 -9.975 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.168 -8.416 3.888 1.00 0.00 H new ATOM 544 N ILE A 45 -17.533 -6.441 10.023 1.00 0.00 N ATOM 545 CA ILE A 45 -17.183 -5.971 11.349 1.00 0.00 C ATOM 546 C ILE A 45 -16.201 -4.813 11.243 1.00 0.00 C ATOM 547 O ILE A 45 -15.806 -4.432 10.143 1.00 0.00 O ATOM 548 CB ILE A 45 -16.581 -7.121 12.152 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.203 -8.439 11.700 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.866 -6.907 13.636 1.00 0.00 C ATOM 551 CD1 ILE A 45 -18.678 -8.466 12.088 1.00 0.00 C ATOM 0 H ILE A 45 -16.743 -6.788 9.479 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.077 -5.616 11.862 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.504 -7.154 11.989 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.098 -8.552 10.621 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.680 -9.277 12.160 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.437 -7.728 14.211 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.422 -5.966 13.960 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.943 -6.875 13.799 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -19.122 -9.408 11.765 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -18.771 -8.373 13.170 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -19.196 -7.637 11.607 1.00 0.00 H new ATOM 563 N THR A 46 -15.807 -4.254 12.389 1.00 0.00 N ATOM 564 CA THR A 46 -14.874 -3.146 12.414 1.00 0.00 C ATOM 565 C THR A 46 -13.675 -3.496 13.283 1.00 0.00 C ATOM 566 O THR A 46 -13.836 -3.961 14.410 1.00 0.00 O ATOM 567 CB THR A 46 -15.579 -1.900 12.943 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.520 -1.454 11.992 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.551 -0.801 13.195 1.00 0.00 C ATOM 0 H THR A 46 -16.125 -4.557 13.309 1.00 0.00 H new ATOM 0 HA THR A 46 -14.517 -2.946 11.404 1.00 0.00 H new ATOM 0 HB THR A 46 -16.089 -2.140 13.876 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.974 -0.655 12.331 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.055 0.089 13.573 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.823 -1.145 13.930 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.040 -0.560 12.263 1.00 0.00 H new ATOM 577 N ILE A 47 -12.469 -3.272 12.756 1.00 0.00 N ATOM 578 CA ILE A 47 -11.249 -3.561 13.482 1.00 0.00 C ATOM 579 C ILE A 47 -10.442 -2.283 13.664 1.00 0.00 C ATOM 580 O ILE A 47 -10.578 -1.345 12.882 1.00 0.00 O ATOM 581 CB ILE A 47 -10.441 -4.609 12.722 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.256 -5.893 12.602 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.146 -4.897 13.475 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.870 -5.978 11.207 1.00 0.00 C ATOM 0 H ILE A 47 -12.320 -2.889 11.823 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.493 -3.956 14.468 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.207 -4.234 11.726 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.619 -6.759 12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.041 -5.910 13.358 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.568 -5.646 12.933 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.563 -3.980 13.560 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.380 -5.271 14.472 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.452 -6.895 11.121 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.520 -5.119 11.043 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.076 -5.981 10.460 1.00 0.00 H new ATOM 596 N ALA A 48 -9.600 -2.249 14.700 1.00 0.00 N ATOM 597 CA ALA A 48 -8.779 -1.088 14.978 1.00 0.00 C ATOM 598 C ALA A 48 -7.356 -1.337 14.499 1.00 0.00 C ATOM 599 O ALA A 48 -6.401 -1.104 15.236 1.00 0.00 O ATOM 600 CB ALA A 48 -8.802 -0.797 16.476 1.00 0.00 C ATOM 0 H ALA A 48 -9.475 -3.019 15.357 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.174 -0.222 14.447 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.185 0.076 16.687 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.826 -0.602 16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.411 -1.657 17.020 1.00 0.00 H new ATOM 606 N ASN A 49 -7.216 -1.811 13.259 1.00 0.00 N ATOM 607 CA ASN A 49 -5.912 -2.087 12.690 1.00 0.00 C ATOM 608 C ASN A 49 -6.022 -3.200 11.657 1.00 0.00 C ATOM 609 O ASN A 49 -5.957 -4.378 12.000 1.00 0.00 O ATOM 610 CB ASN A 49 -4.946 -2.478 13.805 1.00 0.00 C ATOM 611 CG ASN A 49 -5.624 -3.391 14.817 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.454 -4.219 14.449 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.266 -3.239 16.094 1.00 0.00 N ATOM 0 H ASN A 49 -7.998 -2.009 12.635 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.532 -1.195 12.192 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.078 -2.982 13.379 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.581 -1.581 14.306 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.687 -3.825 16.815 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.572 -2.537 16.349 1.00 0.00 H new ATOM 620 N ALA A 50 -6.188 -2.822 10.387 1.00 0.00 N ATOM 621 CA ALA A 50 -6.306 -3.786 9.312 1.00 0.00 C ATOM 622 C ALA A 50 -5.939 -3.130 7.989 1.00 0.00 C ATOM 623 O ALA A 50 -6.003 -1.909 7.860 1.00 0.00 O ATOM 624 CB ALA A 50 -7.732 -4.327 9.270 1.00 0.00 C ATOM 0 H ALA A 50 -6.243 -1.849 10.086 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.621 -4.616 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.822 -5.052 8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.966 -4.810 10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.428 -3.506 9.100 1.00 0.00 H new ATOM 630 N VAL A 51 -5.552 -3.944 7.004 1.00 0.00 N ATOM 631 CA VAL A 51 -5.177 -3.440 5.698 1.00 0.00 C ATOM 632 C VAL A 51 -4.654 -4.581 4.837 1.00 0.00 C ATOM 633 O VAL A 51 -5.157 -4.815 3.740 1.00 0.00 O ATOM 634 CB VAL A 51 -4.117 -2.354 5.858 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.786 -0.983 5.836 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.391 -2.544 7.187 1.00 0.00 C ATOM 0 H VAL A 51 -5.493 -4.958 7.095 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.049 -3.009 5.206 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.401 -2.422 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.029 -0.207 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.305 -0.847 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.502 -0.915 6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.634 -1.769 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.107 -2.476 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.913 -3.523 7.204 1.00 0.00 H new ATOM 646 N ILE A 52 -3.641 -5.293 5.337 1.00 0.00 N ATOM 647 CA ILE A 52 -3.057 -6.406 4.616 1.00 0.00 C ATOM 648 C ILE A 52 -2.568 -5.936 3.253 1.00 0.00 C ATOM 649 O ILE A 52 -2.829 -4.803 2.855 1.00 0.00 O ATOM 650 CB ILE A 52 -4.093 -7.516 4.466 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.416 -8.872 4.636 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.729 -7.435 3.081 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.475 -9.970 4.669 1.00 0.00 C ATOM 0 H ILE A 52 -3.212 -5.110 6.244 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.205 -6.797 5.172 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.864 -7.398 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.720 -9.048 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.833 -8.886 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.469 -8.228 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.214 -6.467 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.958 -7.553 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.991 -10.939 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.153 -9.796 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.038 -9.960 3.736 1.00 0.00 H new ATOM 665 N GLY A 53 -1.856 -6.809 2.536 1.00 0.00 N ATOM 666 CA GLY A 53 -1.338 -6.475 1.225 1.00 0.00 C ATOM 667 C GLY A 53 -2.476 -6.084 0.292 1.00 0.00 C ATOM 668 O GLY A 53 -2.298 -5.250 -0.593 1.00 0.00 O ATOM 0 H GLY A 53 -1.629 -7.753 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.626 -5.653 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.796 -7.326 0.813 1.00 0.00 H new ATOM 672 N ALA A 54 -3.649 -6.690 0.493 1.00 0.00 N ATOM 673 CA ALA A 54 -4.807 -6.406 -0.329 1.00 0.00 C ATOM 674 C ALA A 54 -5.050 -4.904 -0.375 1.00 0.00 C ATOM 675 O ALA A 54 -5.028 -4.303 -1.447 1.00 0.00 O ATOM 676 CB ALA A 54 -6.023 -7.133 0.238 1.00 0.00 C ATOM 0 H ALA A 54 -3.813 -7.382 1.224 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.632 -6.757 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.895 -6.920 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.835 -8.207 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.208 -6.792 1.257 1.00 0.00 H new ATOM 682 N ASP A 55 -5.282 -4.298 0.791 1.00 0.00 N ATOM 683 CA ASP A 55 -5.528 -2.873 0.877 1.00 0.00 C ATOM 684 C ASP A 55 -4.281 -2.109 0.457 1.00 0.00 C ATOM 685 O ASP A 55 -4.360 -1.182 -0.346 1.00 0.00 O ATOM 686 CB ASP A 55 -5.929 -2.512 2.304 1.00 0.00 C ATOM 687 CG ASP A 55 -6.863 -1.310 2.319 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.595 -1.172 3.323 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.827 -0.551 1.327 1.00 0.00 O ATOM 0 H ASP A 55 -5.303 -4.782 1.688 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.341 -2.599 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.419 -3.364 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.038 -2.292 2.892 1.00 0.00 H new ATOM 695 N VAL A 56 -3.127 -2.500 1.003 1.00 0.00 N ATOM 696 CA VAL A 56 -1.871 -1.852 0.683 1.00 0.00 C ATOM 697 C VAL A 56 -1.740 -1.699 -0.825 1.00 0.00 C ATOM 698 O VAL A 56 -1.220 -0.695 -1.306 1.00 0.00 O ATOM 699 CB VAL A 56 -0.716 -2.675 1.247 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.601 -1.955 0.977 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.903 -2.849 2.751 1.00 0.00 C ATOM 0 H VAL A 56 -3.046 -3.267 1.671 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.844 -0.859 1.132 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.699 -3.654 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.426 -2.543 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.734 -1.831 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.585 -0.976 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.078 -3.437 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.920 -1.871 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.844 -3.364 2.943 1.00 0.00 H new ATOM 711 N VAL A 57 -2.213 -2.700 -1.571 1.00 0.00 N ATOM 712 CA VAL A 57 -2.147 -2.673 -3.019 1.00 0.00 C ATOM 713 C VAL A 57 -3.144 -1.658 -3.560 1.00 0.00 C ATOM 714 O VAL A 57 -2.752 -0.658 -4.157 1.00 0.00 O ATOM 715 CB VAL A 57 -2.440 -4.066 -3.567 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.503 -4.011 -5.091 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.333 -5.025 -3.138 1.00 0.00 C ATOM 0 H VAL A 57 -2.646 -3.539 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.148 -2.376 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.396 -4.416 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.712 -5.006 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.294 -3.327 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.548 -3.661 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.542 -6.021 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.377 -4.675 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.288 -5.065 -2.050 1.00 0.00 H new ATOM 727 N ASP A 58 -4.436 -1.918 -3.350 1.00 0.00 N ATOM 728 CA ASP A 58 -5.481 -1.029 -3.818 1.00 0.00 C ATOM 729 C ASP A 58 -5.033 0.417 -3.664 1.00 0.00 C ATOM 730 O ASP A 58 -5.414 1.275 -4.458 1.00 0.00 O ATOM 731 CB ASP A 58 -6.759 -1.287 -3.026 1.00 0.00 C ATOM 732 CG ASP A 58 -7.280 -2.694 -3.277 1.00 0.00 C ATOM 733 OD1 ASP A 58 -6.556 -3.455 -3.954 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.394 -2.983 -2.787 1.00 0.00 O ATOM 0 H ASP A 58 -4.776 -2.743 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.680 -1.217 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.566 -1.151 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.519 -0.558 -3.307 1.00 0.00 H new ATOM 740 N TRP A 59 -4.221 0.688 -2.640 1.00 0.00 N ATOM 741 CA TRP A 59 -3.728 2.028 -2.393 1.00 0.00 C ATOM 742 C TRP A 59 -2.657 2.383 -3.415 1.00 0.00 C ATOM 743 O TRP A 59 -2.862 3.256 -4.255 1.00 0.00 O ATOM 744 CB TRP A 59 -3.170 2.111 -0.975 1.00 0.00 C ATOM 745 CG TRP A 59 -2.855 3.494 -0.502 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.762 4.398 -0.072 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.556 4.154 -0.402 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.118 5.564 0.285 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.754 5.468 0.100 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.231 3.777 -0.685 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.698 6.360 0.311 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.836 4.663 -0.478 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.607 5.952 0.019 1.00 0.00 C ATOM 0 H TRP A 59 -3.895 -0.010 -1.972 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.545 2.742 -2.491 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.890 1.664 -0.290 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.263 1.509 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.828 4.233 -0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.591 6.394 0.642 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.032 2.787 -1.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.888 7.352 0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.844 4.348 -0.704 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.435 6.628 0.176 1.00 0.00 H new ATOM 764 N LEU A 60 -1.511 1.701 -3.342 1.00 0.00 N ATOM 765 CA LEU A 60 -0.415 1.946 -4.258 1.00 0.00 C ATOM 766 C LEU A 60 -0.961 2.249 -5.646 1.00 0.00 C ATOM 767 O LEU A 60 -0.640 3.282 -6.230 1.00 0.00 O ATOM 768 CB LEU A 60 0.501 0.726 -4.292 1.00 0.00 C ATOM 769 CG LEU A 60 1.124 0.520 -2.914 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.649 -0.908 -2.801 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.277 1.502 -2.725 1.00 0.00 C ATOM 0 H LEU A 60 -1.326 0.973 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 60 0.161 2.807 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.065 -0.159 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.282 0.865 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 60 0.370 0.692 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.094 -1.055 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.826 -1.610 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.403 -1.080 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.722 1.355 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.031 1.331 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.903 2.523 -2.805 1.00 0.00 H new ATOM 783 N TYR A 61 -1.788 1.344 -6.175 1.00 0.00 N ATOM 784 CA TYR A 61 -2.370 1.519 -7.490 1.00 0.00 C ATOM 785 C TYR A 61 -3.230 2.775 -7.511 1.00 0.00 C ATOM 786 O TYR A 61 -3.222 3.519 -8.489 1.00 0.00 O ATOM 787 CB TYR A 61 -3.200 0.290 -7.845 1.00 0.00 C ATOM 788 CG TYR A 61 -3.934 0.416 -9.159 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.214 0.537 -10.354 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.334 0.413 -9.183 1.00 0.00 C ATOM 791 CE1 TYR A 61 -3.893 0.653 -11.572 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.013 0.529 -10.401 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.293 0.650 -11.596 1.00 0.00 C ATOM 794 OH TYR A 61 -5.955 0.763 -12.783 1.00 0.00 O ATOM 0 H TYR A 61 -2.065 0.483 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.578 1.633 -8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.546 -0.581 -7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.923 0.108 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.134 0.541 -10.336 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.890 0.321 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.337 0.745 -12.493 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.093 0.525 -10.419 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.921 0.742 -12.622 1.00 0.00 H new ATOM 804 N THR A 62 -3.973 3.011 -6.427 1.00 0.00 N ATOM 805 CA THR A 62 -4.831 4.174 -6.330 1.00 0.00 C ATOM 806 C THR A 62 -3.986 5.427 -6.144 1.00 0.00 C ATOM 807 O THR A 62 -3.854 6.232 -7.063 1.00 0.00 O ATOM 808 CB THR A 62 -5.798 3.996 -5.164 1.00 0.00 C ATOM 809 OG1 THR A 62 -6.822 3.101 -5.535 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.410 5.346 -4.800 1.00 0.00 C ATOM 0 H THR A 62 -3.991 2.405 -5.607 1.00 0.00 H new ATOM 0 HA THR A 62 -5.407 4.282 -7.249 1.00 0.00 H new ATOM 0 HB THR A 62 -5.260 3.597 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.632 2.215 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.101 5.219 -3.967 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.619 6.039 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.948 5.745 -5.660 1.00 0.00 H new ATOM 818 N HIS A 63 -3.414 5.591 -4.949 1.00 0.00 N ATOM 819 CA HIS A 63 -2.589 6.745 -4.652 1.00 0.00 C ATOM 820 C HIS A 63 -1.674 7.048 -5.830 1.00 0.00 C ATOM 821 O HIS A 63 -1.776 8.110 -6.441 1.00 0.00 O ATOM 822 CB HIS A 63 -1.773 6.473 -3.391 1.00 0.00 C ATOM 823 CG HIS A 63 -1.781 7.633 -2.433 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.680 8.337 -2.002 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.885 8.177 -1.835 1.00 0.00 C ATOM 826 CE1 HIS A 63 -1.119 9.288 -1.158 1.00 0.00 C ATOM 827 NE2 HIS A 63 -2.455 9.232 -1.024 1.00 0.00 N ATOM 0 H HIS A 63 -3.512 4.933 -4.176 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.224 7.614 -4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.170 5.590 -2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.744 6.245 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.906 7.850 -1.966 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.483 10.001 -0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.038 9.838 -0.447 1.00 0.00 H new ATOM 835 N VAL A 64 -0.779 6.110 -6.150 1.00 0.00 N ATOM 836 CA VAL A 64 0.147 6.280 -7.251 1.00 0.00 C ATOM 837 C VAL A 64 0.012 5.115 -8.221 1.00 0.00 C ATOM 838 O VAL A 64 -1.023 4.453 -8.260 1.00 0.00 O ATOM 839 CB VAL A 64 1.570 6.370 -6.708 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.644 7.470 -5.653 1.00 0.00 C ATOM 841 CG2 VAL A 64 1.960 5.035 -6.080 1.00 0.00 C ATOM 0 H VAL A 64 -0.683 5.224 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.082 7.201 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 64 2.256 6.602 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.661 7.534 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.366 8.424 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.958 7.239 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.977 5.099 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.274 4.802 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.908 4.249 -6.834 1.00 0.00 H new ATOM 851 N GLU A 65 1.063 4.864 -9.006 1.00 0.00 N ATOM 852 CA GLU A 65 1.053 3.780 -9.968 1.00 0.00 C ATOM 853 C GLU A 65 2.441 3.608 -10.570 1.00 0.00 C ATOM 854 O GLU A 65 3.350 4.381 -10.273 1.00 0.00 O ATOM 855 CB GLU A 65 0.025 4.077 -11.056 1.00 0.00 C ATOM 856 CG GLU A 65 0.291 5.460 -11.644 1.00 0.00 C ATOM 857 CD GLU A 65 -0.329 5.590 -13.028 1.00 0.00 C ATOM 858 OE1 GLU A 65 0.454 5.611 -14.002 1.00 0.00 O ATOM 859 OE2 GLU A 65 -1.576 5.666 -13.086 1.00 0.00 O ATOM 0 H GLU A 65 1.929 5.403 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 65 0.779 2.850 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.080 3.321 -11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.982 4.034 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.119 6.225 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.365 5.633 -11.705 1.00 0.00 H new ATOM 867 N GLY A 66 2.603 2.591 -11.419 1.00 0.00 N ATOM 868 CA GLY A 66 3.878 2.327 -12.056 1.00 0.00 C ATOM 869 C GLY A 66 3.994 0.852 -12.413 1.00 0.00 C ATOM 870 O GLY A 66 4.792 0.479 -13.271 1.00 0.00 O ATOM 0 H GLY A 66 1.861 1.940 -11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.976 2.935 -12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.692 2.612 -11.389 1.00 0.00 H new ATOM 874 N PHE A 67 3.195 0.011 -11.753 1.00 0.00 N ATOM 875 CA PHE A 67 3.213 -1.415 -12.005 1.00 0.00 C ATOM 876 C PHE A 67 2.479 -1.720 -13.303 1.00 0.00 C ATOM 877 O PHE A 67 1.542 -1.014 -13.669 1.00 0.00 O ATOM 878 CB PHE A 67 2.564 -2.146 -10.833 1.00 0.00 C ATOM 879 CG PHE A 67 2.866 -1.522 -9.491 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.194 -1.374 -9.072 1.00 0.00 C ATOM 881 CD2 PHE A 67 1.820 -1.089 -8.668 1.00 0.00 C ATOM 882 CE1 PHE A 67 4.474 -0.793 -7.829 1.00 0.00 C ATOM 883 CE2 PHE A 67 2.100 -0.509 -7.426 1.00 0.00 C ATOM 884 CZ PHE A 67 3.427 -0.361 -7.006 1.00 0.00 C ATOM 0 H PHE A 67 2.528 0.303 -11.039 1.00 0.00 H new ATOM 0 HA PHE A 67 4.243 -1.757 -12.105 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.484 -2.166 -10.981 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.904 -3.182 -10.828 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.001 -1.708 -9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.796 -1.203 -8.992 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.498 -0.678 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.292 -0.175 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.643 0.086 -6.047 1.00 0.00 H new ATOM 894 N LYS A 68 2.909 -2.774 -14.001 1.00 0.00 N ATOM 895 CA LYS A 68 2.291 -3.164 -15.252 1.00 0.00 C ATOM 896 C LYS A 68 0.799 -3.384 -15.047 1.00 0.00 C ATOM 897 O LYS A 68 -0.021 -2.688 -15.641 1.00 0.00 O ATOM 898 CB LYS A 68 2.958 -4.434 -15.773 1.00 0.00 C ATOM 899 CG LYS A 68 4.157 -4.060 -16.640 1.00 0.00 C ATOM 900 CD LYS A 68 5.430 -4.121 -15.802 1.00 0.00 C ATOM 901 CE LYS A 68 6.630 -3.760 -16.672 1.00 0.00 C ATOM 902 NZ LYS A 68 7.076 -4.917 -17.463 1.00 0.00 N ATOM 0 H LYS A 68 3.686 -3.369 -13.712 1.00 0.00 H new ATOM 0 HA LYS A 68 2.422 -2.371 -15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.279 -5.057 -14.939 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.245 -5.020 -16.353 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.234 -4.742 -17.487 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.025 -3.058 -17.048 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.357 -3.432 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.557 -5.120 -15.386 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.366 -2.939 -17.339 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.447 -3.409 -16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.893 -4.645 -18.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.349 -5.690 -16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.301 -5.235 -18.080 1.00 0.00 H new ATOM 916 N GLU A 69 0.448 -4.357 -14.202 1.00 0.00 N ATOM 917 CA GLU A 69 -0.942 -4.660 -13.925 1.00 0.00 C ATOM 918 C GLU A 69 -1.079 -5.229 -12.519 1.00 0.00 C ATOM 919 O GLU A 69 -0.184 -5.069 -11.692 1.00 0.00 O ATOM 920 CB GLU A 69 -1.462 -5.651 -14.962 1.00 0.00 C ATOM 921 CG GLU A 69 -2.844 -5.213 -15.437 1.00 0.00 C ATOM 922 CD GLU A 69 -3.144 -5.768 -16.822 1.00 0.00 C ATOM 923 OE1 GLU A 69 -2.912 -5.020 -17.796 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.601 -6.930 -16.880 1.00 0.00 O ATOM 0 H GLU A 69 1.115 -4.944 -13.701 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.534 -3.747 -13.984 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.775 -5.703 -15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.514 -6.651 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.601 -5.556 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.898 -4.125 -15.458 1.00 0.00 H new ATOM 932 N ARG A 70 -2.205 -5.895 -12.251 1.00 0.00 N ATOM 933 CA ARG A 70 -2.454 -6.483 -10.951 1.00 0.00 C ATOM 934 C ARG A 70 -1.285 -7.373 -10.555 1.00 0.00 C ATOM 935 O ARG A 70 -1.074 -7.634 -9.372 1.00 0.00 O ATOM 936 CB ARG A 70 -3.752 -7.284 -10.997 1.00 0.00 C ATOM 937 CG ARG A 70 -4.280 -7.478 -9.578 1.00 0.00 C ATOM 938 CD ARG A 70 -3.991 -8.904 -9.118 1.00 0.00 C ATOM 939 NE ARG A 70 -3.750 -8.952 -7.676 1.00 0.00 N ATOM 940 CZ ARG A 70 -4.741 -8.987 -6.775 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.017 -8.979 -7.183 1.00 0.00 N ATOM 942 NH2 ARG A 70 -4.456 -9.028 -5.466 1.00 0.00 N ATOM 0 H ARG A 70 -2.956 -6.036 -12.926 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.554 -5.695 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.492 -6.763 -11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.578 -8.252 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.809 -6.764 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.352 -7.285 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.832 -9.549 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.121 -9.292 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.786 -8.959 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.234 -8.946 -8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.772 -9.006 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.484 -9.033 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.211 -9.055 -4.780 1.00 0.00 H new ATOM 956 N ARG A 71 -0.524 -7.839 -11.548 1.00 0.00 N ATOM 957 CA ARG A 71 0.617 -8.696 -11.299 1.00 0.00 C ATOM 958 C ARG A 71 1.738 -7.890 -10.659 1.00 0.00 C ATOM 959 O ARG A 71 2.030 -8.058 -9.477 1.00 0.00 O ATOM 960 CB ARG A 71 1.081 -9.318 -12.613 1.00 0.00 C ATOM 961 CG ARG A 71 -0.122 -9.892 -13.357 1.00 0.00 C ATOM 962 CD ARG A 71 -0.215 -11.392 -13.093 1.00 0.00 C ATOM 963 NE ARG A 71 -1.431 -11.954 -13.681 1.00 0.00 N ATOM 964 CZ ARG A 71 -1.523 -12.293 -14.974 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.472 -12.123 -15.787 1.00 0.00 N ATOM 966 NH2 ARG A 71 -2.666 -12.802 -15.454 1.00 0.00 N ATOM 0 H ARG A 71 -0.686 -7.631 -12.533 1.00 0.00 H new ATOM 0 HA ARG A 71 0.334 -9.495 -10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.578 -8.567 -13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.810 -10.104 -12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.036 -9.397 -13.029 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.025 -9.705 -14.426 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.659 -11.893 -13.509 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.207 -11.577 -12.019 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.244 -12.094 -13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.398 -11.736 -15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.542 -12.381 -16.771 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.466 -12.931 -14.835 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.736 -13.060 -16.438 1.00 0.00 H new ATOM 980 N GLU A 72 2.367 -7.011 -11.443 1.00 0.00 N ATOM 981 CA GLU A 72 3.450 -6.185 -10.946 1.00 0.00 C ATOM 982 C GLU A 72 3.038 -5.520 -9.640 1.00 0.00 C ATOM 983 O GLU A 72 3.850 -5.385 -8.727 1.00 0.00 O ATOM 984 CB GLU A 72 3.811 -5.138 -11.996 1.00 0.00 C ATOM 985 CG GLU A 72 4.893 -5.694 -12.917 1.00 0.00 C ATOM 986 CD GLU A 72 5.936 -4.632 -13.233 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.664 -3.456 -12.908 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.985 -5.016 -13.794 1.00 0.00 O ATOM 0 H GLU A 72 2.138 -6.859 -12.425 1.00 0.00 H new ATOM 0 HA GLU A 72 4.325 -6.805 -10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.928 -4.869 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.164 -4.228 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.373 -6.551 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.440 -6.051 -13.842 1.00 0.00 H new ATOM 996 N ALA A 73 1.772 -5.106 -9.553 1.00 0.00 N ATOM 997 CA ALA A 73 1.260 -4.458 -8.363 1.00 0.00 C ATOM 998 C ALA A 73 1.399 -5.391 -7.168 1.00 0.00 C ATOM 999 O ALA A 73 2.008 -5.029 -6.164 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.201 -4.074 -8.582 1.00 0.00 C ATOM 0 H ALA A 73 1.087 -5.213 -10.301 1.00 0.00 H new ATOM 0 HA ALA A 73 1.833 -3.553 -8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.587 -3.586 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.275 -3.391 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.786 -4.970 -8.788 1.00 0.00 H new ATOM 1006 N ARG A 74 0.832 -6.594 -7.279 1.00 0.00 N ATOM 1007 CA ARG A 74 0.894 -7.570 -6.210 1.00 0.00 C ATOM 1008 C ARG A 74 2.344 -7.950 -5.942 1.00 0.00 C ATOM 1009 O ARG A 74 2.682 -8.379 -4.841 1.00 0.00 O ATOM 1010 CB ARG A 74 0.077 -8.799 -6.597 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.059 -9.721 -5.388 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.317 -10.572 -5.535 1.00 0.00 C ATOM 1013 NE ARG A 74 -1.069 -11.952 -5.120 1.00 0.00 N ATOM 1014 CZ ARG A 74 -0.315 -12.800 -5.834 1.00 0.00 C ATOM 1015 NH1 ARG A 74 0.250 -12.393 -6.979 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.125 -14.054 -5.402 1.00 0.00 N ATOM 0 H ARG A 74 0.324 -6.909 -8.106 1.00 0.00 H new ATOM 0 HA ARG A 74 0.476 -7.143 -5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.909 -8.497 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.562 -9.327 -7.418 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.819 -10.362 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.111 -9.132 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.120 -10.147 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.652 -10.555 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.487 -12.283 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.106 -11.438 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.824 -13.038 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.554 -14.363 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.449 -14.699 -5.945 1.00 0.00 H new ATOM 1030 N LYS A 75 3.202 -7.790 -6.952 1.00 0.00 N ATOM 1031 CA LYS A 75 4.607 -8.117 -6.819 1.00 0.00 C ATOM 1032 C LYS A 75 5.282 -7.126 -5.880 1.00 0.00 C ATOM 1033 O LYS A 75 6.104 -7.513 -5.053 1.00 0.00 O ATOM 1034 CB LYS A 75 5.267 -8.092 -8.195 1.00 0.00 C ATOM 1035 CG LYS A 75 4.987 -9.408 -8.916 1.00 0.00 C ATOM 1036 CD LYS A 75 5.870 -9.507 -10.156 1.00 0.00 C ATOM 1037 CE LYS A 75 5.099 -10.199 -11.276 1.00 0.00 C ATOM 1038 NZ LYS A 75 5.804 -11.406 -11.735 1.00 0.00 N ATOM 0 H LYS A 75 2.938 -7.434 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 75 4.712 -9.117 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.883 -7.256 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.342 -7.942 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.182 -10.248 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.936 -9.463 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.180 -8.512 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.777 -10.065 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.103 -10.467 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.968 -9.511 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.259 -11.858 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.745 -11.144 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.907 -12.071 -10.942 1.00 0.00 H new ATOM 1052 N TYR A 76 4.932 -5.845 -6.010 1.00 0.00 N ATOM 1053 CA TYR A 76 5.506 -4.809 -5.176 1.00 0.00 C ATOM 1054 C TYR A 76 5.026 -4.976 -3.741 1.00 0.00 C ATOM 1055 O TYR A 76 5.828 -4.964 -2.810 1.00 0.00 O ATOM 1056 CB TYR A 76 5.111 -3.440 -5.723 1.00 0.00 C ATOM 1057 CG TYR A 76 5.744 -2.288 -4.979 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.134 -2.237 -4.819 1.00 0.00 C ATOM 1059 CD2 TYR A 76 4.940 -1.271 -4.450 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.720 -1.169 -4.129 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.527 -0.203 -3.760 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.917 -0.152 -3.600 1.00 0.00 C ATOM 1063 OH TYR A 76 7.488 0.889 -2.929 1.00 0.00 O ATOM 0 H TYR A 76 4.251 -5.508 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 76 6.593 -4.890 -5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.394 -3.382 -6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.027 -3.339 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.754 -3.021 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.868 -1.310 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.792 -1.130 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.907 0.581 -3.351 1.00 0.00 H new ATOM 0 HH TYR A 76 7.772 1.574 -3.569 1.00 0.00 H new ATOM 1073 N ALA A 77 3.711 -5.131 -3.565 1.00 0.00 N ATOM 1074 CA ALA A 77 3.131 -5.298 -2.248 1.00 0.00 C ATOM 1075 C ALA A 77 3.814 -6.452 -1.527 1.00 0.00 C ATOM 1076 O ALA A 77 4.229 -6.311 -0.379 1.00 0.00 O ATOM 1077 CB ALA A 77 1.633 -5.554 -2.381 1.00 0.00 C ATOM 0 H ALA A 77 3.033 -5.143 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 77 3.280 -4.391 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.196 -5.680 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.162 -4.707 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.469 -6.458 -2.967 1.00 0.00 H new ATOM 1083 N SER A 78 3.929 -7.597 -2.204 1.00 0.00 N ATOM 1084 CA SER A 78 4.559 -8.766 -1.625 1.00 0.00 C ATOM 1085 C SER A 78 5.988 -8.435 -1.219 1.00 0.00 C ATOM 1086 O SER A 78 6.412 -8.757 -0.111 1.00 0.00 O ATOM 1087 CB SER A 78 4.536 -9.909 -2.637 1.00 0.00 C ATOM 1088 OG SER A 78 3.249 -10.007 -3.205 1.00 0.00 O ATOM 0 H SER A 78 3.590 -7.731 -3.157 1.00 0.00 H new ATOM 0 HA SER A 78 4.012 -9.075 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.277 -9.734 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.802 -10.847 -2.149 1.00 0.00 H new ATOM 0 HG SER A 78 3.250 -9.590 -4.092 1.00 0.00 H new ATOM 1094 N SER A 79 6.731 -7.787 -2.119 1.00 0.00 N ATOM 1095 CA SER A 79 8.105 -7.414 -1.848 1.00 0.00 C ATOM 1096 C SER A 79 8.157 -6.451 -0.670 1.00 0.00 C ATOM 1097 O SER A 79 9.138 -6.424 0.070 1.00 0.00 O ATOM 1098 CB SER A 79 8.713 -6.776 -3.094 1.00 0.00 C ATOM 1099 OG SER A 79 9.744 -7.601 -3.589 1.00 0.00 O ATOM 0 H SER A 79 6.395 -7.513 -3.042 1.00 0.00 H new ATOM 0 HA SER A 79 8.682 -8.302 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.946 -6.638 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.106 -5.788 -2.855 1.00 0.00 H new ATOM 0 HG SER A 79 10.134 -7.193 -4.390 1.00 0.00 H new ATOM 1105 N MET A 80 7.095 -5.661 -0.495 1.00 0.00 N ATOM 1106 CA MET A 80 7.028 -4.703 0.590 1.00 0.00 C ATOM 1107 C MET A 80 6.890 -5.434 1.918 1.00 0.00 C ATOM 1108 O MET A 80 7.512 -5.054 2.907 1.00 0.00 O ATOM 1109 CB MET A 80 5.847 -3.764 0.366 1.00 0.00 C ATOM 1110 CG MET A 80 6.299 -2.320 0.568 1.00 0.00 C ATOM 1111 SD MET A 80 6.020 -1.690 2.242 1.00 0.00 S ATOM 1112 CE MET A 80 4.235 -1.965 2.361 1.00 0.00 C ATOM 0 H MET A 80 6.272 -5.673 -1.097 1.00 0.00 H new ATOM 0 HA MET A 80 7.945 -4.114 0.616 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.451 -3.895 -0.641 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.041 -4.004 1.059 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.361 -2.246 0.335 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.772 -1.682 -0.142 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.731 -1.014 2.530 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.872 -2.408 1.433 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.025 -2.639 3.191 1.00 0.00 H new ATOM 1122 N LEU A 81 6.071 -6.489 1.938 1.00 0.00 N ATOM 1123 CA LEU A 81 5.855 -7.268 3.140 1.00 0.00 C ATOM 1124 C LEU A 81 7.128 -8.019 3.504 1.00 0.00 C ATOM 1125 O LEU A 81 7.631 -7.889 4.618 1.00 0.00 O ATOM 1126 CB LEU A 81 4.699 -8.239 2.916 1.00 0.00 C ATOM 1127 CG LEU A 81 4.664 -9.258 4.052 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.405 -10.522 3.625 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.337 -8.666 5.287 1.00 0.00 C ATOM 0 H LEU A 81 5.548 -6.817 1.126 1.00 0.00 H new ATOM 0 HA LEU A 81 5.599 -6.605 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.756 -7.694 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.818 -8.748 1.960 1.00 0.00 H new ATOM 0 HG LEU A 81 3.629 -9.506 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.380 -11.250 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.924 -10.945 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.440 -10.275 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.312 -9.393 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.372 -8.418 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.808 -7.763 5.592 1.00 0.00 H new ATOM 1141 N LYS A 82 7.648 -8.808 2.561 1.00 0.00 N ATOM 1142 CA LYS A 82 8.857 -9.574 2.788 1.00 0.00 C ATOM 1143 C LYS A 82 9.913 -8.693 3.440 1.00 0.00 C ATOM 1144 O LYS A 82 10.506 -9.072 4.448 1.00 0.00 O ATOM 1145 CB LYS A 82 9.362 -10.131 1.460 1.00 0.00 C ATOM 1146 CG LYS A 82 8.932 -11.589 1.324 1.00 0.00 C ATOM 1147 CD LYS A 82 7.452 -11.719 1.675 1.00 0.00 C ATOM 1148 CE LYS A 82 7.302 -12.539 2.952 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.096 -13.775 2.883 1.00 0.00 N ATOM 0 H LYS A 82 7.243 -8.928 1.633 1.00 0.00 H new ATOM 0 HA LYS A 82 8.644 -10.406 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.964 -9.544 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.448 -10.055 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.107 -11.937 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.530 -12.218 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.011 -10.731 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.914 -12.198 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.621 -11.945 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.252 -12.786 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.609 -14.530 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.210 -14.060 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.032 -13.610 3.305 1.00 0.00 H new ATOM 1163 N HIS A 83 10.149 -7.513 2.862 1.00 0.00 N ATOM 1164 CA HIS A 83 11.134 -6.590 3.390 1.00 0.00 C ATOM 1165 C HIS A 83 11.000 -6.496 4.903 1.00 0.00 C ATOM 1166 O HIS A 83 11.972 -6.211 5.598 1.00 0.00 O ATOM 1167 CB HIS A 83 10.942 -5.220 2.745 1.00 0.00 C ATOM 1168 CG HIS A 83 12.241 -4.593 2.317 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.528 -4.096 1.066 1.00 0.00 N ATOM 1170 CD2 HIS A 83 13.348 -4.416 3.101 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.789 -3.628 1.102 1.00 0.00 C ATOM 1172 NE2 HIS A 83 14.330 -3.800 2.320 1.00 0.00 N ATOM 0 H HIS A 83 9.666 -7.181 2.027 1.00 0.00 H new ATOM 0 HA HIS A 83 12.136 -6.952 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.288 -5.319 1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.439 -4.558 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.446 -4.701 4.138 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.298 -3.175 0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.269 -3.534 2.615 1.00 0.00 H new ATOM 1180 N GLY A 84 9.790 -6.737 5.414 1.00 0.00 N ATOM 1181 CA GLY A 84 9.540 -6.678 6.840 1.00 0.00 C ATOM 1182 C GLY A 84 8.814 -5.388 7.195 1.00 0.00 C ATOM 1183 O GLY A 84 8.854 -4.945 8.341 1.00 0.00 O ATOM 0 H GLY A 84 8.972 -6.975 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.942 -7.536 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.483 -6.735 7.384 1.00 0.00 H new ATOM 1187 N PHE A 85 8.148 -4.784 6.207 1.00 0.00 N ATOM 1188 CA PHE A 85 7.418 -3.551 6.421 1.00 0.00 C ATOM 1189 C PHE A 85 5.971 -3.862 6.773 1.00 0.00 C ATOM 1190 O PHE A 85 5.168 -2.952 6.969 1.00 0.00 O ATOM 1191 CB PHE A 85 7.497 -2.690 5.164 1.00 0.00 C ATOM 1192 CG PHE A 85 8.907 -2.308 4.782 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.809 -1.886 5.765 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.313 -2.380 3.444 1.00 0.00 C ATOM 1195 CE1 PHE A 85 11.117 -1.534 5.411 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.621 -2.028 3.089 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.523 -1.605 4.073 1.00 0.00 C ATOM 0 H PHE A 85 8.105 -5.138 5.251 1.00 0.00 H new ATOM 0 HA PHE A 85 7.861 -3.000 7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.038 -3.229 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.912 -1.783 5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.496 -1.832 6.797 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.617 -2.707 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.813 -1.208 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.934 -2.083 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.532 -1.333 3.800 1.00 0.00 H new ATOM 1207 N LEU A 86 5.638 -5.152 6.853 1.00 0.00 N ATOM 1208 CA LEU A 86 4.291 -5.576 7.181 1.00 0.00 C ATOM 1209 C LEU A 86 4.340 -6.767 8.128 1.00 0.00 C ATOM 1210 O LEU A 86 5.293 -7.543 8.104 1.00 0.00 O ATOM 1211 CB LEU A 86 3.546 -5.936 5.899 1.00 0.00 C ATOM 1212 CG LEU A 86 2.415 -4.936 5.671 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.056 -4.904 4.188 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.193 -5.357 6.482 1.00 0.00 C ATOM 0 H LEU A 86 6.292 -5.918 6.693 1.00 0.00 H new ATOM 0 HA LEU A 86 3.761 -4.763 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.232 -5.925 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.144 -6.946 5.971 1.00 0.00 H new ATOM 0 HG LEU A 86 2.737 -3.944 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.249 -4.190 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.929 -4.603 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.734 -5.896 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.385 -4.643 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.870 -6.349 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.449 -5.380 7.541 1.00 0.00 H new ATOM 1226 N ARG A 87 3.309 -6.909 8.964 1.00 0.00 N ATOM 1227 CA ARG A 87 3.239 -8.001 9.914 1.00 0.00 C ATOM 1228 C ARG A 87 2.005 -8.848 9.636 1.00 0.00 C ATOM 1229 O ARG A 87 0.913 -8.315 9.453 1.00 0.00 O ATOM 1230 CB ARG A 87 3.201 -7.439 11.332 1.00 0.00 C ATOM 1231 CG ARG A 87 4.268 -8.126 12.180 1.00 0.00 C ATOM 1232 CD ARG A 87 5.600 -7.402 12.006 1.00 0.00 C ATOM 1233 NE ARG A 87 6.660 -8.064 12.767 1.00 0.00 N ATOM 1234 CZ ARG A 87 7.961 -7.802 12.579 1.00 0.00 C ATOM 1235 NH1 ARG A 87 8.337 -6.900 11.662 1.00 0.00 N ATOM 1236 NH2 ARG A 87 8.886 -8.442 13.307 1.00 0.00 N ATOM 0 H ARG A 87 2.512 -6.274 8.995 1.00 0.00 H new ATOM 0 HA ARG A 87 4.120 -8.634 9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.374 -6.363 11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.216 -7.596 11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.973 -8.120 13.229 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.368 -9.170 11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.868 -7.375 10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.502 -6.368 12.336 1.00 0.00 H new ATOM 0 HE ARG A 87 6.398 -8.754 13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.633 -6.413 11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.327 -6.701 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.600 -9.129 14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.876 -8.242 13.163 1.00 0.00 H new ATOM 1250 N HIS A 88 2.180 -10.171 9.607 1.00 0.00 N ATOM 1251 CA HIS A 88 1.079 -11.079 9.351 1.00 0.00 C ATOM 1252 C HIS A 88 0.817 -11.938 10.580 1.00 0.00 C ATOM 1253 O HIS A 88 1.380 -11.691 11.644 1.00 0.00 O ATOM 1254 CB HIS A 88 1.412 -11.951 8.143 1.00 0.00 C ATOM 1255 CG HIS A 88 1.491 -11.164 6.864 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.316 -9.805 6.734 1.00 0.00 N ATOM 1257 CD2 HIS A 88 1.751 -11.672 5.619 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.469 -9.504 5.432 1.00 0.00 C ATOM 1259 NE2 HIS A 88 1.735 -10.608 4.712 1.00 0.00 N ATOM 0 H HIS A 88 3.078 -10.630 9.759 1.00 0.00 H new ATOM 0 HA HIS A 88 0.176 -10.508 9.135 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.363 -12.454 8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.654 -12.728 8.041 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.109 -9.148 7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.935 -12.709 5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.389 -8.509 5.020 1.00 0.00 H new ATOM 1267 N THR A 89 -0.041 -12.950 10.431 1.00 0.00 N ATOM 1268 CA THR A 89 -0.369 -13.837 11.529 1.00 0.00 C ATOM 1269 C THR A 89 0.030 -15.263 11.181 1.00 0.00 C ATOM 1270 O THR A 89 -0.694 -16.207 11.490 1.00 0.00 O ATOM 1271 CB THR A 89 -1.864 -13.750 11.822 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.583 -13.778 10.609 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.163 -12.449 12.561 1.00 0.00 C ATOM 0 H THR A 89 -0.517 -13.169 9.556 1.00 0.00 H new ATOM 0 HA THR A 89 0.182 -13.536 12.420 1.00 0.00 H new ATOM 0 HB THR A 89 -2.163 -14.596 12.441 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.543 -13.723 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.231 -12.387 12.770 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.608 -12.427 13.499 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.864 -11.602 11.943 1.00 0.00 H new ATOM 1281 N VAL A 90 1.189 -15.419 10.536 1.00 0.00 N ATOM 1282 CA VAL A 90 1.679 -16.726 10.149 1.00 0.00 C ATOM 1283 C VAL A 90 3.045 -16.969 10.775 1.00 0.00 C ATOM 1284 O VAL A 90 3.470 -16.221 11.652 1.00 0.00 O ATOM 1285 CB VAL A 90 1.759 -16.809 8.627 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.448 -16.315 8.022 1.00 0.00 C ATOM 1287 CG2 VAL A 90 2.909 -15.939 8.130 1.00 0.00 C ATOM 0 H VAL A 90 1.801 -14.647 10.274 1.00 0.00 H new ATOM 0 HA VAL A 90 0.995 -17.496 10.506 1.00 0.00 H new ATOM 0 HB VAL A 90 1.931 -17.843 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.504 -16.374 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.374 -16.937 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.276 -15.281 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.966 -15.998 7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.738 -14.905 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.845 -16.292 8.563 1.00 0.00 H new ATOM 1297 N ASN A 91 3.734 -18.019 10.320 1.00 0.00 N ATOM 1298 CA ASN A 91 5.046 -18.352 10.837 1.00 0.00 C ATOM 1299 C ASN A 91 5.868 -17.084 11.022 1.00 0.00 C ATOM 1300 O ASN A 91 6.334 -16.799 12.123 1.00 0.00 O ATOM 1301 CB ASN A 91 5.742 -19.311 9.875 1.00 0.00 C ATOM 1302 CG ASN A 91 5.856 -20.702 10.483 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.251 -20.981 11.515 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.634 -21.575 9.838 1.00 0.00 N ATOM 0 H ASN A 91 3.396 -18.649 9.593 1.00 0.00 H new ATOM 0 HA ASN A 91 4.945 -18.839 11.807 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.184 -19.363 8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.735 -18.933 9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.746 -22.522 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.116 -21.295 8.984 1.00 0.00 H new ATOM 1311 N LYS A 92 6.045 -16.322 9.940 1.00 0.00 N ATOM 1312 CA LYS A 92 6.807 -15.091 9.990 1.00 0.00 C ATOM 1313 C LYS A 92 6.022 -13.968 9.327 1.00 0.00 C ATOM 1314 O LYS A 92 5.574 -13.041 9.998 1.00 0.00 O ATOM 1315 CB LYS A 92 8.149 -15.297 9.292 1.00 0.00 C ATOM 1316 CG LYS A 92 8.927 -16.400 10.003 1.00 0.00 C ATOM 1317 CD LYS A 92 10.382 -15.970 10.172 1.00 0.00 C ATOM 1318 CE LYS A 92 10.985 -16.679 11.382 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.326 -17.199 11.074 1.00 0.00 N ATOM 0 H LYS A 92 5.666 -16.545 9.020 1.00 0.00 H new ATOM 0 HA LYS A 92 6.989 -14.814 11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.991 -15.564 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.722 -14.370 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.482 -16.604 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.874 -17.325 9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.951 -16.213 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.440 -14.890 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.044 -15.987 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.335 -17.498 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.714 -17.676 11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.263 -17.877 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.950 -16.412 10.804 1.00 0.00 H new ATOM 1333 N ILE A 93 5.857 -14.054 8.005 1.00 0.00 N ATOM 1334 CA ILE A 93 5.127 -13.050 7.257 1.00 0.00 C ATOM 1335 C ILE A 93 4.468 -13.689 6.043 1.00 0.00 C ATOM 1336 O ILE A 93 3.247 -13.824 5.997 1.00 0.00 O ATOM 1337 CB ILE A 93 6.083 -11.939 6.832 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.508 -12.483 6.785 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.009 -10.792 7.836 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.431 -11.439 6.164 1.00 0.00 C ATOM 0 H ILE A 93 6.225 -14.816 7.436 1.00 0.00 H new ATOM 0 HA ILE A 93 4.346 -12.619 7.884 1.00 0.00 H new ATOM 0 HB ILE A 93 5.801 -11.576 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.847 -12.731 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.538 -13.403 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.692 -9.998 7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.992 -10.402 7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.291 -11.155 8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.449 -11.827 6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.095 -11.213 5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.409 -10.530 6.765 1.00 0.00 H new ATOM 1352 N THR A 94 5.278 -14.084 5.059 1.00 0.00 N ATOM 1353 CA THR A 94 4.766 -14.706 3.855 1.00 0.00 C ATOM 1354 C THR A 94 3.490 -14.006 3.411 1.00 0.00 C ATOM 1355 O THR A 94 2.401 -14.345 3.870 1.00 0.00 O ATOM 1356 CB THR A 94 4.506 -16.187 4.120 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.309 -16.330 4.850 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.665 -16.771 4.923 1.00 0.00 C ATOM 0 H THR A 94 6.292 -13.980 5.081 1.00 0.00 H new ATOM 0 HA THR A 94 5.501 -14.616 3.055 1.00 0.00 H new ATOM 0 HB THR A 94 4.418 -16.716 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.933 -15.445 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.480 -17.828 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.591 -16.660 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.753 -16.242 5.872 1.00 0.00 H new ATOM 1366 N PHE A 95 3.626 -13.026 2.515 1.00 0.00 N ATOM 1367 CA PHE A 95 2.484 -12.285 2.016 1.00 0.00 C ATOM 1368 C PHE A 95 1.326 -13.237 1.753 1.00 0.00 C ATOM 1369 O PHE A 95 1.521 -14.447 1.669 1.00 0.00 O ATOM 1370 CB PHE A 95 2.878 -11.546 0.740 1.00 0.00 C ATOM 1371 CG PHE A 95 2.380 -10.121 0.691 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.455 -9.314 1.832 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.841 -9.609 -0.495 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.991 -7.994 1.788 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.377 -8.288 -0.540 1.00 0.00 C ATOM 1376 CZ PHE A 95 1.453 -7.481 0.602 1.00 0.00 C ATOM 0 H PHE A 95 4.521 -12.733 2.124 1.00 0.00 H new ATOM 0 HA PHE A 95 2.165 -11.555 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.964 -11.546 0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.487 -12.089 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.871 -9.710 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.783 -10.232 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.048 -7.372 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.961 -7.892 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.096 -6.462 0.568 1.00 0.00 H new ATOM 1386 N SER A 96 0.117 -12.687 1.622 1.00 0.00 N ATOM 1387 CA SER A 96 -1.063 -13.488 1.368 1.00 0.00 C ATOM 1388 C SER A 96 -2.171 -12.611 0.803 1.00 0.00 C ATOM 1389 O SER A 96 -2.771 -12.945 -0.217 1.00 0.00 O ATOM 1390 CB SER A 96 -1.511 -14.157 2.665 1.00 0.00 C ATOM 1391 OG SER A 96 -1.164 -15.523 2.633 1.00 0.00 O ATOM 0 H SER A 96 -0.062 -11.685 1.689 1.00 0.00 H new ATOM 0 HA SER A 96 -0.831 -14.262 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.040 -13.671 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.588 -14.047 2.790 1.00 0.00 H new ATOM 0 HG SER A 96 -0.243 -15.619 2.312 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.442 -11.485 1.467 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.474 -10.569 1.025 1.00 0.00 C ATOM 1399 C GLU A 97 -4.846 -11.197 1.221 1.00 0.00 C ATOM 1400 O GLU A 97 -5.800 -10.839 0.535 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.245 -10.217 -0.442 1.00 0.00 C ATOM 1402 CG GLU A 97 -2.652 -8.815 -0.543 1.00 0.00 C ATOM 1403 CD GLU A 97 -1.382 -8.822 -1.383 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -0.693 -9.864 -1.361 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -1.125 -7.784 -2.031 1.00 0.00 O ATOM 0 H GLU A 97 -1.955 -11.193 2.314 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.430 -9.655 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.572 -10.942 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.186 -10.266 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.382 -8.138 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.431 -8.436 0.455 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.944 -12.137 2.164 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.196 -12.810 2.445 1.00 0.00 C ATOM 1415 C GLN A 98 -6.518 -12.704 3.929 1.00 0.00 C ATOM 1416 O GLN A 98 -7.664 -12.466 4.303 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.094 -14.271 2.018 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.658 -14.431 0.609 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.438 -15.846 0.093 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -6.658 -16.813 0.818 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -6.003 -15.964 -1.164 1.00 0.00 N ATOM 0 H GLN A 98 -4.163 -12.444 2.743 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.001 -12.336 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.054 -14.597 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.644 -14.904 2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.724 -14.202 0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.180 -13.717 -0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.835 -15.130 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.839 -16.889 -1.562 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.500 -12.880 4.775 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.672 -12.802 6.212 1.00 0.00 C ATOM 1432 C CYS A 99 -5.312 -11.404 6.694 1.00 0.00 C ATOM 1433 O CYS A 99 -4.136 -11.086 6.855 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.793 -13.852 6.886 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.662 -14.490 8.341 1.00 0.00 S ATOM 0 H CYS A 99 -4.545 -13.079 4.478 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.712 -12.999 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.573 -14.663 6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.838 -13.415 7.178 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.927 -15.388 8.926 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.327 -10.569 6.925 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.109 -9.212 7.386 1.00 0.00 C ATOM 1443 C TYR A 100 -4.861 -9.156 8.255 1.00 0.00 C ATOM 1444 O TYR A 100 -4.774 -9.851 9.265 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.332 -8.738 8.164 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.994 -9.829 8.971 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.988 -10.625 8.389 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.613 -10.046 10.301 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.601 -11.638 9.137 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.226 -11.058 11.049 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.220 -11.854 10.467 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.817 -12.841 11.195 1.00 0.00 O ATOM 0 H TYR A 100 -7.308 -10.817 6.797 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.961 -8.553 6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.036 -7.931 8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.058 -8.322 7.465 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.282 -10.458 7.363 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.846 -9.432 10.750 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.367 -12.252 8.688 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.932 -11.225 12.075 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.436 -12.858 12.098 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.893 -8.326 7.861 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.657 -8.187 8.605 1.00 0.00 C ATOM 1464 C TYR A 101 -2.490 -6.745 9.063 1.00 0.00 C ATOM 1465 O TYR A 101 -3.376 -5.919 8.855 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.485 -8.614 7.726 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.453 -10.097 7.443 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.858 -11.006 8.428 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.018 -10.563 6.197 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.829 -12.381 8.166 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.988 -11.938 5.935 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.394 -12.847 6.920 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.365 -14.187 6.665 1.00 0.00 O ATOM 0 H TYR A 101 -3.950 -7.742 7.027 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.685 -8.827 9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.534 -8.073 6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.553 -8.325 8.211 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.193 -10.646 9.390 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.705 -9.862 5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.142 -13.082 8.925 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.652 -12.298 4.974 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.039 -14.340 5.754 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.350 -6.444 9.688 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.072 -5.107 10.172 1.00 0.00 C ATOM 1485 C VAL A 102 0.417 -4.815 10.052 1.00 0.00 C ATOM 1486 O VAL A 102 1.244 -5.690 10.296 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.533 -4.985 11.621 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.326 -4.728 12.519 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.517 -3.825 11.746 1.00 0.00 C ATOM 0 H VAL A 102 -0.606 -7.118 9.867 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.614 -4.378 9.570 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.022 -5.910 11.926 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.655 -4.641 13.555 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.377 -5.557 12.430 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.164 -3.803 12.215 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.847 -3.737 12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.029 -2.899 11.441 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.379 -4.009 11.105 1.00 0.00 H new ATOM 1499 N PHE A 103 0.757 -3.580 9.675 1.00 0.00 N ATOM 1500 CA PHE A 103 2.142 -3.182 9.527 1.00 0.00 C ATOM 1501 C PHE A 103 2.976 -3.789 10.647 1.00 0.00 C ATOM 1502 O PHE A 103 2.434 -4.241 11.653 1.00 0.00 O ATOM 1503 CB PHE A 103 2.237 -1.659 9.545 1.00 0.00 C ATOM 1504 CG PHE A 103 1.723 -1.038 10.822 1.00 0.00 C ATOM 1505 CD1 PHE A 103 0.350 -0.823 10.992 1.00 0.00 C ATOM 1506 CD2 PHE A 103 2.619 -0.675 11.834 1.00 0.00 C ATOM 1507 CE1 PHE A 103 -0.127 -0.245 12.174 1.00 0.00 C ATOM 1508 CE2 PHE A 103 2.142 -0.097 13.017 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.769 0.118 13.187 1.00 0.00 C ATOM 0 H PHE A 103 0.083 -2.843 9.468 1.00 0.00 H new ATOM 0 HA PHE A 103 2.530 -3.546 8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.277 -1.366 9.401 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.673 -1.258 8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.341 -1.103 10.211 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.678 -0.841 11.703 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.186 -0.079 12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.833 0.183 13.798 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.401 0.564 14.099 1.00 0.00 H new ATOM 1519 N GLY A 104 4.300 -3.797 10.472 1.00 0.00 N ATOM 1520 CA GLY A 104 5.196 -4.348 11.468 1.00 0.00 C ATOM 1521 C GLY A 104 6.447 -3.489 11.585 1.00 0.00 C ATOM 1522 O GLY A 104 6.525 -2.416 10.990 1.00 0.00 O ATOM 0 H GLY A 104 4.767 -3.425 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.691 -4.400 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.470 -5.367 11.196 1.00 0.00 H new ATOM 1526 N ASP A 105 7.429 -3.964 12.355 1.00 0.00 N ATOM 1527 CA ASP A 105 8.669 -3.239 12.547 1.00 0.00 C ATOM 1528 C ASP A 105 9.648 -4.093 13.339 1.00 0.00 C ATOM 1529 O ASP A 105 9.245 -5.043 14.007 1.00 0.00 O ATOM 1530 CB ASP A 105 8.383 -1.928 13.274 1.00 0.00 C ATOM 1531 CG ASP A 105 8.218 -2.160 14.769 1.00 0.00 C ATOM 1532 OD1 ASP A 105 9.111 -1.706 15.516 1.00 0.00 O ATOM 1533 OD2 ASP A 105 7.201 -2.788 15.137 1.00 0.00 O ATOM 0 H ASP A 105 7.380 -4.852 12.854 1.00 0.00 H new ATOM 0 HA ASP A 105 9.116 -3.012 11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.198 -1.225 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.478 -1.474 12.870 1.00 0.00 H new