USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 715 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 88 THR OG1 : rot 83:sc= 1.22 USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1 K(o=2.2,f=-2.7) USER MOD Set 2.1: A 79 HIS : no HD1:sc= -4.31! C(o=-3!,f=-7.4!) USER MOD Set 2.2: A 87 THR OG1 : rot -23:sc= 1.28 USER MOD Single : A 47 THR OG1 : rot -22:sc= 0.245 USER MOD Single : A 50 SER OG : rot -20:sc= 0.882! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0215 K(o=-0.021,f=-2.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 74:sc= -0.0198 USER MOD Single : A 63 SER OG : rot -62:sc= 0.686 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 146:sc= -0.352 (180deg=-1.62!) USER MOD Single : A 72 MET CE :methyl -111:sc= -1.07 (180deg=-3.15!) USER MOD Single : A 74 HIS : no HE2:sc= -1 K(o=-1,f=-2!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 130:sc= -0.0682 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 83 SER OG : rot 110:sc= 0.0978 USER MOD Single : A 85 SER OG : rot 180:sc=-0.00798 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -104:sc= 0.937 USER MOD Single : A 94 ASN : amide:sc= -1.14! C(o=-1.1!,f=-2.6!) USER MOD Single : A 97 ASN : amide:sc= -0.0464 K(o=-0.046,f=-1.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= -0.277 (180deg=-1.51) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 103:sc= 1.28 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 130 GLN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 132 TYR OH : rot -65:sc= 1.39 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.652 13.365 -1.361 1.00 0.00 N ATOM 103 CA THR A 47 4.623 12.471 -2.512 1.00 0.00 C ATOM 104 C THR A 47 5.525 11.262 -2.293 1.00 0.00 C ATOM 105 O THR A 47 6.374 10.949 -3.128 1.00 0.00 O ATOM 106 CB THR A 47 5.061 13.197 -3.798 1.00 0.00 C ATOM 107 OG1 THR A 47 6.224 13.991 -3.540 1.00 0.00 O ATOM 108 CG2 THR A 47 3.943 14.083 -4.327 1.00 0.00 C ATOM 0 HA THR A 47 3.592 12.136 -2.625 1.00 0.00 H new ATOM 0 HB THR A 47 5.295 12.445 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.284 14.181 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.276 14.585 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.069 13.471 -4.550 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.682 14.828 -3.575 1.00 0.00 H new ATOM 116 N ILE A 48 5.335 10.585 -1.165 1.00 0.00 N ATOM 117 CA ILE A 48 6.131 9.409 -0.838 1.00 0.00 C ATOM 118 C ILE A 48 5.533 8.151 -1.458 1.00 0.00 C ATOM 119 O ILE A 48 6.180 7.104 -1.511 1.00 0.00 O ATOM 120 CB ILE A 48 6.245 9.212 0.685 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.855 9.075 1.309 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.002 10.372 1.314 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.867 8.433 2.679 1.00 0.00 C ATOM 0 H ILE A 48 4.637 10.831 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 48 7.126 9.577 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 48 6.801 8.294 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.400 10.063 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.225 8.483 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.074 10.218 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.003 10.427 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.471 11.303 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.848 8.369 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.292 7.432 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.470 9.036 3.358 1.00 0.00 H new ATOM 135 N PHE A 49 4.296 8.261 -1.929 1.00 0.00 N ATOM 136 CA PHE A 49 3.610 7.132 -2.548 1.00 0.00 C ATOM 137 C PHE A 49 3.250 7.443 -3.998 1.00 0.00 C ATOM 138 O PHE A 49 2.502 6.701 -4.635 1.00 0.00 O ATOM 139 CB PHE A 49 2.346 6.782 -1.760 1.00 0.00 C ATOM 140 CG PHE A 49 2.622 6.051 -0.477 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.085 4.745 -0.494 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.418 6.670 0.746 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.340 4.070 0.684 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.672 6.000 1.927 1.00 0.00 C ATOM 145 CZ PHE A 49 3.132 4.698 1.897 1.00 0.00 C ATOM 0 H PHE A 49 3.747 9.120 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 49 4.286 6.277 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.801 7.699 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.696 6.170 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.248 4.249 -1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.057 7.687 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.701 3.053 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.511 6.494 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.329 4.172 2.820 1.00 0.00 H new ATOM 155 N SER A 50 3.787 8.545 -4.512 1.00 0.00 N ATOM 156 CA SER A 50 3.519 8.957 -5.884 1.00 0.00 C ATOM 157 C SER A 50 3.817 7.823 -6.860 1.00 0.00 C ATOM 158 O SER A 50 4.963 7.401 -7.008 1.00 0.00 O ATOM 159 CB SER A 50 4.356 10.186 -6.243 1.00 0.00 C ATOM 160 OG SER A 50 5.590 9.810 -6.830 1.00 0.00 O ATOM 0 H SER A 50 4.410 9.168 -3.999 1.00 0.00 H new ATOM 0 HA SER A 50 2.462 9.211 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.799 10.820 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.542 10.778 -5.347 1.00 0.00 H new ATOM 0 HG SER A 50 5.796 8.882 -6.593 1.00 0.00 H new ATOM 166 N GLY A 51 2.775 7.333 -7.525 1.00 0.00 N ATOM 167 CA GLY A 51 2.944 6.252 -8.478 1.00 0.00 C ATOM 168 C GLY A 51 3.004 4.893 -7.809 1.00 0.00 C ATOM 169 O GLY A 51 3.716 3.998 -8.267 1.00 0.00 O ATOM 0 H GLY A 51 1.816 7.666 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.119 6.267 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.859 6.414 -9.048 1.00 0.00 H new ATOM 173 N VAL A 52 2.257 4.737 -6.721 1.00 0.00 N ATOM 174 CA VAL A 52 2.228 3.478 -5.987 1.00 0.00 C ATOM 175 C VAL A 52 0.797 3.003 -5.765 1.00 0.00 C ATOM 176 O VAL A 52 0.077 3.542 -4.925 1.00 0.00 O ATOM 177 CB VAL A 52 2.932 3.607 -4.623 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.614 2.408 -3.743 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.434 3.756 -4.811 1.00 0.00 C ATOM 0 H VAL A 52 1.663 5.468 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 52 2.760 2.746 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 52 2.560 4.502 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.120 2.516 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.538 2.351 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.956 1.496 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.915 3.846 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.824 2.880 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.640 4.649 -5.401 1.00 0.00 H new ATOM 189 N ALA A 53 0.390 1.991 -6.524 1.00 0.00 N ATOM 190 CA ALA A 53 -0.955 1.441 -6.409 1.00 0.00 C ATOM 191 C ALA A 53 -0.974 0.226 -5.488 1.00 0.00 C ATOM 192 O ALA A 53 -0.232 -0.734 -5.697 1.00 0.00 O ATOM 193 CB ALA A 53 -1.495 1.074 -7.783 1.00 0.00 C ATOM 0 H ALA A 53 0.973 1.535 -7.226 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.597 2.205 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.500 0.665 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.528 1.964 -8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.845 0.330 -8.243 1.00 0.00 H new ATOM 199 N ILE A 54 -1.827 0.275 -4.470 1.00 0.00 N ATOM 200 CA ILE A 54 -1.942 -0.823 -3.518 1.00 0.00 C ATOM 201 C ILE A 54 -3.289 -1.526 -3.650 1.00 0.00 C ATOM 202 O ILE A 54 -4.302 -0.897 -3.959 1.00 0.00 O ATOM 203 CB ILE A 54 -1.772 -0.332 -2.068 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.963 0.536 -1.658 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.470 0.442 -1.921 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.106 0.696 -0.160 1.00 0.00 C ATOM 0 H ILE A 54 -2.448 1.062 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.143 -1.527 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.734 -1.199 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.858 1.521 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.877 0.097 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.364 0.783 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.369 -0.205 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.481 1.303 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.971 1.323 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.243 -0.283 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.208 1.164 0.243 1.00 0.00 H new ATOM 218 N TYR A 55 -3.294 -2.833 -3.411 1.00 0.00 N ATOM 219 CA TYR A 55 -4.517 -3.621 -3.504 1.00 0.00 C ATOM 220 C TYR A 55 -4.662 -4.545 -2.298 1.00 0.00 C ATOM 221 O TYR A 55 -3.985 -5.568 -2.199 1.00 0.00 O ATOM 222 CB TYR A 55 -4.522 -4.444 -4.793 1.00 0.00 C ATOM 223 CG TYR A 55 -5.611 -5.492 -4.839 1.00 0.00 C ATOM 224 CD1 TYR A 55 -6.914 -5.152 -5.181 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.337 -6.821 -4.540 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.913 -6.106 -5.224 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.329 -7.781 -4.582 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.615 -7.419 -4.924 1.00 0.00 C ATOM 229 OH TYR A 55 -8.607 -8.373 -4.965 1.00 0.00 O ATOM 0 H TYR A 55 -2.465 -3.368 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.362 -2.933 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.640 -3.772 -5.643 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.554 -4.933 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.150 -4.125 -5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.331 -7.108 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.921 -5.825 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.099 -8.810 -4.348 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.231 -9.246 -4.728 1.00 0.00 H new ATOM 239 N VAL A 56 -5.552 -4.175 -1.382 1.00 0.00 N ATOM 240 CA VAL A 56 -5.789 -4.969 -0.183 1.00 0.00 C ATOM 241 C VAL A 56 -6.585 -6.229 -0.506 1.00 0.00 C ATOM 242 O VAL A 56 -7.639 -6.165 -1.137 1.00 0.00 O ATOM 243 CB VAL A 56 -6.545 -4.159 0.887 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.761 -4.996 2.138 1.00 0.00 C ATOM 245 CG2 VAL A 56 -5.793 -2.878 1.215 1.00 0.00 C ATOM 0 H VAL A 56 -6.120 -3.331 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.811 -5.250 0.208 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.523 -3.887 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.297 -4.407 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.345 -5.881 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.796 -5.301 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.341 -2.318 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.801 -3.125 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.697 -2.272 0.314 1.00 0.00 H new ATOM 255 N ASN A 57 -6.071 -7.375 -0.069 1.00 0.00 N ATOM 256 CA ASN A 57 -6.734 -8.651 -0.312 1.00 0.00 C ATOM 257 C ASN A 57 -6.976 -9.396 0.997 1.00 0.00 C ATOM 258 O ASN A 57 -6.038 -9.875 1.634 1.00 0.00 O ATOM 259 CB ASN A 57 -5.893 -9.514 -1.255 1.00 0.00 C ATOM 260 CG ASN A 57 -6.708 -10.608 -1.918 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.823 -10.911 -1.493 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.153 -11.207 -2.965 1.00 0.00 N ATOM 0 H ASN A 57 -5.198 -7.446 0.455 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.698 -8.449 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.447 -8.881 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.072 -9.964 -0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.653 -11.951 -3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.226 -10.923 -3.283 1.00 0.00 H new ATOM 269 N GLY A 58 -8.242 -9.492 1.392 1.00 0.00 N ATOM 270 CA GLY A 58 -8.585 -10.180 2.623 1.00 0.00 C ATOM 271 C GLY A 58 -8.573 -9.258 3.826 1.00 0.00 C ATOM 272 O GLY A 58 -8.578 -8.036 3.680 1.00 0.00 O ATOM 0 H GLY A 58 -9.036 -9.106 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.574 -10.627 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.881 -10.996 2.788 1.00 0.00 H new ATOM 276 N TYR A 59 -8.559 -9.844 5.018 1.00 0.00 N ATOM 277 CA TYR A 59 -8.551 -9.067 6.251 1.00 0.00 C ATOM 278 C TYR A 59 -7.174 -8.461 6.504 1.00 0.00 C ATOM 279 O TYR A 59 -6.154 -9.145 6.413 1.00 0.00 O ATOM 280 CB TYR A 59 -8.958 -9.945 7.435 1.00 0.00 C ATOM 281 CG TYR A 59 -8.395 -9.479 8.758 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.075 -9.741 9.104 1.00 0.00 C ATOM 283 CD2 TYR A 59 -9.182 -8.777 9.663 1.00 0.00 C ATOM 284 CE1 TYR A 59 -6.555 -9.317 10.312 1.00 0.00 C ATOM 285 CE2 TYR A 59 -8.670 -8.348 10.872 1.00 0.00 C ATOM 286 CZ TYR A 59 -7.357 -8.620 11.192 1.00 0.00 C ATOM 287 OH TYR A 59 -6.844 -8.196 12.397 1.00 0.00 O ATOM 0 H TYR A 59 -8.553 -10.855 5.156 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.271 -8.256 6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.046 -9.969 7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.627 -10.967 7.249 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.444 -10.286 8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.212 -8.563 9.417 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.527 -9.530 10.566 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.295 -7.802 11.563 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.538 -7.719 12.899 1.00 0.00 H new ATOM 297 N THR A 60 -7.152 -7.170 6.823 1.00 0.00 N ATOM 298 CA THR A 60 -5.902 -6.470 7.089 1.00 0.00 C ATOM 299 C THR A 60 -6.114 -5.316 8.062 1.00 0.00 C ATOM 300 O THR A 60 -7.228 -4.811 8.207 1.00 0.00 O ATOM 301 CB THR A 60 -5.277 -5.924 5.791 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.199 -5.048 5.134 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.893 -7.060 4.856 1.00 0.00 C ATOM 0 H THR A 60 -7.986 -6.589 6.903 1.00 0.00 H new ATOM 0 HA THR A 60 -5.222 -7.196 7.534 1.00 0.00 H new ATOM 0 HB THR A 60 -4.375 -5.370 6.053 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.247 -4.199 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.454 -6.650 3.946 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.168 -7.708 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.781 -7.638 4.601 1.00 0.00 H new ATOM 311 N ASP A 61 -5.040 -4.901 8.725 1.00 0.00 N ATOM 312 CA ASP A 61 -5.109 -3.804 9.683 1.00 0.00 C ATOM 313 C ASP A 61 -4.036 -2.760 9.391 1.00 0.00 C ATOM 314 O ASP A 61 -2.840 -3.051 9.372 1.00 0.00 O ATOM 315 CB ASP A 61 -4.949 -4.334 11.109 1.00 0.00 C ATOM 316 CG ASP A 61 -4.397 -3.287 12.057 1.00 0.00 C ATOM 317 OD1 ASP A 61 -4.886 -2.139 12.021 1.00 0.00 O ATOM 318 OD2 ASP A 61 -3.476 -3.615 12.833 1.00 0.00 O ATOM 0 H ASP A 61 -4.111 -5.308 8.616 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.086 -3.331 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.916 -4.679 11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.285 -5.198 11.100 1.00 0.00 H new ATOM 323 N PRO A 62 -4.472 -1.513 9.158 1.00 0.00 N ATOM 324 CA PRO A 62 -5.893 -1.154 9.177 1.00 0.00 C ATOM 325 C PRO A 62 -6.657 -1.747 7.998 1.00 0.00 C ATOM 326 O PRO A 62 -6.070 -2.381 7.122 1.00 0.00 O ATOM 327 CB PRO A 62 -5.874 0.374 9.088 1.00 0.00 C ATOM 328 CG PRO A 62 -4.586 0.698 8.414 1.00 0.00 C ATOM 329 CD PRO A 62 -3.610 -0.357 8.856 1.00 0.00 C ATOM 0 HA PRO A 62 -6.398 -1.537 10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.724 0.748 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.929 0.829 10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.701 0.694 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.239 1.693 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.887 -0.588 8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.043 -0.039 9.731 1.00 0.00 H new ATOM 337 N SER A 63 -7.969 -1.537 7.983 1.00 0.00 N ATOM 338 CA SER A 63 -8.814 -2.054 6.913 1.00 0.00 C ATOM 339 C SER A 63 -8.499 -1.362 5.590 1.00 0.00 C ATOM 340 O SER A 63 -7.757 -0.381 5.552 1.00 0.00 O ATOM 341 CB SER A 63 -10.291 -1.862 7.263 1.00 0.00 C ATOM 342 OG SER A 63 -10.610 -0.488 7.394 1.00 0.00 O ATOM 0 H SER A 63 -8.470 -1.012 8.700 1.00 0.00 H new ATOM 0 HA SER A 63 -8.609 -3.119 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.913 -2.311 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.518 -2.381 8.194 1.00 0.00 H new ATOM 0 HG SER A 63 -10.094 -0.101 8.132 1.00 0.00 H new ATOM 348 N ALA A 64 -9.070 -1.881 4.508 1.00 0.00 N ATOM 349 CA ALA A 64 -8.852 -1.313 3.183 1.00 0.00 C ATOM 350 C ALA A 64 -9.409 0.104 3.095 1.00 0.00 C ATOM 351 O ALA A 64 -8.776 0.995 2.529 1.00 0.00 O ATOM 352 CB ALA A 64 -9.486 -2.197 2.119 1.00 0.00 C ATOM 0 H ALA A 64 -9.687 -2.693 4.523 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.777 -1.265 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.316 -1.761 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.039 -3.191 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.558 -2.274 2.301 1.00 0.00 H new ATOM 358 N GLU A 65 -10.596 0.305 3.658 1.00 0.00 N ATOM 359 CA GLU A 65 -11.238 1.614 3.641 1.00 0.00 C ATOM 360 C GLU A 65 -10.294 2.689 4.171 1.00 0.00 C ATOM 361 O GLU A 65 -10.140 3.748 3.564 1.00 0.00 O ATOM 362 CB GLU A 65 -12.520 1.590 4.475 1.00 0.00 C ATOM 363 CG GLU A 65 -13.191 2.947 4.600 1.00 0.00 C ATOM 364 CD GLU A 65 -14.067 3.277 3.407 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.507 2.334 2.716 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.311 4.477 3.163 1.00 0.00 O ATOM 0 H GLU A 65 -11.133 -0.422 4.132 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.490 1.853 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.222 0.887 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.288 1.216 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.796 2.967 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.427 3.717 4.709 1.00 0.00 H new ATOM 373 N GLU A 66 -9.664 2.408 5.308 1.00 0.00 N ATOM 374 CA GLU A 66 -8.736 3.352 5.920 1.00 0.00 C ATOM 375 C GLU A 66 -7.594 3.688 4.966 1.00 0.00 C ATOM 376 O GLU A 66 -7.357 4.855 4.650 1.00 0.00 O ATOM 377 CB GLU A 66 -8.176 2.777 7.223 1.00 0.00 C ATOM 378 CG GLU A 66 -9.208 2.665 8.332 1.00 0.00 C ATOM 379 CD GLU A 66 -8.713 1.845 9.508 1.00 0.00 C ATOM 380 OE1 GLU A 66 -8.062 2.425 10.403 1.00 0.00 O ATOM 381 OE2 GLU A 66 -8.976 0.625 9.534 1.00 0.00 O ATOM 0 H GLU A 66 -9.779 1.535 5.823 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.282 4.269 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.759 1.789 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.355 3.407 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.475 3.664 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.116 2.212 7.934 1.00 0.00 H new ATOM 388 N LEU A 67 -6.888 2.659 4.512 1.00 0.00 N ATOM 389 CA LEU A 67 -5.769 2.843 3.594 1.00 0.00 C ATOM 390 C LEU A 67 -6.200 3.634 2.363 1.00 0.00 C ATOM 391 O LEU A 67 -5.450 4.466 1.853 1.00 0.00 O ATOM 392 CB LEU A 67 -5.202 1.487 3.171 1.00 0.00 C ATOM 393 CG LEU A 67 -4.748 0.566 4.305 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.544 -0.851 3.792 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.471 1.094 4.942 1.00 0.00 C ATOM 0 H LEU A 67 -7.070 1.688 4.765 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.994 3.407 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.960 0.965 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.354 1.661 2.509 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.528 0.546 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.221 -1.492 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.481 -1.229 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.783 -0.849 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.163 0.426 5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.683 1.144 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.651 2.090 5.346 1.00 0.00 H new ATOM 407 N ARG A 68 -7.414 3.368 1.890 1.00 0.00 N ATOM 408 CA ARG A 68 -7.945 4.055 0.719 1.00 0.00 C ATOM 409 C ARG A 68 -7.743 5.563 0.836 1.00 0.00 C ATOM 410 O ARG A 68 -7.141 6.189 -0.037 1.00 0.00 O ATOM 411 CB ARG A 68 -9.432 3.740 0.547 1.00 0.00 C ATOM 412 CG ARG A 68 -10.030 4.304 -0.731 1.00 0.00 C ATOM 413 CD ARG A 68 -11.280 3.543 -1.144 1.00 0.00 C ATOM 414 NE ARG A 68 -11.779 3.977 -2.446 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.853 3.459 -3.031 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.537 2.493 -2.433 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.246 3.906 -4.217 1.00 0.00 N ATOM 0 H ARG A 68 -8.048 2.682 2.300 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.402 3.700 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.569 2.659 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.980 4.138 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.275 5.356 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.292 4.256 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.060 2.476 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.056 3.686 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.275 4.718 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.239 2.146 -1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.361 2.097 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.723 4.649 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.071 3.507 -4.665 1.00 0.00 H new ATOM 431 N LYS A 69 -8.252 6.141 1.918 1.00 0.00 N ATOM 432 CA LYS A 69 -8.128 7.575 2.151 1.00 0.00 C ATOM 433 C LYS A 69 -6.671 7.967 2.371 1.00 0.00 C ATOM 434 O LYS A 69 -6.236 9.042 1.955 1.00 0.00 O ATOM 435 CB LYS A 69 -8.967 7.990 3.361 1.00 0.00 C ATOM 436 CG LYS A 69 -10.448 8.133 3.055 1.00 0.00 C ATOM 437 CD LYS A 69 -11.194 6.831 3.292 1.00 0.00 C ATOM 438 CE LYS A 69 -11.434 6.588 4.775 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.576 7.391 5.291 1.00 0.00 N ATOM 0 H LYS A 69 -8.755 5.638 2.649 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.496 8.094 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.838 7.252 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.591 8.938 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.876 8.917 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.578 8.445 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.149 6.857 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.623 6.002 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.630 5.529 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.532 6.838 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.707 7.197 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.378 8.403 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.442 7.135 4.775 1.00 0.00 H new ATOM 453 N LEU A 70 -5.919 7.088 3.026 1.00 0.00 N ATOM 454 CA LEU A 70 -4.509 7.342 3.300 1.00 0.00 C ATOM 455 C LEU A 70 -3.727 7.525 2.003 1.00 0.00 C ATOM 456 O LEU A 70 -2.829 8.362 1.922 1.00 0.00 O ATOM 457 CB LEU A 70 -3.911 6.190 4.110 1.00 0.00 C ATOM 458 CG LEU A 70 -4.504 5.972 5.503 1.00 0.00 C ATOM 459 CD1 LEU A 70 -4.155 4.585 6.020 1.00 0.00 C ATOM 460 CD2 LEU A 70 -4.011 7.041 6.466 1.00 0.00 C ATOM 0 H LEU A 70 -6.262 6.194 3.377 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.437 8.262 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.030 5.270 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.840 6.364 4.216 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.589 6.049 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.585 4.448 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.558 3.832 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.072 4.480 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.443 6.870 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.924 6.996 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.312 8.024 6.104 1.00 0.00 H new ATOM 472 N MET A 71 -4.076 6.738 0.991 1.00 0.00 N ATOM 473 CA MET A 71 -3.409 6.816 -0.303 1.00 0.00 C ATOM 474 C MET A 71 -3.783 8.103 -1.031 1.00 0.00 C ATOM 475 O MET A 71 -2.925 8.937 -1.318 1.00 0.00 O ATOM 476 CB MET A 71 -3.774 5.605 -1.164 1.00 0.00 C ATOM 477 CG MET A 71 -3.230 4.291 -0.627 1.00 0.00 C ATOM 478 SD MET A 71 -1.483 4.056 -1.007 1.00 0.00 S ATOM 479 CE MET A 71 -0.740 4.406 0.584 1.00 0.00 C ATOM 0 H MET A 71 -4.817 6.039 1.042 1.00 0.00 H new ATOM 0 HA MET A 71 -2.333 6.817 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.859 5.536 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.395 5.760 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.370 4.258 0.453 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.804 3.465 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.140 3.777 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.446 5.455 0.626 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.461 4.199 1.375 1.00 0.00 H new ATOM 489 N MET A 72 -5.070 8.258 -1.327 1.00 0.00 N ATOM 490 CA MET A 72 -5.557 9.444 -2.021 1.00 0.00 C ATOM 491 C MET A 72 -4.996 10.713 -1.387 1.00 0.00 C ATOM 492 O MET A 72 -4.715 11.693 -2.078 1.00 0.00 O ATOM 493 CB MET A 72 -7.086 9.482 -1.999 1.00 0.00 C ATOM 494 CG MET A 72 -7.663 9.954 -0.675 1.00 0.00 C ATOM 495 SD MET A 72 -9.457 10.131 -0.722 1.00 0.00 S ATOM 496 CE MET A 72 -9.962 8.420 -0.882 1.00 0.00 C ATOM 0 H MET A 72 -5.794 7.577 -1.097 1.00 0.00 H new ATOM 0 HA MET A 72 -5.217 9.395 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.436 10.140 -2.794 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.469 8.485 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.392 9.246 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.214 10.911 -0.408 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.385 8.257 -1.873 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.097 7.771 -0.745 1.00 0.00 H new ATOM 0 HE3 MET A 72 -10.712 8.190 -0.125 1.00 0.00 H new ATOM 506 N LEU A 73 -4.835 10.689 -0.068 1.00 0.00 N ATOM 507 CA LEU A 73 -4.308 11.838 0.659 1.00 0.00 C ATOM 508 C LEU A 73 -2.793 11.933 0.504 1.00 0.00 C ATOM 509 O LEU A 73 -2.237 13.025 0.386 1.00 0.00 O ATOM 510 CB LEU A 73 -4.675 11.741 2.141 1.00 0.00 C ATOM 511 CG LEU A 73 -6.128 12.061 2.495 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.568 11.267 3.715 1.00 0.00 C ATOM 513 CD2 LEU A 73 -6.301 13.554 2.736 1.00 0.00 C ATOM 0 H LEU A 73 -5.062 9.886 0.519 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.755 12.739 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.452 10.731 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.028 12.417 2.700 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.759 11.773 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.604 11.508 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.482 10.201 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.933 11.522 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.341 13.764 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.659 13.866 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.027 14.102 1.835 1.00 0.00 H new ATOM 525 N HIS A 74 -2.130 10.780 0.504 1.00 0.00 N ATOM 526 CA HIS A 74 -0.680 10.732 0.361 1.00 0.00 C ATOM 527 C HIS A 74 -0.284 10.530 -1.099 1.00 0.00 C ATOM 528 O HIS A 74 0.746 9.928 -1.396 1.00 0.00 O ATOM 529 CB HIS A 74 -0.098 9.609 1.219 1.00 0.00 C ATOM 530 CG HIS A 74 0.056 9.977 2.663 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.231 10.466 3.194 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.826 9.925 3.688 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.065 10.698 4.484 1.00 0.00 C ATOM 534 NE2 HIS A 74 -0.175 10.379 4.809 1.00 0.00 N ATOM 0 H HIS A 74 -2.575 9.867 0.601 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.275 11.685 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.742 8.733 1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.875 9.325 0.819 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.093 10.624 2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.851 9.589 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.816 11.083 5.158 1.00 0.00 H new ATOM 542 N GLY A 75 -1.113 11.037 -2.007 1.00 0.00 N ATOM 543 CA GLY A 75 -0.833 10.901 -3.425 1.00 0.00 C ATOM 544 C GLY A 75 -0.613 9.459 -3.836 1.00 0.00 C ATOM 545 O GLY A 75 0.407 9.126 -4.439 1.00 0.00 O ATOM 0 H GLY A 75 -1.973 11.539 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.662 11.316 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.052 11.486 -3.675 1.00 0.00 H new ATOM 549 N GLY A 76 -1.572 8.598 -3.508 1.00 0.00 N ATOM 550 CA GLY A 76 -1.459 7.194 -3.854 1.00 0.00 C ATOM 551 C GLY A 76 -2.543 6.743 -4.812 1.00 0.00 C ATOM 552 O GLY A 76 -3.282 7.565 -5.354 1.00 0.00 O ATOM 0 H GLY A 76 -2.425 8.849 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.483 7.011 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.509 6.594 -2.945 1.00 0.00 H new ATOM 556 N GLN A 77 -2.638 5.434 -5.023 1.00 0.00 N ATOM 557 CA GLN A 77 -3.639 4.876 -5.925 1.00 0.00 C ATOM 558 C GLN A 77 -4.305 3.651 -5.308 1.00 0.00 C ATOM 559 O GLN A 77 -3.662 2.870 -4.606 1.00 0.00 O ATOM 560 CB GLN A 77 -3.000 4.505 -7.263 1.00 0.00 C ATOM 561 CG GLN A 77 -2.669 5.706 -8.134 1.00 0.00 C ATOM 562 CD GLN A 77 -2.503 5.340 -9.596 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.565 4.633 -9.968 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.415 5.819 -10.434 1.00 0.00 N ATOM 0 H GLN A 77 -2.034 4.740 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.403 5.635 -6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.087 3.940 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.676 3.846 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.461 6.449 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.751 6.169 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.175 6.401 -10.082 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.355 5.605 -11.430 1.00 0.00 H new ATOM 573 N TYR A 78 -5.596 3.488 -5.574 1.00 0.00 N ATOM 574 CA TYR A 78 -6.350 2.359 -5.043 1.00 0.00 C ATOM 575 C TYR A 78 -7.133 1.658 -6.149 1.00 0.00 C ATOM 576 O TYR A 78 -7.631 2.299 -7.075 1.00 0.00 O ATOM 577 CB TYR A 78 -7.305 2.827 -3.944 1.00 0.00 C ATOM 578 CG TYR A 78 -8.004 1.695 -3.226 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.216 1.196 -3.688 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.452 1.124 -2.086 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.858 0.162 -3.034 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.087 0.089 -1.426 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.289 -0.388 -1.904 1.00 0.00 C ATOM 584 OH TYR A 78 -9.925 -1.418 -1.251 1.00 0.00 O ATOM 0 H TYR A 78 -6.143 4.124 -6.155 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.640 1.649 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.747 3.418 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.055 3.486 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.664 1.624 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.510 1.495 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.800 -0.214 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.644 -0.344 -0.541 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.291 -2.150 -1.100 1.00 0.00 H new ATOM 594 N HIS A 79 -7.239 0.337 -6.045 1.00 0.00 N ATOM 595 CA HIS A 79 -7.963 -0.453 -7.035 1.00 0.00 C ATOM 596 C HIS A 79 -8.917 -1.431 -6.357 1.00 0.00 C ATOM 597 O HIS A 79 -8.520 -2.191 -5.474 1.00 0.00 O ATOM 598 CB HIS A 79 -6.982 -1.214 -7.927 1.00 0.00 C ATOM 599 CG HIS A 79 -5.997 -0.329 -8.626 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.684 -0.690 -8.845 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.139 0.907 -9.158 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.061 0.287 -9.480 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.922 1.268 -9.683 1.00 0.00 N ATOM 0 H HIS A 79 -6.833 -0.209 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.548 0.229 -7.651 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.440 -1.939 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.543 -1.778 -8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.042 1.500 -9.168 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.024 0.284 -9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.717 2.150 -10.153 1.00 0.00 H new ATOM 611 N VAL A 80 -10.179 -1.405 -6.776 1.00 0.00 N ATOM 612 CA VAL A 80 -11.190 -2.290 -6.210 1.00 0.00 C ATOM 613 C VAL A 80 -10.955 -3.735 -6.633 1.00 0.00 C ATOM 614 O VAL A 80 -11.235 -4.668 -5.879 1.00 0.00 O ATOM 615 CB VAL A 80 -12.608 -1.866 -6.635 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.642 -2.844 -6.098 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.905 -0.451 -6.161 1.00 0.00 C ATOM 0 H VAL A 80 -10.525 -0.781 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.106 -2.214 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.661 -1.880 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.638 -2.528 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.439 -3.840 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.591 -2.866 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.911 -0.167 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.834 -0.409 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.183 0.238 -6.599 1.00 0.00 H new ATOM 627 N TYR A 81 -10.440 -3.915 -7.844 1.00 0.00 N ATOM 628 CA TYR A 81 -10.169 -5.247 -8.370 1.00 0.00 C ATOM 629 C TYR A 81 -8.675 -5.444 -8.612 1.00 0.00 C ATOM 630 O TYR A 81 -8.011 -4.588 -9.197 1.00 0.00 O ATOM 631 CB TYR A 81 -10.941 -5.472 -9.671 1.00 0.00 C ATOM 632 CG TYR A 81 -11.036 -4.238 -10.540 1.00 0.00 C ATOM 633 CD1 TYR A 81 -11.913 -3.208 -10.223 1.00 0.00 C ATOM 634 CD2 TYR A 81 -10.250 -4.102 -11.677 1.00 0.00 C ATOM 635 CE1 TYR A 81 -12.004 -2.078 -11.014 1.00 0.00 C ATOM 636 CE2 TYR A 81 -10.333 -2.976 -12.473 1.00 0.00 C ATOM 637 CZ TYR A 81 -11.212 -1.967 -12.137 1.00 0.00 C ATOM 638 OH TYR A 81 -11.299 -0.844 -12.928 1.00 0.00 O ATOM 0 H TYR A 81 -10.202 -3.154 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.498 -5.976 -7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.458 -6.268 -10.237 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.947 -5.816 -9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.534 -3.292 -9.344 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.562 -4.890 -11.944 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.691 -1.287 -10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.714 -2.886 -13.353 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.674 -0.923 -13.678 1.00 0.00 H new ATOM 648 N TYR A 82 -8.154 -6.578 -8.157 1.00 0.00 N ATOM 649 CA TYR A 82 -6.739 -6.889 -8.321 1.00 0.00 C ATOM 650 C TYR A 82 -6.295 -6.663 -9.764 1.00 0.00 C ATOM 651 O TYR A 82 -7.016 -6.993 -10.706 1.00 0.00 O ATOM 652 CB TYR A 82 -6.462 -8.336 -7.912 1.00 0.00 C ATOM 653 CG TYR A 82 -5.082 -8.821 -8.295 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.948 -8.097 -7.945 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.911 -10.001 -9.008 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.685 -8.536 -8.293 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.652 -10.447 -9.360 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.542 -9.711 -9.000 1.00 0.00 C ATOM 659 OH TYR A 82 -1.286 -10.152 -9.349 1.00 0.00 O ATOM 0 H TYR A 82 -8.690 -7.297 -7.672 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.170 -6.221 -7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.584 -8.429 -6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.207 -8.984 -8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.056 -7.176 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.778 -10.580 -9.292 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.814 -7.962 -8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.537 -11.367 -9.914 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.361 -10.995 -9.843 1.00 0.00 H new ATOM 669 N SER A 83 -5.103 -6.098 -9.928 1.00 0.00 N ATOM 670 CA SER A 83 -4.563 -5.824 -11.254 1.00 0.00 C ATOM 671 C SER A 83 -3.085 -6.194 -11.326 1.00 0.00 C ATOM 672 O SER A 83 -2.327 -5.950 -10.387 1.00 0.00 O ATOM 673 CB SER A 83 -4.749 -4.348 -11.609 1.00 0.00 C ATOM 674 OG SER A 83 -3.998 -4.001 -12.760 1.00 0.00 O ATOM 0 H SER A 83 -4.493 -5.821 -9.159 1.00 0.00 H new ATOM 0 HA SER A 83 -5.108 -6.435 -11.974 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.805 -4.143 -11.785 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.440 -3.727 -10.768 1.00 0.00 H new ATOM 0 HG SER A 83 -4.607 -3.832 -13.509 1.00 0.00 H new ATOM 680 N ARG A 84 -2.682 -6.784 -12.446 1.00 0.00 N ATOM 681 CA ARG A 84 -1.295 -7.189 -12.641 1.00 0.00 C ATOM 682 C ARG A 84 -0.482 -6.060 -13.268 1.00 0.00 C ATOM 683 O ARG A 84 0.742 -6.021 -13.145 1.00 0.00 O ATOM 684 CB ARG A 84 -1.225 -8.435 -13.526 1.00 0.00 C ATOM 685 CG ARG A 84 -2.082 -9.587 -13.026 1.00 0.00 C ATOM 686 CD ARG A 84 -1.685 -10.901 -13.679 1.00 0.00 C ATOM 687 NE ARG A 84 -2.043 -12.052 -12.854 1.00 0.00 N ATOM 688 CZ ARG A 84 -2.135 -13.292 -13.323 1.00 0.00 C ATOM 689 NH1 ARG A 84 -1.896 -13.539 -14.603 1.00 0.00 N ATOM 690 NH2 ARG A 84 -2.465 -14.287 -12.510 1.00 0.00 N ATOM 0 H ARG A 84 -3.297 -6.992 -13.233 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.870 -7.421 -11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.539 -8.171 -14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.189 -8.766 -13.591 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.983 -9.673 -11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.131 -9.378 -13.234 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.173 -10.985 -14.650 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.610 -10.905 -13.861 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.233 -11.895 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.641 -12.776 -15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.967 -14.492 -14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.648 -14.101 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.535 -15.238 -12.871 1.00 0.00 H new ATOM 704 N SER A 85 -1.172 -5.144 -13.940 1.00 0.00 N ATOM 705 CA SER A 85 -0.514 -4.017 -14.591 1.00 0.00 C ATOM 706 C SER A 85 -0.671 -2.745 -13.763 1.00 0.00 C ATOM 707 O SER A 85 0.292 -2.010 -13.543 1.00 0.00 O ATOM 708 CB SER A 85 -1.089 -3.802 -15.992 1.00 0.00 C ATOM 709 OG SER A 85 -2.492 -3.606 -15.942 1.00 0.00 O ATOM 0 H SER A 85 -2.186 -5.160 -14.048 1.00 0.00 H new ATOM 0 HA SER A 85 0.548 -4.247 -14.674 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.614 -2.937 -16.455 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.861 -4.664 -16.619 1.00 0.00 H new ATOM 0 HG SER A 85 -2.836 -3.469 -16.849 1.00 0.00 H new ATOM 715 N LYS A 86 -1.892 -2.492 -13.306 1.00 0.00 N ATOM 716 CA LYS A 86 -2.179 -1.310 -12.501 1.00 0.00 C ATOM 717 C LYS A 86 -1.500 -1.402 -11.138 1.00 0.00 C ATOM 718 O LYS A 86 -0.555 -0.666 -10.852 1.00 0.00 O ATOM 719 CB LYS A 86 -3.690 -1.145 -12.320 1.00 0.00 C ATOM 720 CG LYS A 86 -4.454 -1.065 -13.630 1.00 0.00 C ATOM 721 CD LYS A 86 -4.360 0.320 -14.246 1.00 0.00 C ATOM 722 CE LYS A 86 -5.317 0.475 -15.418 1.00 0.00 C ATOM 723 NZ LYS A 86 -4.824 1.470 -16.410 1.00 0.00 N ATOM 0 H LYS A 86 -2.700 -3.090 -13.479 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.785 -0.440 -13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.071 -1.983 -11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.882 -0.241 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.059 -1.803 -14.328 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.500 -1.318 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.585 1.072 -13.489 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.339 0.501 -14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.451 -0.490 -15.907 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.295 0.784 -15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.504 1.546 -17.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.720 2.397 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.902 1.163 -16.781 1.00 0.00 H new ATOM 737 N THR A 87 -1.986 -2.312 -10.300 1.00 0.00 N ATOM 738 CA THR A 87 -1.426 -2.501 -8.968 1.00 0.00 C ATOM 739 C THR A 87 0.033 -2.933 -9.041 1.00 0.00 C ATOM 740 O THR A 87 0.383 -3.855 -9.779 1.00 0.00 O ATOM 741 CB THR A 87 -2.221 -3.550 -8.168 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.627 -3.327 -8.328 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.859 -3.493 -6.691 1.00 0.00 C ATOM 0 H THR A 87 -2.767 -2.930 -10.521 1.00 0.00 H new ATOM 0 HA THR A 87 -1.492 -1.540 -8.458 1.00 0.00 H new ATOM 0 HB THR A 87 -1.964 -4.537 -8.551 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.784 -2.391 -8.573 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.433 -4.243 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.794 -3.692 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.090 -2.503 -6.298 1.00 0.00 H new ATOM 751 N THR A 88 0.884 -2.262 -8.271 1.00 0.00 N ATOM 752 CA THR A 88 2.307 -2.577 -8.249 1.00 0.00 C ATOM 753 C THR A 88 2.650 -3.492 -7.079 1.00 0.00 C ATOM 754 O THR A 88 3.659 -4.197 -7.104 1.00 0.00 O ATOM 755 CB THR A 88 3.163 -1.300 -8.155 1.00 0.00 C ATOM 756 OG1 THR A 88 2.763 -0.524 -7.020 1.00 0.00 O ATOM 757 CG2 THR A 88 3.030 -0.464 -9.419 1.00 0.00 C ATOM 0 H THR A 88 0.612 -1.497 -7.654 1.00 0.00 H new ATOM 0 HA THR A 88 2.532 -3.089 -9.185 1.00 0.00 H new ATOM 0 HB THR A 88 4.206 -1.597 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.207 -0.867 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.644 0.432 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.363 -1.047 -10.278 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.988 -0.178 -9.558 1.00 0.00 H new ATOM 765 N HIS A 89 1.803 -3.477 -6.054 1.00 0.00 N ATOM 766 CA HIS A 89 2.017 -4.308 -4.874 1.00 0.00 C ATOM 767 C HIS A 89 0.699 -4.897 -4.379 1.00 0.00 C ATOM 768 O HIS A 89 -0.377 -4.401 -4.713 1.00 0.00 O ATOM 769 CB HIS A 89 2.674 -3.491 -3.762 1.00 0.00 C ATOM 770 CG HIS A 89 3.993 -2.898 -4.153 1.00 0.00 C ATOM 771 ND1 HIS A 89 4.110 -1.686 -4.801 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.255 -3.356 -3.983 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.387 -1.425 -5.014 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.103 -2.423 -4.527 1.00 0.00 N ATOM 0 H HIS A 89 0.963 -2.899 -6.017 1.00 0.00 H new ATOM 0 HA HIS A 89 2.680 -5.128 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.999 -2.689 -3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.816 -4.129 -2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.542 -4.283 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.779 -0.546 -5.503 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.121 -2.490 -4.551 1.00 0.00 H new ATOM 782 N ILE A 90 0.793 -5.955 -3.582 1.00 0.00 N ATOM 783 CA ILE A 90 -0.392 -6.610 -3.040 1.00 0.00 C ATOM 784 C ILE A 90 -0.394 -6.570 -1.516 1.00 0.00 C ATOM 785 O ILE A 90 0.399 -7.250 -0.866 1.00 0.00 O ATOM 786 CB ILE A 90 -0.486 -8.076 -3.504 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.728 -8.142 -5.013 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.594 -8.799 -2.752 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.653 -9.544 -5.577 1.00 0.00 C ATOM 0 H ILE A 90 1.677 -6.377 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.256 -6.062 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 90 0.459 -8.572 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.709 -7.722 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.007 -7.516 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.648 -9.834 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.382 -8.778 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.546 -8.304 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.835 -9.514 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.337 -9.960 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.407 -10.169 -5.099 1.00 0.00 H new ATOM 801 N ILE A 91 -1.293 -5.769 -0.953 1.00 0.00 N ATOM 802 CA ILE A 91 -1.401 -5.642 0.495 1.00 0.00 C ATOM 803 C ILE A 91 -2.238 -6.772 1.085 1.00 0.00 C ATOM 804 O ILE A 91 -3.447 -6.843 0.863 1.00 0.00 O ATOM 805 CB ILE A 91 -2.023 -4.292 0.898 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.179 -3.136 0.359 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.155 -4.199 2.410 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.259 -3.167 0.828 1.00 0.00 C ATOM 0 H ILE A 91 -1.956 -5.199 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.388 -5.698 0.893 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.020 -4.224 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.198 -3.160 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.632 -2.193 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.596 -3.239 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.794 -5.005 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.169 -4.286 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.797 -2.318 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.288 -3.111 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.729 -4.094 0.499 1.00 0.00 H new ATOM 820 N ALA A 92 -1.588 -7.651 1.840 1.00 0.00 N ATOM 821 CA ALA A 92 -2.274 -8.775 2.465 1.00 0.00 C ATOM 822 C ALA A 92 -1.487 -9.302 3.661 1.00 0.00 C ATOM 823 O ALA A 92 -0.291 -9.576 3.559 1.00 0.00 O ATOM 824 CB ALA A 92 -2.500 -9.886 1.451 1.00 0.00 C ATOM 0 H ALA A 92 -0.588 -7.607 2.034 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.241 -8.423 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.013 -10.719 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.109 -9.510 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.540 -10.226 1.064 1.00 0.00 H new ATOM 830 N THR A 93 -2.166 -9.440 4.796 1.00 0.00 N ATOM 831 CA THR A 93 -1.530 -9.931 6.012 1.00 0.00 C ATOM 832 C THR A 93 -1.169 -11.406 5.886 1.00 0.00 C ATOM 833 O THR A 93 0.000 -11.779 5.982 1.00 0.00 O ATOM 834 CB THR A 93 -2.442 -9.741 7.239 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.781 -10.137 6.921 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.434 -8.291 7.700 1.00 0.00 C ATOM 0 H THR A 93 -3.156 -9.218 4.898 1.00 0.00 H new ATOM 0 HA THR A 93 -0.620 -9.347 6.151 1.00 0.00 H new ATOM 0 HB THR A 93 -2.061 -10.366 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.335 -9.340 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.085 -8.181 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.419 -8.000 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.793 -7.651 6.894 1.00 0.00 H new ATOM 844 N ASN A 94 -2.179 -12.242 5.669 1.00 0.00 N ATOM 845 CA ASN A 94 -1.967 -13.678 5.530 1.00 0.00 C ATOM 846 C ASN A 94 -3.017 -14.297 4.611 1.00 0.00 C ATOM 847 O ASN A 94 -4.186 -13.910 4.637 1.00 0.00 O ATOM 848 CB ASN A 94 -2.009 -14.357 6.900 1.00 0.00 C ATOM 849 CG ASN A 94 -2.522 -15.782 6.825 1.00 0.00 C ATOM 850 OD1 ASN A 94 -3.689 -16.017 6.511 1.00 0.00 O ATOM 851 ND2 ASN A 94 -1.650 -16.741 7.114 1.00 0.00 N ATOM 0 H ASN A 94 -3.153 -11.950 5.586 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.984 -13.833 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.009 -14.356 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.647 -13.779 7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -1.938 -17.719 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.692 -16.500 7.369 1.00 0.00 H new ATOM 858 N LEU A 95 -2.592 -15.260 3.801 1.00 0.00 N ATOM 859 CA LEU A 95 -3.495 -15.934 2.874 1.00 0.00 C ATOM 860 C LEU A 95 -3.370 -17.449 2.996 1.00 0.00 C ATOM 861 O LEU A 95 -2.303 -17.986 3.295 1.00 0.00 O ATOM 862 CB LEU A 95 -3.200 -15.500 1.437 1.00 0.00 C ATOM 863 CG LEU A 95 -3.087 -13.993 1.201 1.00 0.00 C ATOM 864 CD1 LEU A 95 -2.432 -13.712 -0.142 1.00 0.00 C ATOM 865 CD2 LEU A 95 -4.458 -13.337 1.276 1.00 0.00 C ATOM 0 H LEU A 95 -1.628 -15.592 3.767 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.516 -15.651 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.267 -15.968 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.987 -15.891 0.792 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.460 -13.567 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.360 -12.635 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.433 -14.149 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.033 -14.151 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.358 -12.265 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.109 -13.766 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.890 -13.509 2.262 1.00 0.00 H new ATOM 877 N PRO A 96 -4.484 -18.156 2.758 1.00 0.00 N ATOM 878 CA PRO A 96 -4.524 -19.620 2.832 1.00 0.00 C ATOM 879 C PRO A 96 -3.745 -20.279 1.699 1.00 0.00 C ATOM 880 O PRO A 96 -3.440 -19.643 0.691 1.00 0.00 O ATOM 881 CB PRO A 96 -6.016 -19.941 2.713 1.00 0.00 C ATOM 882 CG PRO A 96 -6.595 -18.782 1.978 1.00 0.00 C ATOM 883 CD PRO A 96 -5.791 -17.582 2.397 1.00 0.00 C ATOM 0 HA PRO A 96 -4.065 -19.994 3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.178 -20.874 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.476 -20.057 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.536 -18.934 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.649 -18.651 2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.702 -16.856 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.250 -17.065 3.240 1.00 0.00 H new ATOM 891 N ASN A 97 -3.427 -21.558 1.871 1.00 0.00 N ATOM 892 CA ASN A 97 -2.684 -22.303 0.862 1.00 0.00 C ATOM 893 C ASN A 97 -3.187 -21.972 -0.540 1.00 0.00 C ATOM 894 O ASN A 97 -2.456 -21.414 -1.358 1.00 0.00 O ATOM 895 CB ASN A 97 -2.804 -23.807 1.117 1.00 0.00 C ATOM 896 CG ASN A 97 -1.721 -24.601 0.412 1.00 0.00 C ATOM 897 OD1 ASN A 97 -0.608 -24.115 0.215 1.00 0.00 O ATOM 898 ND2 ASN A 97 -2.044 -25.831 0.029 1.00 0.00 N ATOM 0 H ASN A 97 -3.672 -22.100 2.700 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.636 -22.012 0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.750 -23.996 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.781 -24.153 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.357 -26.413 -0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.979 -26.193 0.213 1.00 0.00 H new ATOM 905 N ALA A 98 -4.442 -22.320 -0.810 1.00 0.00 N ATOM 906 CA ALA A 98 -5.044 -22.057 -2.111 1.00 0.00 C ATOM 907 C ALA A 98 -4.668 -20.670 -2.620 1.00 0.00 C ATOM 908 O ALA A 98 -4.122 -20.525 -3.713 1.00 0.00 O ATOM 909 CB ALA A 98 -6.557 -22.200 -2.030 1.00 0.00 C ATOM 0 H ALA A 98 -5.060 -22.784 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.658 -22.791 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.994 -22.001 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.811 -23.213 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.951 -21.488 -1.305 1.00 0.00 H new ATOM 915 N LYS A 99 -4.965 -19.651 -1.820 1.00 0.00 N ATOM 916 CA LYS A 99 -4.659 -18.274 -2.188 1.00 0.00 C ATOM 917 C LYS A 99 -3.183 -18.121 -2.544 1.00 0.00 C ATOM 918 O LYS A 99 -2.840 -17.533 -3.570 1.00 0.00 O ATOM 919 CB LYS A 99 -5.019 -17.325 -1.043 1.00 0.00 C ATOM 920 CG LYS A 99 -6.458 -16.842 -1.082 1.00 0.00 C ATOM 921 CD LYS A 99 -6.627 -15.671 -2.036 1.00 0.00 C ATOM 922 CE LYS A 99 -6.704 -16.136 -3.482 1.00 0.00 C ATOM 923 NZ LYS A 99 -7.537 -15.225 -4.314 1.00 0.00 N ATOM 0 H LYS A 99 -5.418 -19.754 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.255 -18.018 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.840 -17.830 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.354 -16.462 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.109 -17.660 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.770 -16.545 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.533 -15.121 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.791 -14.981 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.699 -16.191 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.120 -17.143 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.564 -15.576 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.503 -15.191 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.126 -14.270 -4.301 1.00 0.00 H new ATOM 937 N ILE A 100 -2.316 -18.656 -1.692 1.00 0.00 N ATOM 938 CA ILE A 100 -0.878 -18.581 -1.918 1.00 0.00 C ATOM 939 C ILE A 100 -0.514 -19.085 -3.310 1.00 0.00 C ATOM 940 O ILE A 100 0.116 -18.376 -4.095 1.00 0.00 O ATOM 941 CB ILE A 100 -0.099 -19.397 -0.869 1.00 0.00 C ATOM 942 CG1 ILE A 100 -0.417 -18.892 0.540 1.00 0.00 C ATOM 943 CG2 ILE A 100 1.396 -19.319 -1.141 1.00 0.00 C ATOM 944 CD1 ILE A 100 -0.102 -19.895 1.627 1.00 0.00 C ATOM 0 H ILE A 100 -2.584 -19.146 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.599 -17.531 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.407 -20.440 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.147 -17.978 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.474 -18.630 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.933 -19.900 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.607 -19.721 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.720 -18.279 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.352 -19.469 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.686 -20.801 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.960 -20.139 1.601 1.00 0.00 H new ATOM 956 N LYS A 101 -0.915 -20.316 -3.612 1.00 0.00 N ATOM 957 CA LYS A 101 -0.635 -20.916 -4.910 1.00 0.00 C ATOM 958 C LYS A 101 -1.154 -20.034 -6.041 1.00 0.00 C ATOM 959 O LYS A 101 -0.725 -20.162 -7.187 1.00 0.00 O ATOM 960 CB LYS A 101 -1.270 -22.305 -5.001 1.00 0.00 C ATOM 961 CG LYS A 101 -0.944 -23.041 -6.289 1.00 0.00 C ATOM 962 CD LYS A 101 -1.513 -24.450 -6.287 1.00 0.00 C ATOM 963 CE LYS A 101 -1.106 -25.217 -7.535 1.00 0.00 C ATOM 964 NZ LYS A 101 -1.255 -26.688 -7.355 1.00 0.00 N ATOM 0 H LYS A 101 -1.436 -20.918 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 101 0.446 -21.010 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.934 -22.905 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.352 -22.207 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.346 -22.487 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.137 -23.085 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.165 -24.983 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.600 -24.404 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.716 -24.890 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.070 -24.984 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.968 -27.175 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.653 -27.004 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.248 -26.913 -7.144 1.00 0.00 H new ATOM 978 N GLU A 102 -2.078 -19.138 -5.710 1.00 0.00 N ATOM 979 CA GLU A 102 -2.655 -18.234 -6.699 1.00 0.00 C ATOM 980 C GLU A 102 -1.712 -17.068 -6.985 1.00 0.00 C ATOM 981 O GLU A 102 -1.657 -16.561 -8.106 1.00 0.00 O ATOM 982 CB GLU A 102 -4.005 -17.705 -6.213 1.00 0.00 C ATOM 983 CG GLU A 102 -4.972 -17.378 -7.339 1.00 0.00 C ATOM 984 CD GLU A 102 -4.414 -16.353 -8.307 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.395 -15.155 -7.956 1.00 0.00 O ATOM 986 OE2 GLU A 102 -3.998 -16.749 -9.416 1.00 0.00 O ATOM 0 H GLU A 102 -2.443 -19.018 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.804 -18.794 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.461 -18.446 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.841 -16.809 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.214 -18.292 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.904 -17.003 -6.915 1.00 0.00 H new ATOM 993 N LEU A 103 -0.973 -16.649 -5.964 1.00 0.00 N ATOM 994 CA LEU A 103 -0.033 -15.542 -6.104 1.00 0.00 C ATOM 995 C LEU A 103 1.408 -16.042 -6.051 1.00 0.00 C ATOM 996 O LEU A 103 2.196 -15.608 -5.211 1.00 0.00 O ATOM 997 CB LEU A 103 -0.266 -14.506 -5.004 1.00 0.00 C ATOM 998 CG LEU A 103 -1.713 -14.054 -4.803 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.869 -13.337 -3.471 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.156 -13.157 -5.950 1.00 0.00 C ATOM 0 H LEU A 103 -1.006 -17.059 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.201 -15.075 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.099 -14.917 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.340 -13.628 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.351 -14.938 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.905 -13.023 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.594 -14.012 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.220 -12.462 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.188 -12.845 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.514 -12.278 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.084 -13.705 -6.889 1.00 0.00 H new ATOM 1012 N LYS A 104 1.745 -16.956 -6.954 1.00 0.00 N ATOM 1013 CA LYS A 104 3.092 -17.513 -7.013 1.00 0.00 C ATOM 1014 C LYS A 104 4.006 -16.637 -7.864 1.00 0.00 C ATOM 1015 O LYS A 104 4.136 -16.846 -9.069 1.00 0.00 O ATOM 1016 CB LYS A 104 3.054 -18.933 -7.583 1.00 0.00 C ATOM 1017 CG LYS A 104 4.256 -19.776 -7.195 1.00 0.00 C ATOM 1018 CD LYS A 104 4.584 -20.805 -8.264 1.00 0.00 C ATOM 1019 CE LYS A 104 3.596 -21.961 -8.246 1.00 0.00 C ATOM 1020 NZ LYS A 104 2.313 -21.605 -8.913 1.00 0.00 N ATOM 0 H LYS A 104 1.104 -17.327 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 104 3.490 -17.545 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.146 -19.429 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.995 -18.878 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.119 -19.129 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.057 -20.282 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.571 -20.329 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.593 -21.185 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.037 -22.824 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.400 -22.255 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.943 -22.435 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.623 -21.299 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.476 -20.832 -9.589 1.00 0.00 H new ATOM 1034 N GLY A 105 4.638 -15.656 -7.227 1.00 0.00 N ATOM 1035 CA GLY A 105 5.533 -14.764 -7.941 1.00 0.00 C ATOM 1036 C GLY A 105 5.312 -13.309 -7.580 1.00 0.00 C ATOM 1037 O GLY A 105 6.268 -12.557 -7.393 1.00 0.00 O ATOM 0 H GLY A 105 4.546 -15.463 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.565 -15.037 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.391 -14.894 -9.014 1.00 0.00 H new ATOM 1041 N GLU A 106 4.047 -12.910 -7.484 1.00 0.00 N ATOM 1042 CA GLU A 106 3.704 -11.534 -7.145 1.00 0.00 C ATOM 1043 C GLU A 106 4.448 -11.080 -5.893 1.00 0.00 C ATOM 1044 O GLU A 106 5.113 -11.876 -5.229 1.00 0.00 O ATOM 1045 CB GLU A 106 2.195 -11.398 -6.933 1.00 0.00 C ATOM 1046 CG GLU A 106 1.403 -11.322 -8.227 1.00 0.00 C ATOM 1047 CD GLU A 106 1.687 -10.055 -9.011 1.00 0.00 C ATOM 1048 OE1 GLU A 106 1.435 -8.956 -8.476 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.163 -10.164 -10.161 1.00 0.00 O ATOM 0 H GLU A 106 3.244 -13.520 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 106 4.005 -10.897 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.841 -12.248 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.999 -10.502 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.640 -12.188 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.338 -11.374 -8.000 1.00 0.00 H new ATOM 1056 N LYS A 107 4.332 -9.795 -5.575 1.00 0.00 N ATOM 1057 CA LYS A 107 4.991 -9.234 -4.402 1.00 0.00 C ATOM 1058 C LYS A 107 3.977 -8.914 -3.309 1.00 0.00 C ATOM 1059 O LYS A 107 3.348 -7.856 -3.321 1.00 0.00 O ATOM 1060 CB LYS A 107 5.762 -7.968 -4.783 1.00 0.00 C ATOM 1061 CG LYS A 107 6.946 -8.229 -5.699 1.00 0.00 C ATOM 1062 CD LYS A 107 7.886 -7.036 -5.749 1.00 0.00 C ATOM 1063 CE LYS A 107 9.172 -7.371 -6.489 1.00 0.00 C ATOM 1064 NZ LYS A 107 8.994 -7.308 -7.966 1.00 0.00 N ATOM 0 H LYS A 107 3.787 -9.122 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 107 5.690 -9.977 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.081 -7.272 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.117 -7.481 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.490 -9.107 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.587 -8.453 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.389 -6.200 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.122 -6.714 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.956 -6.676 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.505 -8.370 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.893 -7.543 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.264 -7.989 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.701 -6.348 -8.240 1.00 0.00 H new ATOM 1078 N VAL A 108 3.824 -9.835 -2.363 1.00 0.00 N ATOM 1079 CA VAL A 108 2.888 -9.650 -1.260 1.00 0.00 C ATOM 1080 C VAL A 108 3.536 -8.884 -0.112 1.00 0.00 C ATOM 1081 O VAL A 108 4.519 -9.338 0.474 1.00 0.00 O ATOM 1082 CB VAL A 108 2.368 -11.001 -0.732 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.134 -10.797 0.133 1.00 0.00 C ATOM 1084 CG2 VAL A 108 2.070 -11.944 -1.888 1.00 0.00 C ATOM 0 H VAL A 108 4.336 -10.717 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 108 2.049 -9.074 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 108 3.143 -11.454 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.781 -11.762 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.385 -10.159 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.350 -10.323 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.704 -12.894 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.312 -11.500 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.981 -12.115 -2.462 1.00 0.00 H new ATOM 1094 N ILE A 109 2.978 -7.720 0.204 1.00 0.00 N ATOM 1095 CA ILE A 109 3.500 -6.892 1.284 1.00 0.00 C ATOM 1096 C ILE A 109 2.464 -6.708 2.387 1.00 0.00 C ATOM 1097 O ILE A 109 1.265 -6.634 2.120 1.00 0.00 O ATOM 1098 CB ILE A 109 3.937 -5.507 0.770 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.779 -5.653 -0.500 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.714 -4.764 1.845 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.050 -6.447 -0.294 1.00 0.00 C ATOM 0 H ILE A 109 2.165 -7.329 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 109 4.368 -7.412 1.688 1.00 0.00 H new ATOM 0 HB ILE A 109 3.046 -4.928 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.179 -6.137 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.036 -4.661 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.016 -3.787 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.084 -4.633 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.600 -5.338 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.596 -6.510 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.671 -5.953 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.800 -7.451 0.048 1.00 0.00 H new ATOM 1113 N ARG A 110 2.935 -6.634 3.628 1.00 0.00 N ATOM 1114 CA ARG A 110 2.049 -6.458 4.772 1.00 0.00 C ATOM 1115 C ARG A 110 1.513 -5.031 4.830 1.00 0.00 C ATOM 1116 O ARG A 110 2.143 -4.085 4.357 1.00 0.00 O ATOM 1117 CB ARG A 110 2.787 -6.791 6.071 1.00 0.00 C ATOM 1118 CG ARG A 110 2.987 -8.281 6.293 1.00 0.00 C ATOM 1119 CD ARG A 110 3.929 -8.549 7.456 1.00 0.00 C ATOM 1120 NE ARG A 110 4.218 -9.972 7.610 1.00 0.00 N ATOM 1121 CZ ARG A 110 3.414 -10.822 8.239 1.00 0.00 C ATOM 1122 NH1 ARG A 110 2.277 -10.395 8.770 1.00 0.00 N ATOM 1123 NH2 ARG A 110 3.747 -12.103 8.337 1.00 0.00 N ATOM 0 H ARG A 110 3.925 -6.693 3.866 1.00 0.00 H new ATOM 0 HA ARG A 110 1.206 -7.139 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.760 -6.300 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.229 -6.379 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.024 -8.754 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.388 -8.735 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.861 -8.005 7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.487 -8.167 8.376 1.00 0.00 H new ATOM 0 HE ARG A 110 5.085 -10.333 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.017 -9.411 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.662 -11.050 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.621 -12.435 7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.129 -12.755 8.820 1.00 0.00 H new ATOM 1137 N PRO A 111 0.321 -4.870 5.423 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.327 -3.562 5.557 1.00 0.00 C ATOM 1139 C PRO A 111 0.397 -2.656 6.547 1.00 0.00 C ATOM 1140 O PRO A 111 -0.039 -1.535 6.809 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.725 -3.910 6.075 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.558 -5.219 6.766 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.487 -5.954 6.009 1.00 0.00 C ATOM 0 HA PRO A 111 -0.331 -3.011 4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.095 -3.146 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.443 -3.982 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.271 -5.076 7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.491 -5.782 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.107 -6.588 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.910 -6.601 5.240 1.00 0.00 H new ATOM 1151 N GLU A 112 1.504 -3.148 7.093 1.00 0.00 N ATOM 1152 CA GLU A 112 2.288 -2.381 8.054 1.00 0.00 C ATOM 1153 C GLU A 112 3.341 -1.534 7.346 1.00 0.00 C ATOM 1154 O GLU A 112 3.812 -0.533 7.884 1.00 0.00 O ATOM 1155 CB GLU A 112 2.963 -3.318 9.059 1.00 0.00 C ATOM 1156 CG GLU A 112 2.116 -3.605 10.287 1.00 0.00 C ATOM 1157 CD GLU A 112 2.795 -4.554 11.255 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.572 -4.075 12.108 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.550 -5.775 11.161 1.00 0.00 O ATOM 0 H GLU A 112 1.878 -4.074 6.887 1.00 0.00 H new ATOM 0 HA GLU A 112 1.610 -1.715 8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.200 -4.259 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.909 -2.878 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.894 -2.668 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.163 -4.031 9.975 1.00 0.00 H new ATOM 1166 N TRP A 113 3.704 -1.944 6.136 1.00 0.00 N ATOM 1167 CA TRP A 113 4.702 -1.223 5.353 1.00 0.00 C ATOM 1168 C TRP A 113 4.275 0.223 5.126 1.00 0.00 C ATOM 1169 O TRP A 113 5.096 1.138 5.186 1.00 0.00 O ATOM 1170 CB TRP A 113 4.925 -1.919 4.009 1.00 0.00 C ATOM 1171 CG TRP A 113 5.708 -1.092 3.035 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.950 -0.557 3.225 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.299 -0.703 1.718 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.338 0.141 2.107 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.344 0.065 1.168 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.154 -0.932 0.951 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.274 0.606 -0.113 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.087 -0.394 -0.321 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.141 0.367 -0.843 1.00 0.00 C ATOM 0 H TRP A 113 3.323 -2.771 5.676 1.00 0.00 H new ATOM 0 HA TRP A 113 5.637 -1.222 5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.448 -2.861 4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.958 -2.165 3.571 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.541 -0.667 4.123 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.223 0.636 1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.337 -1.518 1.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.085 1.194 -0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.206 -0.563 -0.923 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.058 0.773 -1.840 1.00 0.00 H new ATOM 1190 N ILE A 114 2.987 0.421 4.865 1.00 0.00 N ATOM 1191 CA ILE A 114 2.453 1.757 4.630 1.00 0.00 C ATOM 1192 C ILE A 114 2.194 2.484 5.945 1.00 0.00 C ATOM 1193 O ILE A 114 2.806 3.514 6.229 1.00 0.00 O ATOM 1194 CB ILE A 114 1.145 1.705 3.819 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.340 0.878 2.547 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.679 3.112 3.475 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.042 0.449 1.899 1.00 0.00 C ATOM 0 H ILE A 114 2.295 -0.326 4.811 1.00 0.00 H new ATOM 0 HA ILE A 114 3.204 2.302 4.058 1.00 0.00 H new ATOM 0 HB ILE A 114 0.377 1.227 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.919 1.460 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.927 -0.008 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.247 3.059 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.505 3.672 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.444 3.614 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.258 -0.133 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.530 -0.160 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.538 1.331 1.628 1.00 0.00 H new ATOM 1209 N VAL A 115 1.283 1.940 6.746 1.00 0.00 N ATOM 1210 CA VAL A 115 0.944 2.535 8.034 1.00 0.00 C ATOM 1211 C VAL A 115 2.165 3.183 8.678 1.00 0.00 C ATOM 1212 O VAL A 115 2.130 4.353 9.059 1.00 0.00 O ATOM 1213 CB VAL A 115 0.363 1.487 9.001 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.164 2.088 10.384 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.945 0.930 8.459 1.00 0.00 C ATOM 0 H VAL A 115 0.766 1.088 6.526 1.00 0.00 H new ATOM 0 HA VAL A 115 0.190 3.298 7.842 1.00 0.00 H new ATOM 0 HB VAL A 115 1.073 0.665 9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.247 1.332 11.053 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.122 2.434 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.526 2.929 10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.342 0.191 9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.664 1.740 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.767 0.459 7.492 1.00 0.00 H new ATOM 1225 N GLU A 116 3.243 2.415 8.795 1.00 0.00 N ATOM 1226 CA GLU A 116 4.475 2.915 9.394 1.00 0.00 C ATOM 1227 C GLU A 116 5.027 4.095 8.598 1.00 0.00 C ATOM 1228 O GLU A 116 5.402 5.120 9.167 1.00 0.00 O ATOM 1229 CB GLU A 116 5.522 1.802 9.467 1.00 0.00 C ATOM 1230 CG GLU A 116 5.303 0.835 10.618 1.00 0.00 C ATOM 1231 CD GLU A 116 6.011 1.269 11.887 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.983 2.048 11.786 1.00 0.00 O ATOM 1233 OE2 GLU A 116 5.595 0.831 12.979 1.00 0.00 O ATOM 0 H GLU A 116 3.289 1.445 8.483 1.00 0.00 H new ATOM 0 HA GLU A 116 4.245 3.255 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.514 1.246 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.511 2.251 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.235 0.746 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.657 -0.154 10.329 1.00 0.00 H new ATOM 1240 N SER A 117 5.073 3.942 7.279 1.00 0.00 N ATOM 1241 CA SER A 117 5.582 4.992 6.404 1.00 0.00 C ATOM 1242 C SER A 117 4.818 6.295 6.618 1.00 0.00 C ATOM 1243 O SER A 117 5.393 7.381 6.556 1.00 0.00 O ATOM 1244 CB SER A 117 5.478 4.560 4.940 1.00 0.00 C ATOM 1245 OG SER A 117 6.207 3.368 4.706 1.00 0.00 O ATOM 0 H SER A 117 4.764 3.101 6.792 1.00 0.00 H new ATOM 0 HA SER A 117 6.630 5.161 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.431 4.407 4.676 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.857 5.354 4.296 1.00 0.00 H new ATOM 0 HG SER A 117 5.588 2.610 4.656 1.00 0.00 H new ATOM 1251 N ILE A 118 3.518 6.177 6.869 1.00 0.00 N ATOM 1252 CA ILE A 118 2.675 7.344 7.093 1.00 0.00 C ATOM 1253 C ILE A 118 3.047 8.050 8.393 1.00 0.00 C ATOM 1254 O ILE A 118 3.391 9.232 8.394 1.00 0.00 O ATOM 1255 CB ILE A 118 1.184 6.961 7.139 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.770 6.277 5.835 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.328 8.193 7.392 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.553 5.550 5.927 1.00 0.00 C ATOM 0 H ILE A 118 3.026 5.285 6.922 1.00 0.00 H new ATOM 0 HA ILE A 118 2.843 8.020 6.254 1.00 0.00 H new ATOM 0 HB ILE A 118 1.030 6.260 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.710 7.026 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.545 5.568 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.723 7.906 7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.609 8.642 8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.484 8.915 6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.783 5.089 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.491 4.778 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.340 6.258 6.187 1.00 0.00 H new ATOM 1270 N LYS A 119 2.978 7.317 9.499 1.00 0.00 N ATOM 1271 CA LYS A 119 3.310 7.870 10.806 1.00 0.00 C ATOM 1272 C LYS A 119 4.712 8.472 10.802 1.00 0.00 C ATOM 1273 O LYS A 119 4.925 9.575 11.303 1.00 0.00 O ATOM 1274 CB LYS A 119 3.213 6.786 11.881 1.00 0.00 C ATOM 1275 CG LYS A 119 1.792 6.519 12.350 1.00 0.00 C ATOM 1276 CD LYS A 119 1.079 5.538 11.435 1.00 0.00 C ATOM 1277 CE LYS A 119 -0.343 5.272 11.905 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.378 4.352 13.075 1.00 0.00 N ATOM 0 H LYS A 119 2.695 6.337 9.516 1.00 0.00 H new ATOM 0 HA LYS A 119 2.594 8.661 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.638 5.861 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.820 7.080 12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.811 6.123 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.237 7.456 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.060 5.934 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.634 4.600 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.820 6.215 12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.921 4.842 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.365 4.196 13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.054 3.443 12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.152 4.774 13.864 1.00 0.00 H new ATOM 1292 N ALA A 120 5.663 7.740 10.232 1.00 0.00 N ATOM 1293 CA ALA A 120 7.043 8.203 10.159 1.00 0.00 C ATOM 1294 C ALA A 120 7.158 9.452 9.292 1.00 0.00 C ATOM 1295 O ALA A 120 7.941 10.355 9.586 1.00 0.00 O ATOM 1296 CB ALA A 120 7.943 7.100 9.622 1.00 0.00 C ATOM 0 H ALA A 120 5.503 6.824 9.814 1.00 0.00 H new ATOM 0 HA ALA A 120 7.367 8.462 11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.971 7.460 9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.893 6.235 10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.611 6.813 8.624 1.00 0.00 H new ATOM 1302 N GLY A 121 6.373 9.497 8.220 1.00 0.00 N ATOM 1303 CA GLY A 121 6.403 10.640 7.326 1.00 0.00 C ATOM 1304 C GLY A 121 7.393 10.462 6.192 1.00 0.00 C ATOM 1305 O GLY A 121 7.971 11.435 5.706 1.00 0.00 O ATOM 0 H GLY A 121 5.717 8.762 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.407 10.801 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.661 11.534 7.893 1.00 0.00 H new ATOM 1309 N ARG A 122 7.591 9.218 5.770 1.00 0.00 N ATOM 1310 CA ARG A 122 8.520 8.916 4.688 1.00 0.00 C ATOM 1311 C ARG A 122 8.400 7.457 4.258 1.00 0.00 C ATOM 1312 O ARG A 122 8.123 6.579 5.076 1.00 0.00 O ATOM 1313 CB ARG A 122 9.956 9.214 5.123 1.00 0.00 C ATOM 1314 CG ARG A 122 10.426 8.365 6.294 1.00 0.00 C ATOM 1315 CD ARG A 122 11.908 8.568 6.570 1.00 0.00 C ATOM 1316 NE ARG A 122 12.152 9.732 7.418 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.328 10.004 7.972 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.362 9.199 7.768 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.472 11.082 8.731 1.00 0.00 N ATOM 0 H ARG A 122 7.120 8.402 6.161 1.00 0.00 H new ATOM 0 HA ARG A 122 8.266 9.549 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.624 9.053 4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.034 10.267 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.851 8.620 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.235 7.313 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.312 7.678 7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.439 8.689 5.626 1.00 0.00 H new ATOM 0 HE ARG A 122 11.377 10.371 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.255 8.369 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.264 9.410 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.679 11.703 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.376 11.290 9.156 1.00 0.00 H new ATOM 1333 N LEU A 123 8.609 7.206 2.970 1.00 0.00 N ATOM 1334 CA LEU A 123 8.523 5.854 2.431 1.00 0.00 C ATOM 1335 C LEU A 123 9.603 4.959 3.031 1.00 0.00 C ATOM 1336 O LEU A 123 10.786 5.303 3.021 1.00 0.00 O ATOM 1337 CB LEU A 123 8.656 5.882 0.907 1.00 0.00 C ATOM 1338 CG LEU A 123 8.042 4.698 0.158 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.553 4.596 0.450 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.286 4.830 -1.338 1.00 0.00 C ATOM 0 H LEU A 123 8.839 7.921 2.280 1.00 0.00 H new ATOM 0 HA LEU A 123 7.549 5.444 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.194 6.798 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.715 5.935 0.656 1.00 0.00 H new ATOM 0 HG LEU A 123 8.523 3.784 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.133 3.748 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.401 4.455 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.056 5.512 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.843 3.979 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.832 5.752 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.359 4.853 -1.531 1.00 0.00 H new ATOM 1352 N LEU A 124 9.190 3.808 3.549 1.00 0.00 N ATOM 1353 CA LEU A 124 10.122 2.861 4.152 1.00 0.00 C ATOM 1354 C LEU A 124 10.351 1.664 3.235 1.00 0.00 C ATOM 1355 O LEU A 124 9.743 1.561 2.169 1.00 0.00 O ATOM 1356 CB LEU A 124 9.594 2.387 5.507 1.00 0.00 C ATOM 1357 CG LEU A 124 9.322 3.480 6.541 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.605 2.903 7.752 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.620 4.154 6.959 1.00 0.00 C ATOM 0 H LEU A 124 8.215 3.507 3.564 1.00 0.00 H new ATOM 0 HA LEU A 124 11.075 3.370 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.670 1.834 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.314 1.686 5.930 1.00 0.00 H new ATOM 0 HG LEU A 124 8.676 4.231 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.420 3.696 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.656 2.468 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.225 2.131 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.407 4.929 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.290 3.414 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.094 4.603 6.086 1.00 0.00 H new ATOM 1371 N SER A 125 11.228 0.760 3.658 1.00 0.00 N ATOM 1372 CA SER A 125 11.538 -0.430 2.874 1.00 0.00 C ATOM 1373 C SER A 125 10.491 -1.517 3.099 1.00 0.00 C ATOM 1374 O SER A 125 9.829 -1.550 4.136 1.00 0.00 O ATOM 1375 CB SER A 125 12.927 -0.960 3.239 1.00 0.00 C ATOM 1376 OG SER A 125 13.347 -1.960 2.327 1.00 0.00 O ATOM 0 H SER A 125 11.737 0.829 4.539 1.00 0.00 H new ATOM 0 HA SER A 125 11.528 -0.153 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.644 -0.139 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.910 -1.369 4.249 1.00 0.00 H new ATOM 0 HG SER A 125 14.237 -2.281 2.581 1.00 0.00 H new ATOM 1382 N TYR A 126 10.348 -2.403 2.120 1.00 0.00 N ATOM 1383 CA TYR A 126 9.381 -3.490 2.209 1.00 0.00 C ATOM 1384 C TYR A 126 10.082 -4.827 2.432 1.00 0.00 C ATOM 1385 O TYR A 126 9.470 -5.792 2.890 1.00 0.00 O ATOM 1386 CB TYR A 126 8.533 -3.552 0.937 1.00 0.00 C ATOM 1387 CG TYR A 126 9.264 -4.137 -0.250 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.513 -5.502 -0.332 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.706 -3.327 -1.288 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.181 -6.042 -1.414 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.373 -3.858 -2.374 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.609 -5.216 -2.433 1.00 0.00 C ATOM 1393 OH TYR A 126 11.274 -5.749 -3.513 1.00 0.00 O ATOM 0 H TYR A 126 10.889 -2.390 1.256 1.00 0.00 H new ATOM 0 HA TYR A 126 8.731 -3.295 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.641 -4.147 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.196 -2.546 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.179 -6.151 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.525 -2.263 -1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.367 -7.105 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.708 -3.214 -3.173 1.00 0.00 H new ATOM 0 HH TYR A 126 11.505 -5.033 -4.141 1.00 0.00 H new ATOM 1403 N ILE A 127 11.369 -4.874 2.104 1.00 0.00 N ATOM 1404 CA ILE A 127 12.154 -6.090 2.269 1.00 0.00 C ATOM 1405 C ILE A 127 11.697 -6.878 3.492 1.00 0.00 C ATOM 1406 O ILE A 127 11.305 -8.042 3.401 1.00 0.00 O ATOM 1407 CB ILE A 127 13.656 -5.777 2.406 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.326 -5.773 1.031 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.326 -6.786 3.326 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.361 -7.135 0.372 1.00 0.00 C ATOM 0 H ILE A 127 11.889 -4.084 1.723 1.00 0.00 H new ATOM 0 HA ILE A 127 11.997 -6.690 1.373 1.00 0.00 H new ATOM 0 HB ILE A 127 13.767 -4.786 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.797 -5.077 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.346 -5.402 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.387 -6.551 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.863 -6.743 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.209 -7.788 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.850 -7.057 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.915 -7.830 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.343 -7.500 0.237 1.00 0.00 H new ATOM 1422 N PRO A 128 11.747 -6.231 4.666 1.00 0.00 N ATOM 1423 CA PRO A 128 11.339 -6.851 5.930 1.00 0.00 C ATOM 1424 C PRO A 128 9.833 -7.076 6.006 1.00 0.00 C ATOM 1425 O PRO A 128 9.366 -7.992 6.683 1.00 0.00 O ATOM 1426 CB PRO A 128 11.781 -5.832 6.983 1.00 0.00 C ATOM 1427 CG PRO A 128 11.804 -4.528 6.263 1.00 0.00 C ATOM 1428 CD PRO A 128 12.204 -4.843 4.849 1.00 0.00 C ATOM 0 HA PRO A 128 11.781 -7.839 6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.089 -5.807 7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.763 -6.079 7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.826 -4.048 6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.512 -3.840 6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.730 -4.167 4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.281 -4.752 4.706 1.00 0.00 H new ATOM 1436 N TYR A 129 9.078 -6.235 5.308 1.00 0.00 N ATOM 1437 CA TYR A 129 7.624 -6.341 5.298 1.00 0.00 C ATOM 1438 C TYR A 129 7.151 -7.246 4.164 1.00 0.00 C ATOM 1439 O TYR A 129 5.953 -7.359 3.905 1.00 0.00 O ATOM 1440 CB TYR A 129 6.991 -4.956 5.158 1.00 0.00 C ATOM 1441 CG TYR A 129 7.110 -4.107 6.403 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.401 -4.424 7.555 1.00 0.00 C ATOM 1443 CD2 TYR A 129 7.933 -2.987 6.428 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.507 -3.651 8.695 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.046 -2.209 7.564 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.331 -2.544 8.695 1.00 0.00 C ATOM 1447 OH TYR A 129 7.440 -1.772 9.828 1.00 0.00 O ATOM 0 H TYR A 129 9.449 -5.472 4.742 1.00 0.00 H new ATOM 0 HA TYR A 129 7.311 -6.782 6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.462 -4.433 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.937 -5.071 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.756 -5.290 7.559 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.494 -2.720 5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.948 -3.912 9.582 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.691 -1.343 7.567 1.00 0.00 H new ATOM 0 HH TYR A 129 8.061 -1.032 9.661 1.00 0.00 H new ATOM 1457 N GLN A 130 8.102 -7.888 3.493 1.00 0.00 N ATOM 1458 CA GLN A 130 7.784 -8.782 2.386 1.00 0.00 C ATOM 1459 C GLN A 130 7.208 -10.099 2.898 1.00 0.00 C ATOM 1460 O GLN A 130 7.628 -10.609 3.938 1.00 0.00 O ATOM 1461 CB GLN A 130 9.032 -9.051 1.545 1.00 0.00 C ATOM 1462 CG GLN A 130 8.733 -9.303 0.076 1.00 0.00 C ATOM 1463 CD GLN A 130 9.941 -9.813 -0.687 1.00 0.00 C ATOM 1464 OE1 GLN A 130 9.818 -10.657 -1.575 1.00 0.00 O ATOM 1465 NE2 GLN A 130 11.117 -9.301 -0.343 1.00 0.00 N ATOM 0 H GLN A 130 9.098 -7.806 3.696 1.00 0.00 H new ATOM 0 HA GLN A 130 7.033 -8.295 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.707 -8.199 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.556 -9.915 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.923 -10.028 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.382 -8.379 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.172 -8.603 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.965 -9.605 -0.821 1.00 0.00 H new ATOM 1474 N LEU A 131 6.246 -10.644 2.163 1.00 0.00 N ATOM 1475 CA LEU A 131 5.612 -11.901 2.543 1.00 0.00 C ATOM 1476 C LEU A 131 5.939 -13.002 1.539 1.00 0.00 C ATOM 1477 O LEU A 131 6.409 -12.728 0.434 1.00 0.00 O ATOM 1478 CB LEU A 131 4.096 -11.721 2.643 1.00 0.00 C ATOM 1479 CG LEU A 131 3.576 -11.122 3.950 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.162 -10.592 3.769 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.621 -12.156 5.066 1.00 0.00 C ATOM 0 H LEU A 131 5.888 -10.235 1.300 1.00 0.00 H new ATOM 0 HA LEU A 131 6.002 -12.195 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.771 -11.084 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.625 -12.693 2.499 1.00 0.00 H new ATOM 0 HG LEU A 131 4.222 -10.289 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.809 -10.170 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.159 -9.819 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.504 -11.407 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.247 -11.712 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.999 -13.010 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.649 -12.488 5.213 1.00 0.00 H new ATOM 1493 N TYR A 132 5.687 -14.246 1.929 1.00 0.00 N ATOM 1494 CA TYR A 132 5.955 -15.388 1.063 1.00 0.00 C ATOM 1495 C TYR A 132 7.193 -15.143 0.206 1.00 0.00 C ATOM 1496 O TYR A 132 7.183 -15.376 -1.003 1.00 0.00 O ATOM 1497 CB TYR A 132 4.748 -15.670 0.167 1.00 0.00 C ATOM 1498 CG TYR A 132 3.452 -15.829 0.930 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.275 -16.877 1.825 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.405 -14.933 0.754 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.092 -17.027 2.523 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.220 -15.074 1.449 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.068 -16.123 2.332 1.00 0.00 C ATOM 1504 OH TYR A 132 -0.112 -16.268 3.025 1.00 0.00 O ATOM 0 H TYR A 132 5.297 -14.490 2.840 1.00 0.00 H new ATOM 0 HA TYR A 132 6.140 -16.256 1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.640 -14.856 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.936 -16.578 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.075 -17.586 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.520 -14.112 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.970 -17.848 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.417 -14.367 1.302 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.557 -17.095 2.744 1.00 0.00 H new