USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 915 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 25 HIS :FLIP no HD1:sc= -6.31! C(o=-6.9!,f=-6!) USER MOD Set 1.2: A 114 SER OG : rot 45:sc= 0.347 USER MOD Set 2.1: A 64 GLN : amide:sc= -1.63! C(o=-7.9!,f=-18!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 134:sc= -2.37! (180deg=-1.08) USER MOD Set 2.3: A 94 GLN : amide:sc= -3.92! C(o=-7.9!,f=-12!) USER MOD Set 3.1: A 48 ASN : amide:sc= -0.384 X(o=-0.71,f=-1.2!) USER MOD Set 3.2: A 61 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 19 THR OG1 : rot 30:sc= 0.416 USER MOD Single : A 20 THR OG1 : rot 75:sc= 0.552 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.184 K(o=-0.18,f=-3.1!) USER MOD Single : A 36 THR OG1 : rot 84:sc= 0.677 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= -0.816 (180deg=-0.879) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= 0.439 F(o=-0.79,f=0.44) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 42:sc= 0.955 USER MOD Single : A 54 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-1.5) USER MOD Single : A 56 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 63 CYS SG : rot -162:sc= 0.905 USER MOD Single : A 69 TYR OH : rot -141:sc= 0.593 USER MOD Single : A 71 CYS SG : rot -11:sc= -0.287 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0286 K(o=-0.029,f=-1.4!) USER MOD Single : A 87 ASN : amide:sc= -5.52! C(o=-5.5!,f=-11!) USER MOD Single : A 91 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.843) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 99:sc= 0.0868 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.011) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 164:sc= -0.973 (180deg=-1.62!) USER MOD Single : A 110 ASN : amide:sc= 0.0151 K(o=0.015,f=-1.6!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.046) USER MOD Single : A 122 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.08) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.590 7.604 6.627 1.00 0.00 N ATOM 94 CA ILE A 10 -2.434 7.090 5.272 1.00 0.00 C ATOM 95 C ILE A 10 -3.592 7.526 4.382 1.00 0.00 C ATOM 96 O ILE A 10 -4.734 7.622 4.833 1.00 0.00 O ATOM 97 CB ILE A 10 -2.343 5.552 5.261 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.293 5.074 6.266 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.012 5.052 3.863 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.591 3.711 6.850 1.00 0.00 C ATOM 0 HA ILE A 10 -1.504 7.504 4.882 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.310 5.143 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.320 5.045 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.221 5.799 7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.951 3.964 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.792 5.367 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.055 5.467 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.805 3.437 7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.549 3.739 7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.634 2.973 6.049 1.00 0.00 H new ATOM 112 N LEU A 11 -3.291 7.786 3.114 1.00 0.00 N ATOM 113 CA LEU A 11 -4.308 8.210 2.158 1.00 0.00 C ATOM 114 C LEU A 11 -4.325 7.294 0.939 1.00 0.00 C ATOM 115 O LEU A 11 -5.357 7.127 0.289 1.00 0.00 O ATOM 116 CB LEU A 11 -4.055 9.654 1.722 1.00 0.00 C ATOM 117 CG LEU A 11 -4.332 10.731 2.771 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.717 12.057 2.351 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.829 10.883 2.997 1.00 0.00 C ATOM 0 H LEU A 11 -2.351 7.711 2.724 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.280 8.150 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.015 9.740 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.671 9.861 0.847 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.872 10.423 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.925 12.811 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.639 11.940 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.146 12.372 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.007 11.654 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.311 11.168 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.242 9.936 3.345 1.00 0.00 H new ATOM 131 N PHE A 12 -3.175 6.701 0.635 1.00 0.00 N ATOM 132 CA PHE A 12 -3.058 5.800 -0.505 1.00 0.00 C ATOM 133 C PHE A 12 -2.465 4.459 -0.081 1.00 0.00 C ATOM 134 O PHE A 12 -1.473 4.410 0.646 1.00 0.00 O ATOM 135 CB PHE A 12 -2.189 6.432 -1.595 1.00 0.00 C ATOM 136 CG PHE A 12 -2.392 5.823 -2.952 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.441 6.232 -3.761 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.534 4.840 -3.421 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.630 5.672 -5.010 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.718 4.277 -4.669 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.767 4.694 -5.465 1.00 0.00 C ATOM 0 H PHE A 12 -2.311 6.828 1.162 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.058 5.626 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.406 7.499 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.140 6.334 -1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.118 6.997 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.712 4.510 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.452 5.999 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.043 3.512 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.912 4.256 -6.442 1.00 0.00 H new ATOM 151 N ALA A 13 -3.081 3.375 -0.540 1.00 0.00 N ATOM 152 CA ALA A 13 -2.614 2.034 -0.210 1.00 0.00 C ATOM 153 C ALA A 13 -3.084 1.018 -1.246 1.00 0.00 C ATOM 154 O ALA A 13 -4.281 0.767 -1.384 1.00 0.00 O ATOM 155 CB ALA A 13 -3.093 1.635 1.178 1.00 0.00 C ATOM 0 H ALA A 13 -3.905 3.399 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.524 2.044 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.737 0.632 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.703 2.338 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.183 1.649 1.205 1.00 0.00 H new ATOM 161 N VAL A 14 -2.134 0.438 -1.972 1.00 0.00 N ATOM 162 CA VAL A 14 -2.452 -0.551 -2.996 1.00 0.00 C ATOM 163 C VAL A 14 -1.413 -1.667 -3.023 1.00 0.00 C ATOM 164 O VAL A 14 -0.284 -1.490 -2.563 1.00 0.00 O ATOM 165 CB VAL A 14 -2.533 0.093 -4.392 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.218 1.449 -4.316 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.145 0.221 -5.002 1.00 0.00 C ATOM 0 H VAL A 14 -1.138 0.635 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.425 -0.970 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.129 -0.553 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.266 1.889 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.228 1.325 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.652 2.106 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.222 0.678 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.522 0.844 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.696 -0.768 -5.094 1.00 0.00 H new ATOM 177 N VAL A 15 -1.802 -2.817 -3.564 1.00 0.00 N ATOM 178 CA VAL A 15 -0.904 -3.962 -3.653 1.00 0.00 C ATOM 179 C VAL A 15 -0.598 -4.309 -5.106 1.00 0.00 C ATOM 180 O VAL A 15 -1.501 -4.609 -5.886 1.00 0.00 O ATOM 181 CB VAL A 15 -1.501 -5.199 -2.956 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.538 -6.373 -3.034 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.848 -4.878 -1.510 1.00 0.00 C ATOM 0 H VAL A 15 -2.733 -2.980 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 15 0.020 -3.680 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.419 -5.479 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.977 -7.238 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.344 -6.616 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.399 -6.109 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.269 -5.763 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.947 -4.572 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.578 -4.069 -1.482 1.00 0.00 H new ATOM 193 N ALA A 16 0.681 -4.267 -5.462 1.00 0.00 N ATOM 194 CA ALA A 16 1.107 -4.580 -6.821 1.00 0.00 C ATOM 195 C ALA A 16 2.360 -5.449 -6.817 1.00 0.00 C ATOM 196 O ALA A 16 3.314 -5.176 -6.089 1.00 0.00 O ATOM 197 CB ALA A 16 1.353 -3.300 -7.605 1.00 0.00 C ATOM 0 H ALA A 16 1.441 -4.019 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 16 0.308 -5.142 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.670 -3.549 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.433 -2.716 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.132 -2.716 -7.114 1.00 0.00 H new ATOM 203 N ARG A 17 2.350 -6.498 -7.634 1.00 0.00 N ATOM 204 CA ARG A 17 3.485 -7.408 -7.723 1.00 0.00 C ATOM 205 C ARG A 17 4.089 -7.388 -9.124 1.00 0.00 C ATOM 206 O ARG A 17 3.369 -7.354 -10.121 1.00 0.00 O ATOM 207 CB ARG A 17 3.054 -8.831 -7.361 1.00 0.00 C ATOM 208 CG ARG A 17 1.980 -9.393 -8.277 1.00 0.00 C ATOM 209 CD ARG A 17 1.910 -10.910 -8.188 1.00 0.00 C ATOM 210 NE ARG A 17 1.383 -11.506 -9.413 1.00 0.00 N ATOM 211 CZ ARG A 17 2.034 -11.503 -10.570 1.00 0.00 C ATOM 212 NH1 ARG A 17 3.230 -10.938 -10.661 1.00 0.00 N ATOM 213 NH2 ARG A 17 1.489 -12.067 -11.641 1.00 0.00 N ATOM 0 H ARG A 17 1.568 -6.738 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 17 4.243 -7.074 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.926 -9.485 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.686 -8.840 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.013 -8.967 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.186 -9.097 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.905 -11.308 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.280 -11.195 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 17 0.465 -11.949 -9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.653 -10.504 -9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.727 -10.938 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.569 -12.503 -11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.990 -12.064 -12.530 1.00 0.00 H new ATOM 227 N GLY A 18 5.417 -7.410 -9.191 1.00 0.00 N ATOM 228 CA GLY A 18 6.095 -7.394 -10.474 1.00 0.00 C ATOM 229 C GLY A 18 5.359 -6.566 -11.509 1.00 0.00 C ATOM 230 O GLY A 18 4.865 -7.098 -12.504 1.00 0.00 O ATOM 0 H GLY A 18 6.035 -7.439 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.102 -6.997 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.200 -8.416 -10.839 1.00 0.00 H new ATOM 234 N THR A 19 5.282 -5.260 -11.274 1.00 0.00 N ATOM 235 CA THR A 19 4.598 -4.357 -12.191 1.00 0.00 C ATOM 236 C THR A 19 3.212 -4.883 -12.549 1.00 0.00 C ATOM 237 O THR A 19 2.825 -4.898 -13.718 1.00 0.00 O ATOM 238 CB THR A 19 5.407 -4.153 -13.486 1.00 0.00 C ATOM 239 OG1 THR A 19 5.754 -5.422 -14.052 1.00 0.00 O ATOM 240 CG2 THR A 19 6.670 -3.351 -13.214 1.00 0.00 C ATOM 0 H THR A 19 5.685 -4.804 -10.456 1.00 0.00 H new ATOM 0 HA THR A 19 4.500 -3.400 -11.678 1.00 0.00 H new ATOM 0 HB THR A 19 4.788 -3.598 -14.191 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.063 -6.080 -13.827 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.225 -3.220 -14.143 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.401 -2.375 -12.811 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.291 -3.883 -12.493 1.00 0.00 H new ATOM 248 N THR A 20 2.468 -5.313 -11.535 1.00 0.00 N ATOM 249 CA THR A 20 1.125 -5.840 -11.743 1.00 0.00 C ATOM 250 C THR A 20 0.244 -5.597 -10.523 1.00 0.00 C ATOM 251 O THR A 20 0.381 -6.272 -9.503 1.00 0.00 O ATOM 252 CB THR A 20 1.155 -7.350 -12.048 1.00 0.00 C ATOM 253 OG1 THR A 20 2.043 -7.612 -13.140 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.237 -7.861 -12.387 1.00 0.00 C ATOM 0 H THR A 20 2.773 -5.307 -10.562 1.00 0.00 H new ATOM 0 HA THR A 20 0.708 -5.312 -12.600 1.00 0.00 H new ATOM 0 HB THR A 20 1.510 -7.871 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.971 -7.535 -12.833 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.191 -8.929 -12.599 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.904 -7.687 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.615 -7.334 -13.263 1.00 0.00 H new ATOM 262 N ILE A 21 -0.660 -4.630 -10.635 1.00 0.00 N ATOM 263 CA ILE A 21 -1.565 -4.300 -9.541 1.00 0.00 C ATOM 264 C ILE A 21 -2.747 -5.262 -9.495 1.00 0.00 C ATOM 265 O ILE A 21 -3.578 -5.285 -10.404 1.00 0.00 O ATOM 266 CB ILE A 21 -2.095 -2.859 -9.664 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.939 -1.886 -9.905 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.869 -2.471 -8.413 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.362 -0.603 -10.586 1.00 0.00 C ATOM 0 H ILE A 21 -0.785 -4.061 -11.472 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.991 -4.390 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.772 -2.808 -10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.473 -1.644 -8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.181 -2.378 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.237 -1.450 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.712 -3.149 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.213 -2.535 -7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.492 0.039 -10.725 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.801 -0.834 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.098 -0.088 -9.968 1.00 0.00 H new ATOM 281 N LEU A 22 -2.817 -6.055 -8.432 1.00 0.00 N ATOM 282 CA LEU A 22 -3.899 -7.019 -8.265 1.00 0.00 C ATOM 283 C LEU A 22 -5.135 -6.353 -7.671 1.00 0.00 C ATOM 284 O LEU A 22 -6.258 -6.606 -8.107 1.00 0.00 O ATOM 285 CB LEU A 22 -3.446 -8.173 -7.369 1.00 0.00 C ATOM 286 CG LEU A 22 -2.323 -9.051 -7.920 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.618 -9.788 -6.792 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.869 -10.036 -8.944 1.00 0.00 C ATOM 0 H LEU A 22 -2.137 -6.050 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.158 -7.411 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.121 -7.759 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.308 -8.807 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.596 -8.408 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.822 -10.408 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.192 -9.066 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.334 -10.420 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.055 -10.653 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.617 -10.673 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.326 -9.488 -9.768 1.00 0.00 H new ATOM 300 N ALA A 23 -4.921 -5.499 -6.676 1.00 0.00 N ATOM 301 CA ALA A 23 -6.017 -4.793 -6.025 1.00 0.00 C ATOM 302 C ALA A 23 -5.569 -3.424 -5.525 1.00 0.00 C ATOM 303 O ALA A 23 -4.619 -3.315 -4.749 1.00 0.00 O ATOM 304 CB ALA A 23 -6.570 -5.622 -4.875 1.00 0.00 C ATOM 0 H ALA A 23 -3.997 -5.279 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.806 -4.641 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.388 -5.082 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.938 -6.574 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.781 -5.804 -4.145 1.00 0.00 H new ATOM 310 N LYS A 24 -6.258 -2.381 -5.974 1.00 0.00 N ATOM 311 CA LYS A 24 -5.931 -1.018 -5.572 1.00 0.00 C ATOM 312 C LYS A 24 -7.125 -0.349 -4.898 1.00 0.00 C ATOM 313 O LYS A 24 -8.266 -0.508 -5.332 1.00 0.00 O ATOM 314 CB LYS A 24 -5.493 -0.197 -6.787 1.00 0.00 C ATOM 315 CG LYS A 24 -6.572 -0.056 -7.848 1.00 0.00 C ATOM 316 CD LYS A 24 -6.370 1.195 -8.685 1.00 0.00 C ATOM 317 CE LYS A 24 -7.215 1.162 -9.950 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.661 1.362 -9.656 1.00 0.00 N ATOM 0 H LYS A 24 -7.047 -2.453 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.110 -1.064 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.191 0.796 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.615 -0.664 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.564 -0.933 -8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.551 -0.021 -7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.630 2.074 -8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.317 1.290 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.873 1.937 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.076 0.206 -10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.203 1.333 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.994 0.608 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.797 2.285 -9.197 1.00 0.00 H new ATOM 332 N HIS A 25 -6.854 0.401 -3.834 1.00 0.00 N ATOM 333 CA HIS A 25 -7.906 1.096 -3.101 1.00 0.00 C ATOM 334 C HIS A 25 -7.345 2.310 -2.366 1.00 0.00 C ATOM 335 O HIS A 25 -6.629 2.171 -1.375 1.00 0.00 O ATOM 336 CB HIS A 25 -8.575 0.148 -2.106 1.00 0.00 C ATOM 337 CG HIS A 25 -9.665 0.791 -1.305 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.001 0.849 -1.513 1.00 0.00 N flip ATOM 339 CD2 HIS A 25 -9.431 1.481 -0.134 1.00 0.00 C flip ATOM 340 CE1 HIS A 25 -11.545 1.563 -0.475 1.00 0.00 C flip ATOM 341 NE2 HIS A 25 -10.577 1.933 0.344 1.00 0.00 N flip ATOM 0 H HIS A 25 -5.915 0.543 -3.461 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.649 1.440 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.988 -0.703 -2.649 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.819 -0.244 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.463 1.629 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.594 1.786 -0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.694 2.475 1.200 1.00 0.00 H new ATOM 350 N ALA A 26 -7.675 3.499 -2.859 1.00 0.00 N ATOM 351 CA ALA A 26 -7.205 4.736 -2.249 1.00 0.00 C ATOM 352 C ALA A 26 -8.339 5.748 -2.116 1.00 0.00 C ATOM 353 O ALA A 26 -9.401 5.586 -2.717 1.00 0.00 O ATOM 354 CB ALA A 26 -6.063 5.326 -3.062 1.00 0.00 C ATOM 0 H ALA A 26 -8.266 3.631 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.841 4.502 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.722 6.250 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.239 4.614 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.408 5.538 -4.074 1.00 0.00 H new ATOM 360 N TRP A 27 -8.107 6.789 -1.324 1.00 0.00 N ATOM 361 CA TRP A 27 -9.110 7.826 -1.112 1.00 0.00 C ATOM 362 C TRP A 27 -9.269 8.692 -2.357 1.00 0.00 C ATOM 363 O TRP A 27 -8.330 8.852 -3.137 1.00 0.00 O ATOM 364 CB TRP A 27 -8.727 8.698 0.085 1.00 0.00 C ATOM 365 CG TRP A 27 -9.009 8.050 1.406 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.343 6.995 1.961 1.00 0.00 C ATOM 367 CD2 TRP A 27 -10.035 8.413 2.337 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.892 6.681 3.181 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.931 7.537 3.435 1.00 0.00 C ATOM 370 CE3 TRP A 27 -11.029 9.395 2.351 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.785 7.614 4.532 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.876 9.470 3.440 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.749 8.584 4.519 1.00 0.00 C ATOM 0 H TRP A 27 -7.234 6.937 -0.818 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.063 7.338 -0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.665 8.938 0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.271 9.641 0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.507 6.483 1.508 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.577 5.932 3.798 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.133 10.083 1.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.690 6.932 5.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.649 10.224 3.460 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.426 8.669 5.356 1.00 0.00 H new ATOM 384 N CYS A 28 -10.462 9.248 -2.537 1.00 0.00 N ATOM 385 CA CYS A 28 -10.744 10.097 -3.689 1.00 0.00 C ATOM 386 C CYS A 28 -10.101 11.470 -3.522 1.00 0.00 C ATOM 387 O CYS A 28 -10.389 12.190 -2.566 1.00 0.00 O ATOM 388 CB CYS A 28 -12.254 10.248 -3.880 1.00 0.00 C ATOM 389 SG CYS A 28 -13.024 8.881 -4.778 1.00 0.00 S ATOM 0 H CYS A 28 -11.249 9.126 -1.900 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.319 9.621 -4.573 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.726 10.338 -2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.451 11.177 -4.415 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.301 9.098 -4.887 1.00 0.00 H new ATOM 395 N GLY A 29 -9.226 11.826 -4.458 1.00 0.00 N ATOM 396 CA GLY A 29 -8.554 13.111 -4.395 1.00 0.00 C ATOM 397 C GLY A 29 -7.088 13.017 -4.769 1.00 0.00 C ATOM 398 O GLY A 29 -6.259 12.607 -3.958 1.00 0.00 O ATOM 0 H GLY A 29 -8.971 11.248 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.053 13.812 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.643 13.515 -3.387 1.00 0.00 H new ATOM 402 N GLY A 30 -6.767 13.396 -6.002 1.00 0.00 N ATOM 403 CA GLY A 30 -5.391 13.344 -6.460 1.00 0.00 C ATOM 404 C GLY A 30 -5.045 12.015 -7.102 1.00 0.00 C ATOM 405 O GLY A 30 -5.611 10.981 -6.750 1.00 0.00 O ATOM 0 H GLY A 30 -7.436 13.738 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.219 14.146 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.723 13.522 -5.617 1.00 0.00 H new ATOM 409 N ASN A 31 -4.112 12.042 -8.049 1.00 0.00 N ATOM 410 CA ASN A 31 -3.692 10.830 -8.743 1.00 0.00 C ATOM 411 C ASN A 31 -2.368 10.316 -8.187 1.00 0.00 C ATOM 412 O ASN A 31 -1.308 10.881 -8.455 1.00 0.00 O ATOM 413 CB ASN A 31 -3.558 11.098 -10.243 1.00 0.00 C ATOM 414 CG ASN A 31 -3.426 9.820 -11.049 1.00 0.00 C ATOM 415 OD1 ASN A 31 -2.495 9.040 -10.848 1.00 0.00 O ATOM 416 ND2 ASN A 31 -4.360 9.600 -11.967 1.00 0.00 N ATOM 0 H ASN A 31 -3.633 12.890 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.454 10.067 -8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.429 11.654 -10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.686 11.728 -10.420 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.324 8.757 -12.540 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.114 10.274 -12.099 1.00 0.00 H new ATOM 423 N PHE A 32 -2.437 9.239 -7.411 1.00 0.00 N ATOM 424 CA PHE A 32 -1.244 8.648 -6.816 1.00 0.00 C ATOM 425 C PHE A 32 -0.816 7.400 -7.582 1.00 0.00 C ATOM 426 O PHE A 32 0.340 6.980 -7.512 1.00 0.00 O ATOM 427 CB PHE A 32 -1.500 8.297 -5.349 1.00 0.00 C ATOM 428 CG PHE A 32 -1.194 9.422 -4.402 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.002 10.115 -4.491 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.104 9.786 -3.422 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.286 11.150 -3.620 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.826 10.821 -2.548 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.630 11.504 -2.648 1.00 0.00 C ATOM 0 H PHE A 32 -3.306 8.758 -7.180 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.439 9.381 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.544 8.006 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.895 7.431 -5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.721 9.843 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.041 9.255 -3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.223 11.681 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.543 11.095 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.411 12.314 -1.968 1.00 0.00 H new ATOM 443 N LEU A 33 -1.755 6.811 -8.313 1.00 0.00 N ATOM 444 CA LEU A 33 -1.477 5.609 -9.093 1.00 0.00 C ATOM 445 C LEU A 33 -0.358 5.860 -10.099 1.00 0.00 C ATOM 446 O LEU A 33 0.313 4.928 -10.540 1.00 0.00 O ATOM 447 CB LEU A 33 -2.740 5.147 -9.822 1.00 0.00 C ATOM 448 CG LEU A 33 -2.698 3.736 -10.409 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.612 2.699 -9.300 1.00 0.00 C ATOM 450 CD2 LEU A 33 -3.918 3.485 -11.283 1.00 0.00 C ATOM 0 H LEU A 33 -2.716 7.146 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.155 4.826 -8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.578 5.205 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.946 5.849 -10.630 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.807 3.648 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.583 1.701 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.707 2.866 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.484 2.786 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.871 2.476 -11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.823 3.592 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.936 4.207 -12.099 1.00 0.00 H new ATOM 462 N GLU A 34 -0.162 7.126 -10.455 1.00 0.00 N ATOM 463 CA GLU A 34 0.877 7.498 -11.408 1.00 0.00 C ATOM 464 C GLU A 34 2.264 7.295 -10.807 1.00 0.00 C ATOM 465 O GLU A 34 3.028 6.439 -11.254 1.00 0.00 O ATOM 466 CB GLU A 34 0.705 8.956 -11.840 1.00 0.00 C ATOM 467 CG GLU A 34 1.526 9.329 -13.063 1.00 0.00 C ATOM 468 CD GLU A 34 1.626 10.829 -13.263 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.659 11.539 -12.913 1.00 0.00 O ATOM 470 OE2 GLU A 34 2.668 11.293 -13.769 1.00 0.00 O ATOM 0 H GLU A 34 -0.708 7.910 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 34 0.781 6.854 -12.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.348 9.142 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.986 9.607 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.528 8.912 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.078 8.877 -13.948 1.00 0.00 H new ATOM 477 N VAL A 35 2.585 8.089 -9.790 1.00 0.00 N ATOM 478 CA VAL A 35 3.879 7.997 -9.127 1.00 0.00 C ATOM 479 C VAL A 35 4.105 6.603 -8.553 1.00 0.00 C ATOM 480 O VAL A 35 5.229 6.099 -8.537 1.00 0.00 O ATOM 481 CB VAL A 35 4.004 9.033 -7.993 1.00 0.00 C ATOM 482 CG1 VAL A 35 3.026 8.719 -6.872 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.432 9.079 -7.469 1.00 0.00 C ATOM 0 H VAL A 35 1.965 8.803 -9.408 1.00 0.00 H new ATOM 0 HA VAL A 35 4.637 8.203 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 35 3.756 10.016 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.129 9.461 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.008 8.742 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.239 7.728 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.502 9.816 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.710 8.098 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.108 9.356 -8.278 1.00 0.00 H new ATOM 493 N THR A 36 3.028 5.982 -8.081 1.00 0.00 N ATOM 494 CA THR A 36 3.108 4.645 -7.505 1.00 0.00 C ATOM 495 C THR A 36 3.555 3.624 -8.545 1.00 0.00 C ATOM 496 O THR A 36 4.504 2.873 -8.321 1.00 0.00 O ATOM 497 CB THR A 36 1.753 4.204 -6.919 1.00 0.00 C ATOM 498 OG1 THR A 36 1.426 5.010 -5.781 1.00 0.00 O ATOM 499 CG2 THR A 36 1.789 2.738 -6.515 1.00 0.00 C ATOM 0 H THR A 36 2.090 6.384 -8.086 1.00 0.00 H new ATOM 0 HA THR A 36 3.845 4.690 -6.703 1.00 0.00 H new ATOM 0 HB THR A 36 0.991 4.334 -7.687 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.998 5.839 -6.080 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.821 2.450 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.009 2.125 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.562 2.587 -5.762 1.00 0.00 H new ATOM 507 N GLU A 37 2.867 3.604 -9.682 1.00 0.00 N ATOM 508 CA GLU A 37 3.195 2.673 -10.756 1.00 0.00 C ATOM 509 C GLU A 37 4.655 2.818 -11.174 1.00 0.00 C ATOM 510 O GLU A 37 5.355 1.826 -11.376 1.00 0.00 O ATOM 511 CB GLU A 37 2.282 2.909 -11.961 1.00 0.00 C ATOM 512 CG GLU A 37 0.980 2.129 -11.900 1.00 0.00 C ATOM 513 CD GLU A 37 0.350 1.938 -13.266 1.00 0.00 C ATOM 514 OE1 GLU A 37 0.413 2.877 -14.086 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.207 0.848 -13.515 1.00 0.00 O ATOM 0 H GLU A 37 2.080 4.221 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 37 3.040 1.660 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.055 3.973 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.817 2.636 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.166 1.154 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.278 2.651 -11.250 1.00 0.00 H new ATOM 522 N GLN A 38 5.108 4.062 -11.301 1.00 0.00 N ATOM 523 CA GLN A 38 6.484 4.336 -11.696 1.00 0.00 C ATOM 524 C GLN A 38 7.468 3.660 -10.748 1.00 0.00 C ATOM 525 O GLN A 38 8.366 2.937 -11.181 1.00 0.00 O ATOM 526 CB GLN A 38 6.738 5.845 -11.724 1.00 0.00 C ATOM 527 CG GLN A 38 5.999 6.566 -12.839 1.00 0.00 C ATOM 528 CD GLN A 38 6.611 7.913 -13.169 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.540 8.851 -12.374 1.00 0.00 O ATOM 530 NE2 GLN A 38 7.217 8.017 -14.346 1.00 0.00 N ATOM 0 H GLN A 38 4.542 4.895 -11.136 1.00 0.00 H new ATOM 0 HA GLN A 38 6.636 3.930 -12.696 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.441 6.273 -10.767 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.808 6.023 -11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.000 5.942 -13.733 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.958 6.706 -12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.252 7.214 -14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.647 8.900 -14.622 1.00 0.00 H new ATOM 539 N ILE A 39 7.293 3.901 -9.452 1.00 0.00 N ATOM 540 CA ILE A 39 8.166 3.314 -8.443 1.00 0.00 C ATOM 541 C ILE A 39 8.192 1.794 -8.555 1.00 0.00 C ATOM 542 O ILE A 39 9.255 1.174 -8.505 1.00 0.00 O ATOM 543 CB ILE A 39 7.724 3.705 -7.020 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.761 5.226 -6.851 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.610 3.030 -5.985 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.162 5.795 -6.812 1.00 0.00 C ATOM 0 H ILE A 39 6.556 4.498 -9.077 1.00 0.00 H new ATOM 0 HA ILE A 39 9.167 3.706 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 39 6.699 3.366 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.212 5.688 -7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.243 5.494 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.285 3.317 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.537 1.948 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.644 3.341 -6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.112 6.877 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.708 5.361 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.677 5.558 -7.743 1.00 0.00 H new ATOM 558 N LEU A 40 7.015 1.197 -8.708 1.00 0.00 N ATOM 559 CA LEU A 40 6.901 -0.252 -8.830 1.00 0.00 C ATOM 560 C LEU A 40 7.800 -0.777 -9.944 1.00 0.00 C ATOM 561 O LEU A 40 8.509 -1.767 -9.769 1.00 0.00 O ATOM 562 CB LEU A 40 5.449 -0.649 -9.101 1.00 0.00 C ATOM 563 CG LEU A 40 4.447 -0.326 -7.992 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.023 -0.543 -8.480 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.725 -1.173 -6.759 1.00 0.00 C ATOM 0 H LEU A 40 6.126 1.695 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 40 7.223 -0.697 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.122 -0.152 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.416 -1.722 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 40 4.560 0.723 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.324 -0.308 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.828 0.107 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.896 -1.583 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.002 -0.930 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.640 -2.229 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.732 -0.968 -6.396 1.00 0.00 H new ATOM 577 N ALA A 41 7.767 -0.105 -11.091 1.00 0.00 N ATOM 578 CA ALA A 41 8.582 -0.501 -12.232 1.00 0.00 C ATOM 579 C ALA A 41 10.067 -0.429 -11.898 1.00 0.00 C ATOM 580 O ALA A 41 10.912 -0.880 -12.673 1.00 0.00 O ATOM 581 CB ALA A 41 8.266 0.376 -13.435 1.00 0.00 C ATOM 0 H ALA A 41 7.184 0.716 -11.254 1.00 0.00 H new ATOM 0 HA ALA A 41 8.342 -1.536 -12.477 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.882 0.069 -14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.213 0.270 -13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.477 1.417 -13.191 1.00 0.00 H new ATOM 587 N LYS A 42 10.381 0.141 -10.740 1.00 0.00 N ATOM 588 CA LYS A 42 11.766 0.272 -10.301 1.00 0.00 C ATOM 589 C LYS A 42 12.074 -0.707 -9.173 1.00 0.00 C ATOM 590 O LYS A 42 13.214 -1.146 -9.013 1.00 0.00 O ATOM 591 CB LYS A 42 12.042 1.704 -9.837 1.00 0.00 C ATOM 592 CG LYS A 42 12.144 2.703 -10.977 1.00 0.00 C ATOM 593 CD LYS A 42 12.128 4.134 -10.467 1.00 0.00 C ATOM 594 CE LYS A 42 11.534 5.086 -11.494 1.00 0.00 C ATOM 595 NZ LYS A 42 10.060 5.224 -11.334 1.00 0.00 N ATOM 0 H LYS A 42 9.695 0.520 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 42 12.413 0.039 -11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.247 2.017 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.971 1.720 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.062 2.525 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.315 2.553 -11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.550 4.186 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.144 4.446 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.003 6.065 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.758 4.724 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.705 5.944 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.602 4.312 -11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.842 5.512 -10.359 1.00 0.00 H new ATOM 609 N ILE A 43 11.052 -1.047 -8.394 1.00 0.00 N ATOM 610 CA ILE A 43 11.215 -1.976 -7.283 1.00 0.00 C ATOM 611 C ILE A 43 11.343 -3.412 -7.782 1.00 0.00 C ATOM 612 O ILE A 43 10.486 -3.924 -8.502 1.00 0.00 O ATOM 613 CB ILE A 43 10.033 -1.890 -6.300 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.838 -0.447 -5.828 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.263 -2.814 -5.113 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.460 -0.176 -5.267 1.00 0.00 C ATOM 0 H ILE A 43 10.103 -0.693 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 43 12.130 -1.691 -6.764 1.00 0.00 H new ATOM 0 HB ILE A 43 9.127 -2.210 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.583 -0.219 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.020 0.228 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.419 -2.742 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.358 -3.841 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.177 -2.521 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.394 0.866 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.710 -0.372 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.282 -0.826 -4.410 1.00 0.00 H new ATOM 628 N PRO A 44 12.438 -4.079 -7.389 1.00 0.00 N ATOM 629 CA PRO A 44 12.704 -5.466 -7.782 1.00 0.00 C ATOM 630 C PRO A 44 11.746 -6.450 -7.118 1.00 0.00 C ATOM 631 O PRO A 44 10.957 -6.074 -6.252 1.00 0.00 O ATOM 632 CB PRO A 44 14.136 -5.704 -7.298 1.00 0.00 C ATOM 633 CG PRO A 44 14.322 -4.740 -6.177 1.00 0.00 C ATOM 634 CD PRO A 44 13.501 -3.531 -6.530 1.00 0.00 C ATOM 0 HA PRO A 44 12.571 -5.619 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.275 -6.732 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.858 -5.528 -8.095 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.993 -5.172 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.373 -4.477 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.092 -3.050 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.094 -2.781 -7.054 1.00 0.00 H new ATOM 642 N SER A 45 11.822 -7.712 -7.530 1.00 0.00 N ATOM 643 CA SER A 45 10.960 -8.749 -6.977 1.00 0.00 C ATOM 644 C SER A 45 11.574 -9.352 -5.717 1.00 0.00 C ATOM 645 O SER A 45 10.873 -9.932 -4.888 1.00 0.00 O ATOM 646 CB SER A 45 10.717 -9.847 -8.014 1.00 0.00 C ATOM 647 OG SER A 45 11.931 -10.476 -8.385 1.00 0.00 O ATOM 0 H SER A 45 12.472 -8.040 -8.245 1.00 0.00 H new ATOM 0 HA SER A 45 10.007 -8.291 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.029 -10.589 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.241 -9.419 -8.896 1.00 0.00 H new ATOM 0 HG SER A 45 11.748 -11.175 -9.047 1.00 0.00 H new ATOM 653 N GLU A 46 12.889 -9.210 -5.581 1.00 0.00 N ATOM 654 CA GLU A 46 13.599 -9.742 -4.423 1.00 0.00 C ATOM 655 C GLU A 46 12.994 -9.214 -3.125 1.00 0.00 C ATOM 656 O GLU A 46 12.530 -8.076 -3.062 1.00 0.00 O ATOM 657 CB GLU A 46 15.082 -9.374 -4.493 1.00 0.00 C ATOM 658 CG GLU A 46 15.861 -10.181 -5.518 1.00 0.00 C ATOM 659 CD GLU A 46 17.297 -9.713 -5.661 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.913 -9.369 -4.630 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.803 -9.691 -6.802 1.00 0.00 O ATOM 0 H GLU A 46 13.484 -8.732 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 46 13.500 -10.827 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.174 -8.314 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.531 -9.520 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.852 -11.232 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.362 -10.111 -6.485 1.00 0.00 H new ATOM 668 N ASN A 47 13.002 -10.050 -2.092 1.00 0.00 N ATOM 669 CA ASN A 47 12.454 -9.669 -0.796 1.00 0.00 C ATOM 670 C ASN A 47 13.358 -8.657 -0.099 1.00 0.00 C ATOM 671 O ASN A 47 14.295 -9.028 0.607 1.00 0.00 O ATOM 672 CB ASN A 47 12.276 -10.904 0.089 1.00 0.00 C ATOM 673 CG ASN A 47 13.417 -11.891 -0.059 1.00 0.00 C ATOM 674 OD1 ASN A 47 13.136 -13.033 -0.677 1.00 0.00 O flip ATOM 675 ND2 ASN A 47 14.539 -11.630 0.376 1.00 0.00 N flip ATOM 0 H ASN A 47 13.382 -10.996 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 47 11.481 -9.206 -0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.201 -10.593 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.338 -11.397 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.710 -10.740 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.297 -12.304 0.268 1.00 0.00 H new ATOM 682 N ASN A 48 13.069 -7.375 -0.302 1.00 0.00 N ATOM 683 CA ASN A 48 13.856 -6.309 0.307 1.00 0.00 C ATOM 684 C ASN A 48 13.041 -5.023 0.411 1.00 0.00 C ATOM 685 O ASN A 48 12.335 -4.645 -0.524 1.00 0.00 O ATOM 686 CB ASN A 48 15.126 -6.056 -0.507 1.00 0.00 C ATOM 687 CG ASN A 48 14.835 -5.414 -1.849 1.00 0.00 C ATOM 688 OD1 ASN A 48 14.469 -6.093 -2.808 1.00 0.00 O ATOM 689 ND2 ASN A 48 14.997 -4.098 -1.923 1.00 0.00 N ATOM 0 H ASN A 48 12.296 -7.050 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 48 14.134 -6.625 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.797 -5.413 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.647 -7.000 -0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.816 -3.610 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.302 -3.575 -1.102 1.00 0.00 H new ATOM 696 N LYS A 49 13.143 -4.355 1.555 1.00 0.00 N ATOM 697 CA LYS A 49 12.418 -3.111 1.783 1.00 0.00 C ATOM 698 C LYS A 49 13.379 -1.930 1.873 1.00 0.00 C ATOM 699 O LYS A 49 14.570 -2.104 2.134 1.00 0.00 O ATOM 700 CB LYS A 49 11.590 -3.207 3.066 1.00 0.00 C ATOM 701 CG LYS A 49 12.419 -3.499 4.305 1.00 0.00 C ATOM 702 CD LYS A 49 11.623 -4.280 5.337 1.00 0.00 C ATOM 703 CE LYS A 49 12.428 -4.507 6.607 1.00 0.00 C ATOM 704 NZ LYS A 49 13.505 -5.516 6.408 1.00 0.00 N ATOM 0 H LYS A 49 13.722 -4.655 2.340 1.00 0.00 H new ATOM 0 HA LYS A 49 11.749 -2.949 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.052 -2.271 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.841 -3.990 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.307 -4.065 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.763 -2.562 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.707 -3.739 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.325 -5.241 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.869 -3.564 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.763 -4.838 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.031 -5.642 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.083 -6.423 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.155 -5.188 5.665 1.00 0.00 H new ATOM 718 N LEU A 50 12.855 -0.729 1.656 1.00 0.00 N ATOM 719 CA LEU A 50 13.666 0.482 1.714 1.00 0.00 C ATOM 720 C LEU A 50 12.786 1.724 1.813 1.00 0.00 C ATOM 721 O LEU A 50 11.744 1.813 1.162 1.00 0.00 O ATOM 722 CB LEU A 50 14.565 0.577 0.480 1.00 0.00 C ATOM 723 CG LEU A 50 15.193 1.945 0.211 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.495 1.792 -0.560 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.223 2.838 -0.549 1.00 0.00 C ATOM 0 H LEU A 50 11.872 -0.568 1.438 1.00 0.00 H new ATOM 0 HA LEU A 50 14.289 0.429 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.366 -0.155 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.980 0.290 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 50 15.414 2.416 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.928 2.776 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.194 1.190 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.298 1.300 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.687 3.807 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.969 2.372 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.317 2.975 0.041 1.00 0.00 H new ATOM 737 N THR A 51 13.212 2.682 2.630 1.00 0.00 N ATOM 738 CA THR A 51 12.463 3.919 2.813 1.00 0.00 C ATOM 739 C THR A 51 12.687 4.875 1.647 1.00 0.00 C ATOM 740 O THR A 51 13.773 5.432 1.488 1.00 0.00 O ATOM 741 CB THR A 51 12.858 4.625 4.124 1.00 0.00 C ATOM 742 OG1 THR A 51 12.696 3.731 5.231 1.00 0.00 O ATOM 743 CG2 THR A 51 12.012 5.870 4.344 1.00 0.00 C ATOM 0 H THR A 51 14.072 2.625 3.176 1.00 0.00 H new ATOM 0 HA THR A 51 11.409 3.647 2.858 1.00 0.00 H new ATOM 0 HB THR A 51 13.904 4.923 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.951 4.187 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.309 6.352 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.160 6.562 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.960 5.590 4.400 1.00 0.00 H new ATOM 751 N TYR A 52 11.652 5.061 0.835 1.00 0.00 N ATOM 752 CA TYR A 52 11.737 5.949 -0.318 1.00 0.00 C ATOM 753 C TYR A 52 11.037 7.276 -0.037 1.00 0.00 C ATOM 754 O TYR A 52 9.824 7.320 0.167 1.00 0.00 O ATOM 755 CB TYR A 52 11.115 5.283 -1.548 1.00 0.00 C ATOM 756 CG TYR A 52 11.733 5.728 -2.854 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.761 7.071 -3.210 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.288 4.805 -3.732 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.324 7.481 -4.403 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.854 5.207 -4.927 1.00 0.00 C ATOM 761 CZ TYR A 52 12.870 6.546 -5.258 1.00 0.00 C ATOM 762 OH TYR A 52 13.432 6.950 -6.447 1.00 0.00 O ATOM 0 H TYR A 52 10.745 4.609 0.954 1.00 0.00 H new ATOM 0 HA TYR A 52 12.791 6.149 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.218 4.202 -1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.047 5.501 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.336 7.806 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.277 3.756 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.337 8.529 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.281 4.477 -5.598 1.00 0.00 H new ATOM 0 HH TYR A 52 13.771 6.168 -6.931 1.00 0.00 H new ATOM 772 N SER A 53 11.813 8.355 -0.028 1.00 0.00 N ATOM 773 CA SER A 53 11.270 9.684 0.232 1.00 0.00 C ATOM 774 C SER A 53 11.085 10.459 -1.070 1.00 0.00 C ATOM 775 O SER A 53 12.046 10.973 -1.642 1.00 0.00 O ATOM 776 CB SER A 53 12.193 10.459 1.173 1.00 0.00 C ATOM 777 OG SER A 53 13.468 10.659 0.588 1.00 0.00 O ATOM 0 H SER A 53 12.819 8.336 -0.197 1.00 0.00 H new ATOM 0 HA SER A 53 10.296 9.566 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.745 11.423 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.301 9.914 2.111 1.00 0.00 H new ATOM 0 HG SER A 53 13.360 10.907 -0.354 1.00 0.00 H new ATOM 783 N HIS A 54 9.841 10.537 -1.532 1.00 0.00 N ATOM 784 CA HIS A 54 9.528 11.249 -2.766 1.00 0.00 C ATOM 785 C HIS A 54 8.656 12.469 -2.483 1.00 0.00 C ATOM 786 O HIS A 54 7.518 12.340 -2.035 1.00 0.00 O ATOM 787 CB HIS A 54 8.820 10.319 -3.751 1.00 0.00 C ATOM 788 CG HIS A 54 8.718 10.879 -5.137 1.00 0.00 C ATOM 789 ND1 HIS A 54 8.086 12.071 -5.422 1.00 0.00 N ATOM 790 CD2 HIS A 54 9.174 10.405 -6.319 1.00 0.00 C ATOM 791 CE1 HIS A 54 8.156 12.304 -6.720 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.812 11.308 -7.288 1.00 0.00 N ATOM 0 H HIS A 54 9.034 10.116 -1.071 1.00 0.00 H new ATOM 0 HA HIS A 54 10.465 11.588 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.355 9.370 -3.790 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.818 10.105 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.721 9.487 -6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.746 13.163 -7.231 1.00 0.00 H new ATOM 0 HE2 HIS A 54 9.016 11.224 -8.284 1.00 0.00 H new ATOM 801 N GLY A 55 9.200 13.654 -2.747 1.00 0.00 N ATOM 802 CA GLY A 55 8.458 14.879 -2.514 1.00 0.00 C ATOM 803 C GLY A 55 8.129 15.087 -1.049 1.00 0.00 C ATOM 804 O GLY A 55 8.903 14.706 -0.172 1.00 0.00 O ATOM 0 H GLY A 55 10.141 13.787 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.039 15.727 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.534 14.856 -3.091 1.00 0.00 H new ATOM 808 N ASN A 56 6.977 15.696 -0.783 1.00 0.00 N ATOM 809 CA ASN A 56 6.549 15.956 0.586 1.00 0.00 C ATOM 810 C ASN A 56 5.750 14.780 1.140 1.00 0.00 C ATOM 811 O ASN A 56 4.871 14.956 1.983 1.00 0.00 O ATOM 812 CB ASN A 56 5.707 17.232 0.645 1.00 0.00 C ATOM 813 CG ASN A 56 4.398 17.096 -0.109 1.00 0.00 C ATOM 814 OD1 ASN A 56 3.386 16.677 0.453 1.00 0.00 O ATOM 815 ND2 ASN A 56 4.412 17.451 -1.388 1.00 0.00 N ATOM 0 H ASN A 56 6.324 16.018 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 56 7.440 16.087 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.500 17.479 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.279 18.061 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.561 17.382 -1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.274 17.793 -1.813 1.00 0.00 H new ATOM 822 N TYR A 57 6.063 13.582 0.660 1.00 0.00 N ATOM 823 CA TYR A 57 5.373 12.377 1.104 1.00 0.00 C ATOM 824 C TYR A 57 6.348 11.212 1.244 1.00 0.00 C ATOM 825 O TYR A 57 7.377 11.163 0.569 1.00 0.00 O ATOM 826 CB TYR A 57 4.260 12.009 0.122 1.00 0.00 C ATOM 827 CG TYR A 57 2.986 12.797 0.329 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.803 14.032 -0.279 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.965 12.306 1.134 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.641 14.756 -0.093 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.799 13.022 1.325 1.00 0.00 C ATOM 832 CZ TYR A 57 0.642 14.246 0.710 1.00 0.00 C ATOM 833 OH TYR A 57 -0.517 14.963 0.899 1.00 0.00 O ATOM 0 H TYR A 57 6.790 13.419 -0.037 1.00 0.00 H new ATOM 0 HA TYR A 57 4.934 12.580 2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.616 12.171 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.039 10.946 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.583 14.434 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.085 11.348 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.516 15.715 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.015 12.625 1.953 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.118 14.463 1.490 1.00 0.00 H new ATOM 843 N LEU A 58 6.017 10.274 2.125 1.00 0.00 N ATOM 844 CA LEU A 58 6.861 9.107 2.355 1.00 0.00 C ATOM 845 C LEU A 58 6.329 7.893 1.602 1.00 0.00 C ATOM 846 O LEU A 58 5.123 7.643 1.578 1.00 0.00 O ATOM 847 CB LEU A 58 6.942 8.798 3.851 1.00 0.00 C ATOM 848 CG LEU A 58 7.543 9.895 4.731 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.374 9.551 6.203 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.013 10.102 4.396 1.00 0.00 C ATOM 0 H LEU A 58 5.169 10.299 2.692 1.00 0.00 H new ATOM 0 HA LEU A 58 7.860 9.333 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.937 8.581 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.531 7.891 3.983 1.00 0.00 H new ATOM 0 HG LEU A 58 7.011 10.825 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.808 10.343 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.313 9.454 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.880 8.610 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.424 10.886 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.559 9.174 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.110 10.394 3.350 1.00 0.00 H new ATOM 862 N PHE A 59 7.235 7.139 0.989 1.00 0.00 N ATOM 863 CA PHE A 59 6.857 5.949 0.236 1.00 0.00 C ATOM 864 C PHE A 59 7.464 4.695 0.858 1.00 0.00 C ATOM 865 O PHE A 59 8.613 4.345 0.583 1.00 0.00 O ATOM 866 CB PHE A 59 7.307 6.077 -1.221 1.00 0.00 C ATOM 867 CG PHE A 59 6.427 6.976 -2.043 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.131 8.260 -1.612 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.898 6.538 -3.246 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.322 9.088 -2.366 1.00 0.00 C ATOM 871 CE2 PHE A 59 5.088 7.363 -4.004 1.00 0.00 C ATOM 872 CZ PHE A 59 4.801 8.640 -3.564 1.00 0.00 C ATOM 0 H PHE A 59 8.237 7.331 0.999 1.00 0.00 H new ATOM 0 HA PHE A 59 5.771 5.860 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.327 6.459 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.327 5.086 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.537 8.617 -0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.121 5.541 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.097 10.086 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.680 7.009 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.170 9.287 -4.156 1.00 0.00 H new ATOM 882 N HIS A 60 6.685 4.022 1.699 1.00 0.00 N ATOM 883 CA HIS A 60 7.145 2.807 2.362 1.00 0.00 C ATOM 884 C HIS A 60 6.624 1.566 1.643 1.00 0.00 C ATOM 885 O HIS A 60 5.415 1.355 1.546 1.00 0.00 O ATOM 886 CB HIS A 60 6.691 2.794 3.822 1.00 0.00 C ATOM 887 CG HIS A 60 6.761 4.136 4.483 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.942 4.704 4.910 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.786 5.024 4.787 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.691 5.883 5.451 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.390 6.101 5.388 1.00 0.00 N ATOM 0 H HIS A 60 5.732 4.298 1.937 1.00 0.00 H new ATOM 0 HA HIS A 60 8.234 2.794 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.666 2.427 3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.309 2.091 4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.730 4.907 4.593 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.425 6.554 5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.911 6.934 5.730 1.00 0.00 H new ATOM 900 N TYR A 61 7.543 0.749 1.142 1.00 0.00 N ATOM 901 CA TYR A 61 7.176 -0.469 0.430 1.00 0.00 C ATOM 902 C TYR A 61 7.802 -1.695 1.088 1.00 0.00 C ATOM 903 O TYR A 61 8.991 -1.703 1.406 1.00 0.00 O ATOM 904 CB TYR A 61 7.615 -0.382 -1.033 1.00 0.00 C ATOM 905 CG TYR A 61 9.016 -0.898 -1.276 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.253 -2.253 -1.476 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.101 -0.031 -1.307 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.531 -2.728 -1.698 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.382 -0.498 -1.529 1.00 0.00 C ATOM 910 CZ TYR A 61 11.592 -1.847 -1.724 1.00 0.00 C ATOM 911 OH TYR A 61 12.866 -2.317 -1.946 1.00 0.00 O ATOM 0 H TYR A 61 8.548 0.908 1.216 1.00 0.00 H new ATOM 0 HA TYR A 61 6.092 -0.571 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.916 -0.949 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.557 0.656 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.425 -2.946 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.940 1.026 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.699 -3.784 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.215 0.190 -1.550 1.00 0.00 H new ATOM 0 HH TYR A 61 13.498 -1.568 -1.934 1.00 0.00 H new ATOM 921 N ILE A 62 6.991 -2.729 1.289 1.00 0.00 N ATOM 922 CA ILE A 62 7.465 -3.961 1.908 1.00 0.00 C ATOM 923 C ILE A 62 7.309 -5.146 0.961 1.00 0.00 C ATOM 924 O ILE A 62 6.195 -5.505 0.577 1.00 0.00 O ATOM 925 CB ILE A 62 6.709 -4.260 3.216 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.694 -3.023 4.116 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.346 -5.439 3.937 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.724 -3.129 5.272 1.00 0.00 C ATOM 0 H ILE A 62 6.004 -2.738 1.032 1.00 0.00 H new ATOM 0 HA ILE A 62 8.521 -3.816 2.134 1.00 0.00 H new ATOM 0 HB ILE A 62 5.679 -4.521 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.697 -2.857 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.438 -2.150 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.801 -5.639 4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.310 -6.320 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.384 -5.204 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.767 -2.217 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.713 -3.264 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.992 -3.982 5.895 1.00 0.00 H new ATOM 940 N CYS A 63 8.432 -5.752 0.591 1.00 0.00 N ATOM 941 CA CYS A 63 8.421 -6.899 -0.310 1.00 0.00 C ATOM 942 C CYS A 63 8.279 -8.202 0.470 1.00 0.00 C ATOM 943 O CYS A 63 8.949 -8.405 1.482 1.00 0.00 O ATOM 944 CB CYS A 63 9.700 -6.928 -1.148 1.00 0.00 C ATOM 945 SG CYS A 63 9.498 -7.683 -2.778 1.00 0.00 S ATOM 0 H CYS A 63 9.361 -5.468 0.901 1.00 0.00 H new ATOM 0 HA CYS A 63 7.563 -6.800 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.062 -5.908 -1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.468 -7.473 -0.600 1.00 0.00 H new ATOM 0 HG CYS A 63 10.664 -8.006 -3.254 1.00 0.00 H new ATOM 951 N GLN A 64 7.402 -9.079 -0.008 1.00 0.00 N ATOM 952 CA GLN A 64 7.171 -10.361 0.647 1.00 0.00 C ATOM 953 C GLN A 64 6.333 -11.279 -0.236 1.00 0.00 C ATOM 954 O GLN A 64 5.259 -10.899 -0.702 1.00 0.00 O ATOM 955 CB GLN A 64 6.474 -10.152 1.993 1.00 0.00 C ATOM 956 CG GLN A 64 6.060 -11.448 2.671 1.00 0.00 C ATOM 957 CD GLN A 64 6.060 -11.342 4.183 1.00 0.00 C ATOM 958 OE1 GLN A 64 6.302 -10.271 4.741 1.00 0.00 O ATOM 959 NE2 GLN A 64 5.787 -12.454 4.855 1.00 0.00 N ATOM 0 H GLN A 64 6.840 -8.925 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 64 8.138 -10.834 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.141 -9.601 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.590 -9.532 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.064 -11.729 2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.738 -12.245 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.592 -13.319 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.772 -12.443 5.875 1.00 0.00 H new ATOM 968 N ASP A 65 6.830 -12.490 -0.462 1.00 0.00 N ATOM 969 CA ASP A 65 6.127 -13.464 -1.288 1.00 0.00 C ATOM 970 C ASP A 65 5.922 -12.930 -2.702 1.00 0.00 C ATOM 971 O ASP A 65 4.906 -13.207 -3.340 1.00 0.00 O ATOM 972 CB ASP A 65 4.777 -13.816 -0.662 1.00 0.00 C ATOM 973 CG ASP A 65 4.897 -14.877 0.414 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.542 -14.603 1.448 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.347 -15.982 0.222 1.00 0.00 O ATOM 0 H ASP A 65 7.718 -12.821 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 65 6.738 -14.365 -1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.333 -12.917 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.099 -14.167 -1.440 1.00 0.00 H new ATOM 980 N ARG A 66 6.892 -12.161 -3.185 1.00 0.00 N ATOM 981 CA ARG A 66 6.817 -11.585 -4.523 1.00 0.00 C ATOM 982 C ARG A 66 5.705 -10.543 -4.604 1.00 0.00 C ATOM 983 O ARG A 66 5.122 -10.325 -5.667 1.00 0.00 O ATOM 984 CB ARG A 66 6.578 -12.683 -5.561 1.00 0.00 C ATOM 985 CG ARG A 66 7.571 -13.831 -5.473 1.00 0.00 C ATOM 986 CD ARG A 66 8.942 -13.422 -5.988 1.00 0.00 C ATOM 987 NE ARG A 66 9.906 -14.517 -5.911 1.00 0.00 N ATOM 988 CZ ARG A 66 11.220 -14.347 -5.998 1.00 0.00 C ATOM 989 NH1 ARG A 66 11.725 -13.133 -6.164 1.00 0.00 N ATOM 990 NH2 ARG A 66 12.032 -15.393 -5.918 1.00 0.00 N ATOM 0 H ARG A 66 7.739 -11.922 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 66 7.767 -11.095 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.569 -13.076 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.628 -12.246 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.654 -14.163 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.202 -14.678 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.856 -13.087 -7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.309 -12.575 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 66 9.550 -15.464 -5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.104 -12.326 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.735 -13.005 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.647 -16.329 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.041 -15.261 -5.985 1.00 0.00 H new ATOM 1004 N ILE A 67 5.417 -9.904 -3.476 1.00 0.00 N ATOM 1005 CA ILE A 67 4.376 -8.885 -3.420 1.00 0.00 C ATOM 1006 C ILE A 67 4.911 -7.584 -2.832 1.00 0.00 C ATOM 1007 O ILE A 67 5.699 -7.595 -1.886 1.00 0.00 O ATOM 1008 CB ILE A 67 3.171 -9.356 -2.584 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.844 -10.817 -2.899 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.964 -8.468 -2.848 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.217 -11.016 -4.262 1.00 0.00 C ATOM 0 H ILE A 67 5.890 -10.074 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 67 4.050 -8.710 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 67 3.428 -9.281 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.759 -11.407 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.167 -11.202 -2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.121 -8.813 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.203 -7.439 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.703 -8.514 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.012 -12.075 -4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.285 -10.454 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.902 -10.662 -5.033 1.00 0.00 H new ATOM 1023 N VAL A 68 4.477 -6.462 -3.398 1.00 0.00 N ATOM 1024 CA VAL A 68 4.909 -5.152 -2.928 1.00 0.00 C ATOM 1025 C VAL A 68 3.734 -4.348 -2.382 1.00 0.00 C ATOM 1026 O VAL A 68 2.685 -4.252 -3.019 1.00 0.00 O ATOM 1027 CB VAL A 68 5.588 -4.348 -4.054 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.023 -2.982 -3.546 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.772 -5.118 -4.618 1.00 0.00 C ATOM 0 H VAL A 68 3.826 -6.435 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 68 5.630 -5.325 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 68 4.866 -4.198 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.500 -2.428 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.151 -2.430 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.729 -3.107 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.240 -4.536 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.498 -5.300 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.428 -6.070 -5.021 1.00 0.00 H new ATOM 1039 N TYR A 69 3.918 -3.772 -1.200 1.00 0.00 N ATOM 1040 CA TYR A 69 2.872 -2.977 -0.566 1.00 0.00 C ATOM 1041 C TYR A 69 3.341 -1.544 -0.336 1.00 0.00 C ATOM 1042 O TYR A 69 4.027 -1.252 0.645 1.00 0.00 O ATOM 1043 CB TYR A 69 2.457 -3.610 0.763 1.00 0.00 C ATOM 1044 CG TYR A 69 1.873 -4.997 0.618 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.690 -6.094 0.374 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.504 -5.210 0.722 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.161 -7.363 0.240 1.00 0.00 C ATOM 1048 CE2 TYR A 69 -0.033 -6.476 0.591 1.00 0.00 C ATOM 1049 CZ TYR A 69 0.799 -7.549 0.349 1.00 0.00 C ATOM 1050 OH TYR A 69 0.268 -8.811 0.216 1.00 0.00 O ATOM 0 H TYR A 69 4.781 -3.840 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 69 2.011 -2.955 -1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.326 -3.658 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.725 -2.966 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.757 -5.952 0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.151 -4.372 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.811 -8.205 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.099 -6.625 0.678 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.578 -8.760 -0.276 1.00 0.00 H new ATOM 1060 N LEU A 70 2.966 -0.652 -1.247 1.00 0.00 N ATOM 1061 CA LEU A 70 3.347 0.752 -1.145 1.00 0.00 C ATOM 1062 C LEU A 70 2.221 1.578 -0.530 1.00 0.00 C ATOM 1063 O LEU A 70 1.043 1.266 -0.705 1.00 0.00 O ATOM 1064 CB LEU A 70 3.706 1.305 -2.525 1.00 0.00 C ATOM 1065 CG LEU A 70 4.388 2.674 -2.543 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.264 2.818 -3.777 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.351 3.787 -2.490 1.00 0.00 C ATOM 0 H LEU A 70 2.399 -0.877 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 70 4.220 0.820 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.360 0.589 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.793 1.368 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 70 5.023 2.754 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.741 3.798 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.029 2.042 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.651 2.717 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.854 4.754 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.690 3.710 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.765 3.695 -1.575 1.00 0.00 H new ATOM 1079 N CYS A 71 2.592 2.632 0.188 1.00 0.00 N ATOM 1080 CA CYS A 71 1.614 3.504 0.828 1.00 0.00 C ATOM 1081 C CYS A 71 2.129 4.938 0.900 1.00 0.00 C ATOM 1082 O CYS A 71 3.337 5.174 0.932 1.00 0.00 O ATOM 1083 CB CYS A 71 1.288 2.996 2.232 1.00 0.00 C ATOM 1084 SG CYS A 71 2.437 3.563 3.508 1.00 0.00 S ATOM 0 H CYS A 71 3.563 2.903 0.342 1.00 0.00 H new ATOM 0 HA CYS A 71 0.706 3.493 0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.280 3.316 2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.284 1.906 2.220 1.00 0.00 H new ATOM 0 HG CYS A 71 3.468 4.120 2.946 1.00 0.00 H new ATOM 1090 N ILE A 72 1.204 5.893 0.923 1.00 0.00 N ATOM 1091 CA ILE A 72 1.565 7.303 0.990 1.00 0.00 C ATOM 1092 C ILE A 72 1.038 7.945 2.269 1.00 0.00 C ATOM 1093 O ILE A 72 -0.155 7.877 2.566 1.00 0.00 O ATOM 1094 CB ILE A 72 1.022 8.082 -0.222 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.619 7.531 -1.519 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.328 9.565 -0.080 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.790 7.841 -2.746 1.00 0.00 C ATOM 0 H ILE A 72 0.200 5.715 0.896 1.00 0.00 H new ATOM 0 HA ILE A 72 2.654 7.350 0.984 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.060 7.957 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.619 7.943 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.729 6.450 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.938 10.101 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.859 9.948 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.407 9.710 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.273 7.420 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.203 7.405 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.701 8.921 -2.862 1.00 0.00 H new ATOM 1109 N THR A 73 1.936 8.570 3.025 1.00 0.00 N ATOM 1110 CA THR A 73 1.563 9.224 4.272 1.00 0.00 C ATOM 1111 C THR A 73 2.294 10.552 4.436 1.00 0.00 C ATOM 1112 O THR A 73 3.248 10.840 3.714 1.00 0.00 O ATOM 1113 CB THR A 73 1.867 8.330 5.489 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.268 8.040 5.546 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.078 7.032 5.418 1.00 0.00 C ATOM 0 H THR A 73 2.927 8.637 2.794 1.00 0.00 H new ATOM 0 HA THR A 73 0.489 9.406 4.224 1.00 0.00 H new ATOM 0 HB THR A 73 1.571 8.868 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.453 7.473 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.309 6.417 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.011 7.255 5.405 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.347 6.492 4.510 1.00 0.00 H new ATOM 1123 N ASP A 74 1.840 11.358 5.390 1.00 0.00 N ATOM 1124 CA ASP A 74 2.453 12.655 5.651 1.00 0.00 C ATOM 1125 C ASP A 74 3.808 12.490 6.331 1.00 0.00 C ATOM 1126 O ASP A 74 3.965 11.664 7.231 1.00 0.00 O ATOM 1127 CB ASP A 74 1.532 13.512 6.521 1.00 0.00 C ATOM 1128 CG ASP A 74 0.400 14.135 5.727 1.00 0.00 C ATOM 1129 OD1 ASP A 74 0.669 14.673 4.633 1.00 0.00 O ATOM 1130 OD2 ASP A 74 -0.755 14.086 6.201 1.00 0.00 O ATOM 0 H ASP A 74 1.050 11.136 5.995 1.00 0.00 H new ATOM 0 HA ASP A 74 2.606 13.155 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.117 12.898 7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.116 14.301 6.996 1.00 0.00 H new ATOM 1135 N ASP A 75 4.783 13.280 5.896 1.00 0.00 N ATOM 1136 CA ASP A 75 6.125 13.222 6.463 1.00 0.00 C ATOM 1137 C ASP A 75 6.068 13.074 7.981 1.00 0.00 C ATOM 1138 O ASP A 75 6.533 12.078 8.535 1.00 0.00 O ATOM 1139 CB ASP A 75 6.915 14.477 6.090 1.00 0.00 C ATOM 1140 CG ASP A 75 7.446 14.427 4.671 1.00 0.00 C ATOM 1141 OD1 ASP A 75 8.418 13.681 4.429 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.891 15.133 3.804 1.00 0.00 O ATOM 0 H ASP A 75 4.669 13.969 5.152 1.00 0.00 H new ATOM 0 HA ASP A 75 6.629 12.349 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.276 15.352 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.748 14.597 6.782 1.00 0.00 H new ATOM 1147 N ASP A 76 5.495 14.071 8.646 1.00 0.00 N ATOM 1148 CA ASP A 76 5.377 14.052 10.099 1.00 0.00 C ATOM 1149 C ASP A 76 5.091 12.641 10.603 1.00 0.00 C ATOM 1150 O ASP A 76 5.667 12.197 11.596 1.00 0.00 O ATOM 1151 CB ASP A 76 4.270 15.004 10.554 1.00 0.00 C ATOM 1152 CG ASP A 76 4.650 16.461 10.378 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.447 16.969 11.195 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.150 17.094 9.425 1.00 0.00 O ATOM 0 H ASP A 76 5.105 14.902 8.202 1.00 0.00 H new ATOM 0 HA ASP A 76 6.326 14.383 10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.362 14.798 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.041 14.815 11.603 1.00 0.00 H new ATOM 1159 N PHE A 77 4.197 11.942 9.912 1.00 0.00 N ATOM 1160 CA PHE A 77 3.833 10.581 10.290 1.00 0.00 C ATOM 1161 C PHE A 77 5.076 9.749 10.592 1.00 0.00 C ATOM 1162 O PHE A 77 6.096 9.871 9.915 1.00 0.00 O ATOM 1163 CB PHE A 77 3.021 9.919 9.175 1.00 0.00 C ATOM 1164 CG PHE A 77 2.146 8.797 9.656 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.932 9.061 10.269 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.538 7.478 9.495 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.125 8.030 10.712 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.735 6.443 9.936 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.527 6.720 10.546 1.00 0.00 C ATOM 0 H PHE A 77 3.711 12.295 9.088 1.00 0.00 H new ATOM 0 HA PHE A 77 3.224 10.632 11.192 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.399 10.673 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.704 9.537 8.417 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.613 10.084 10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.482 7.256 9.019 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.819 8.249 11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.052 5.419 9.804 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.102 5.913 10.892 1.00 0.00 H new ATOM 1179 N GLU A 78 4.981 8.905 11.615 1.00 0.00 N ATOM 1180 CA GLU A 78 6.098 8.054 12.007 1.00 0.00 C ATOM 1181 C GLU A 78 6.133 6.780 11.168 1.00 0.00 C ATOM 1182 O GLU A 78 5.104 6.139 10.951 1.00 0.00 O ATOM 1183 CB GLU A 78 5.999 7.697 13.492 1.00 0.00 C ATOM 1184 CG GLU A 78 7.326 7.290 14.110 1.00 0.00 C ATOM 1185 CD GLU A 78 7.224 7.050 15.604 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.023 8.030 16.350 1.00 0.00 O ATOM 1187 OE2 GLU A 78 7.347 5.881 16.026 1.00 0.00 O ATOM 0 H GLU A 78 4.143 8.793 12.186 1.00 0.00 H new ATOM 0 HA GLU A 78 7.021 8.607 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.601 8.553 14.037 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.286 6.882 13.614 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.686 6.383 13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.065 8.069 13.920 1.00 0.00 H new ATOM 1194 N ARG A 79 7.323 6.419 10.699 1.00 0.00 N ATOM 1195 CA ARG A 79 7.492 5.224 9.882 1.00 0.00 C ATOM 1196 C ARG A 79 6.857 4.011 10.556 1.00 0.00 C ATOM 1197 O ARG A 79 6.059 3.297 9.948 1.00 0.00 O ATOM 1198 CB ARG A 79 8.977 4.960 9.627 1.00 0.00 C ATOM 1199 CG ARG A 79 9.590 5.885 8.588 1.00 0.00 C ATOM 1200 CD ARG A 79 11.065 6.134 8.866 1.00 0.00 C ATOM 1201 NE ARG A 79 11.724 6.810 7.751 1.00 0.00 N ATOM 1202 CZ ARG A 79 12.858 7.492 7.873 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.454 7.588 9.053 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.397 8.079 6.812 1.00 0.00 N ATOM 0 H ARG A 79 8.184 6.937 10.871 1.00 0.00 H new ATOM 0 HA ARG A 79 6.991 5.392 8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.523 5.068 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.103 3.927 9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.474 5.448 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.054 6.834 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.167 6.738 9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.563 5.184 9.060 1.00 0.00 H new ATOM 0 HE ARG A 79 11.290 6.756 6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.042 7.138 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.324 8.112 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.941 8.007 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.267 8.602 6.906 1.00 0.00 H new ATOM 1218 N SER A 80 7.219 3.783 11.815 1.00 0.00 N ATOM 1219 CA SER A 80 6.688 2.654 12.570 1.00 0.00 C ATOM 1220 C SER A 80 5.209 2.442 12.263 1.00 0.00 C ATOM 1221 O SER A 80 4.821 1.418 11.701 1.00 0.00 O ATOM 1222 CB SER A 80 6.882 2.881 14.071 1.00 0.00 C ATOM 1223 OG SER A 80 8.249 3.084 14.384 1.00 0.00 O ATOM 0 H SER A 80 7.877 4.365 12.333 1.00 0.00 H new ATOM 0 HA SER A 80 7.235 1.760 12.271 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.301 3.746 14.389 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.503 2.022 14.624 1.00 0.00 H new ATOM 0 HG SER A 80 8.346 3.228 15.348 1.00 0.00 H new ATOM 1229 N ARG A 81 4.388 3.418 12.636 1.00 0.00 N ATOM 1230 CA ARG A 81 2.951 3.339 12.403 1.00 0.00 C ATOM 1231 C ARG A 81 2.656 2.859 10.985 1.00 0.00 C ATOM 1232 O ARG A 81 1.821 1.980 10.778 1.00 0.00 O ATOM 1233 CB ARG A 81 2.299 4.703 12.637 1.00 0.00 C ATOM 1234 CG ARG A 81 1.839 4.921 14.069 1.00 0.00 C ATOM 1235 CD ARG A 81 3.002 5.286 14.978 1.00 0.00 C ATOM 1236 NE ARG A 81 2.584 5.434 16.369 1.00 0.00 N ATOM 1237 CZ ARG A 81 1.818 6.428 16.805 1.00 0.00 C ATOM 1238 NH1 ARG A 81 1.389 7.357 15.962 1.00 0.00 N ATOM 1239 NH2 ARG A 81 1.480 6.495 18.086 1.00 0.00 N ATOM 0 H ARG A 81 4.693 4.273 13.101 1.00 0.00 H new ATOM 0 HA ARG A 81 2.533 2.619 13.106 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.008 5.486 12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.443 4.806 11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.092 5.714 14.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.356 4.016 14.439 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.770 4.516 14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.453 6.217 14.634 1.00 0.00 H new ATOM 0 HE ARG A 81 2.897 4.736 17.043 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.647 7.309 14.976 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.801 8.119 16.299 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.808 5.783 18.738 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.892 7.259 18.419 1.00 0.00 H new ATOM 1253 N ALA A 82 3.348 3.444 10.012 1.00 0.00 N ATOM 1254 CA ALA A 82 3.162 3.075 8.614 1.00 0.00 C ATOM 1255 C ALA A 82 3.497 1.605 8.385 1.00 0.00 C ATOM 1256 O ALA A 82 2.637 0.815 7.995 1.00 0.00 O ATOM 1257 CB ALA A 82 4.015 3.959 7.717 1.00 0.00 C ATOM 0 H ALA A 82 4.042 4.175 10.167 1.00 0.00 H new ATOM 0 HA ALA A 82 2.112 3.225 8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.866 3.672 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.725 5.001 7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.066 3.838 7.980 1.00 0.00 H new ATOM 1263 N PHE A 83 4.752 1.244 8.629 1.00 0.00 N ATOM 1264 CA PHE A 83 5.202 -0.132 8.447 1.00 0.00 C ATOM 1265 C PHE A 83 4.216 -1.113 9.074 1.00 0.00 C ATOM 1266 O PHE A 83 4.027 -2.223 8.578 1.00 0.00 O ATOM 1267 CB PHE A 83 6.589 -0.323 9.062 1.00 0.00 C ATOM 1268 CG PHE A 83 7.704 0.192 8.198 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.837 -0.236 6.887 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.619 1.106 8.696 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.862 0.236 6.090 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.647 1.582 7.903 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.768 1.147 6.598 1.00 0.00 C ATOM 0 H PHE A 83 5.476 1.885 8.953 1.00 0.00 H new ATOM 0 HA PHE A 83 5.256 -0.332 7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.623 0.184 10.026 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.749 -1.384 9.254 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.131 -0.947 6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.528 1.451 9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.955 -0.107 5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.354 2.293 8.304 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.569 1.518 5.976 1.00 0.00 H new ATOM 1283 N ASN A 84 3.589 -0.695 10.170 1.00 0.00 N ATOM 1284 CA ASN A 84 2.623 -1.537 10.866 1.00 0.00 C ATOM 1285 C ASN A 84 1.386 -1.772 10.005 1.00 0.00 C ATOM 1286 O ASN A 84 1.139 -2.887 9.547 1.00 0.00 O ATOM 1287 CB ASN A 84 2.219 -0.893 12.194 1.00 0.00 C ATOM 1288 CG ASN A 84 3.309 -1.000 13.244 1.00 0.00 C ATOM 1289 OD1 ASN A 84 4.155 -1.893 13.187 1.00 0.00 O ATOM 1290 ND2 ASN A 84 3.293 -0.088 14.208 1.00 0.00 N ATOM 0 H ASN A 84 3.733 0.221 10.594 1.00 0.00 H new ATOM 0 HA ASN A 84 3.094 -2.500 11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.981 0.157 12.028 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.312 -1.371 12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.001 -0.109 14.942 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.573 0.634 14.215 1.00 0.00 H new ATOM 1297 N PHE A 85 0.612 -0.713 9.789 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.600 -0.804 8.983 1.00 0.00 C ATOM 1299 C PHE A 85 -0.370 -1.674 7.751 1.00 0.00 C ATOM 1300 O PHE A 85 -1.200 -2.517 7.408 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.060 0.592 8.557 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.061 0.577 7.438 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.645 0.614 6.117 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.420 0.528 7.707 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.565 0.600 5.085 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.344 0.513 6.680 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.916 0.551 5.367 1.00 0.00 C ATOM 0 H PHE A 85 0.803 0.218 10.161 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.378 -1.266 9.592 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.496 1.100 9.417 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.191 1.174 8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.590 0.654 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.761 0.501 8.732 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.227 0.627 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.400 0.472 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.637 0.542 4.563 1.00 0.00 H new ATOM 1317 N LEU A 86 0.762 -1.463 7.088 1.00 0.00 N ATOM 1318 CA LEU A 86 1.103 -2.228 5.893 1.00 0.00 C ATOM 1319 C LEU A 86 1.220 -3.714 6.213 1.00 0.00 C ATOM 1320 O LEU A 86 0.511 -4.540 5.639 1.00 0.00 O ATOM 1321 CB LEU A 86 2.415 -1.718 5.295 1.00 0.00 C ATOM 1322 CG LEU A 86 2.359 -0.345 4.625 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.752 0.107 4.216 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.431 -0.378 3.419 1.00 0.00 C ATOM 0 H LEU A 86 1.459 -0.769 7.357 1.00 0.00 H new ATOM 0 HA LEU A 86 0.303 -2.094 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.163 -1.683 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.763 -2.444 4.561 1.00 0.00 H new ATOM 0 HG LEU A 86 1.963 0.373 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.692 1.086 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.388 0.171 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.176 -0.611 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.403 0.608 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.797 -1.109 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.427 -0.656 3.740 1.00 0.00 H new ATOM 1336 N ASN A 87 2.118 -4.048 7.134 1.00 0.00 N ATOM 1337 CA ASN A 87 2.326 -5.435 7.531 1.00 0.00 C ATOM 1338 C ASN A 87 1.007 -6.091 7.929 1.00 0.00 C ATOM 1339 O ASN A 87 0.834 -7.300 7.776 1.00 0.00 O ATOM 1340 CB ASN A 87 3.317 -5.511 8.694 1.00 0.00 C ATOM 1341 CG ASN A 87 3.628 -6.940 9.097 1.00 0.00 C ATOM 1342 OD1 ASN A 87 2.964 -7.879 8.658 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.643 -7.111 9.936 1.00 0.00 N ATOM 0 H ASN A 87 2.713 -3.377 7.619 1.00 0.00 H new ATOM 0 HA ASN A 87 2.736 -5.974 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.241 -5.006 8.413 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.909 -4.975 9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.899 -8.050 10.242 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.166 -6.304 10.275 1.00 0.00 H new ATOM 1350 N GLU A 88 0.081 -5.285 8.439 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.221 -5.788 8.859 1.00 0.00 C ATOM 1352 C GLU A 88 -2.019 -6.298 7.662 1.00 0.00 C ATOM 1353 O GLU A 88 -2.363 -7.478 7.590 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.008 -4.691 9.579 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.376 -4.248 10.888 1.00 0.00 C ATOM 1356 CD GLU A 88 -1.779 -5.127 12.057 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.964 -5.513 12.129 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -0.908 -5.427 12.900 1.00 0.00 O ATOM 0 H GLU A 88 0.209 -4.282 8.571 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.057 -6.618 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.099 -3.828 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.018 -5.050 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.291 -4.261 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.665 -3.218 11.096 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.309 -5.401 6.726 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.065 -5.760 5.532 1.00 0.00 C ATOM 1367 C ILE A 89 -2.301 -6.767 4.680 1.00 0.00 C ATOM 1368 O ILE A 89 -2.882 -7.711 4.144 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.388 -4.520 4.677 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.124 -3.691 4.444 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.464 -3.680 5.347 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.324 -2.539 3.484 1.00 0.00 C ATOM 0 H ILE A 89 -2.032 -4.420 6.771 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.998 -6.210 5.872 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.765 -4.852 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.775 -3.300 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.339 -4.342 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.681 -2.808 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.369 -4.275 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.114 -3.354 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.386 -1.996 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.644 -2.924 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.086 -1.866 3.877 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.994 -6.561 4.560 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.147 -7.452 3.775 1.00 0.00 C ATOM 1386 C LYS A 90 -0.322 -8.901 4.221 1.00 0.00 C ATOM 1387 O LYS A 90 -0.464 -9.803 3.396 1.00 0.00 O ATOM 1388 CB LYS A 90 1.321 -7.041 3.905 1.00 0.00 C ATOM 1389 CG LYS A 90 2.115 -7.913 4.862 1.00 0.00 C ATOM 1390 CD LYS A 90 3.600 -7.600 4.800 1.00 0.00 C ATOM 1391 CE LYS A 90 4.377 -8.374 5.854 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.027 -9.821 5.851 1.00 0.00 N ATOM 0 H LYS A 90 -0.498 -5.784 4.997 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.448 -7.372 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.788 -7.078 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.371 -6.006 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.753 -7.762 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.953 -8.963 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.984 -7.846 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.754 -6.531 4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.446 -8.259 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.172 -7.953 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.897 -10.389 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.435 -10.037 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.504 -10.050 4.982 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.310 -9.116 5.532 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.469 -10.454 6.089 1.00 0.00 C ATOM 1408 C LYS A 91 -1.868 -10.996 5.812 1.00 0.00 C ATOM 1409 O LYS A 91 -2.031 -12.159 5.440 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.208 -10.436 7.597 1.00 0.00 C ATOM 1411 CG LYS A 91 1.267 -10.434 7.959 1.00 0.00 C ATOM 1412 CD LYS A 91 1.476 -10.204 9.447 1.00 0.00 C ATOM 1413 CE LYS A 91 1.351 -11.500 10.233 1.00 0.00 C ATOM 1414 NZ LYS A 91 -0.053 -11.762 10.653 1.00 0.00 N ATOM 0 H LYS A 91 -0.192 -8.381 6.229 1.00 0.00 H new ATOM 0 HA LYS A 91 0.258 -11.109 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.681 -9.554 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.683 -11.306 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.715 -11.385 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.780 -9.656 7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.461 -9.769 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.744 -9.484 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.708 -12.330 9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.991 -11.453 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.058 -12.176 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.586 -10.869 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.497 -12.425 9.986 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.874 -10.147 5.992 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.258 -10.541 5.761 1.00 0.00 C ATOM 1430 C ARG A 92 -4.481 -10.908 4.297 1.00 0.00 C ATOM 1431 O ARG A 92 -5.421 -11.630 3.963 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.207 -9.411 6.164 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.607 -9.446 7.630 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.903 -8.688 7.872 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.561 -9.109 9.106 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.811 -8.788 9.418 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -9.536 -8.047 8.591 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -9.340 -9.209 10.560 1.00 0.00 N ATOM 0 H ARG A 92 -2.756 -9.181 6.297 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.467 -11.418 6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.731 -8.454 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.106 -9.466 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.724 -10.481 7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.812 -9.012 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.694 -7.619 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.577 -8.845 7.030 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.031 -9.681 9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.134 -7.722 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.496 -7.802 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.786 -9.780 11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.300 -8.962 10.799 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.611 -10.406 3.427 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.713 -10.680 1.998 1.00 0.00 C ATOM 1454 C PHE A 93 -2.924 -11.932 1.626 1.00 0.00 C ATOM 1455 O PHE A 93 -3.451 -12.844 0.991 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.205 -9.484 1.191 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.268 -9.694 -0.295 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.217 -10.296 -0.969 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -4.378 -9.289 -1.019 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -2.273 -10.490 -2.336 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.440 -9.481 -2.386 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.386 -10.083 -3.046 1.00 0.00 C ATOM 0 H PHE A 93 -2.827 -9.807 3.686 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.763 -10.851 1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.793 -8.604 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.174 -9.274 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.344 -10.617 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.205 -8.818 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.447 -10.960 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.311 -9.161 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.432 -10.235 -4.114 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.657 -11.966 2.028 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.794 -13.105 1.736 1.00 0.00 C ATOM 1474 C GLN A 94 -1.337 -14.378 2.378 1.00 0.00 C ATOM 1475 O GLN A 94 -0.999 -15.488 1.964 1.00 0.00 O ATOM 1476 CB GLN A 94 0.627 -12.835 2.232 1.00 0.00 C ATOM 1477 CG GLN A 94 0.832 -13.166 3.701 1.00 0.00 C ATOM 1478 CD GLN A 94 2.094 -12.547 4.269 1.00 0.00 C ATOM 1479 OE1 GLN A 94 3.035 -12.245 3.535 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.119 -12.354 5.582 1.00 0.00 N ATOM 0 H GLN A 94 -1.206 -11.219 2.556 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.773 -13.246 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.328 -13.419 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.867 -11.784 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.028 -12.816 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.876 -14.248 3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.316 -12.620 6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.941 -11.940 6.021 1.00 0.00 H new ATOM 1489 N THR A 95 -2.180 -14.210 3.392 1.00 0.00 N ATOM 1490 CA THR A 95 -2.768 -15.345 4.093 1.00 0.00 C ATOM 1491 C THR A 95 -4.112 -15.730 3.485 1.00 0.00 C ATOM 1492 O THR A 95 -4.430 -16.912 3.353 1.00 0.00 O ATOM 1493 CB THR A 95 -2.963 -15.041 5.590 1.00 0.00 C ATOM 1494 OG1 THR A 95 -2.928 -16.257 6.345 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.284 -14.327 5.830 1.00 0.00 C ATOM 0 H THR A 95 -2.471 -13.299 3.746 1.00 0.00 H new ATOM 0 HA THR A 95 -2.072 -16.177 3.987 1.00 0.00 H new ATOM 0 HB THR A 95 -2.152 -14.389 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.051 -16.055 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.399 -14.123 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.296 -13.388 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.106 -14.958 5.491 1.00 0.00 H new ATOM 1503 N THR A 96 -4.898 -14.724 3.114 1.00 0.00 N ATOM 1504 CA THR A 96 -6.209 -14.957 2.520 1.00 0.00 C ATOM 1505 C THR A 96 -6.111 -15.083 1.004 1.00 0.00 C ATOM 1506 O THR A 96 -6.362 -16.149 0.442 1.00 0.00 O ATOM 1507 CB THR A 96 -7.193 -13.825 2.868 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.454 -13.817 4.276 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.499 -13.990 2.106 1.00 0.00 C ATOM 0 H THR A 96 -4.649 -13.740 3.214 1.00 0.00 H new ATOM 0 HA THR A 96 -6.583 -15.893 2.936 1.00 0.00 H new ATOM 0 HB THR A 96 -6.739 -12.877 2.578 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.897 -13.136 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.178 -13.179 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.301 -13.965 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.955 -14.944 2.369 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.743 -13.988 0.348 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.614 -13.975 -1.105 1.00 0.00 C ATOM 1519 C TYR A 97 -4.146 -13.967 -1.521 1.00 0.00 C ATOM 1520 O TYR A 97 -3.777 -13.362 -2.526 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.328 -12.756 -1.691 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.687 -12.500 -1.080 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.702 -13.444 -1.173 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.957 -11.313 -0.410 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.946 -13.214 -0.618 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.197 -11.074 0.150 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.188 -12.027 0.043 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.425 -11.794 0.599 1.00 0.00 O ATOM 0 H TYR A 97 -5.529 -13.098 0.799 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.079 -14.881 -1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.702 -11.875 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.442 -12.894 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.515 -14.374 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.184 -10.564 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.724 -13.958 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.389 -10.146 0.669 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.430 -10.913 1.028 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.312 -14.645 -0.738 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.894 -14.705 -1.040 1.00 0.00 C ATOM 1540 C GLY A 98 -1.574 -15.718 -2.122 1.00 0.00 C ATOM 1541 O GLY A 98 -1.123 -15.354 -3.208 1.00 0.00 O ATOM 0 H GLY A 98 -3.593 -15.154 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.551 -13.720 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.343 -14.959 -0.134 1.00 0.00 H new ATOM 1545 N SER A 99 -1.805 -16.992 -1.824 1.00 0.00 N ATOM 1546 CA SER A 99 -1.533 -18.062 -2.778 1.00 0.00 C ATOM 1547 C SER A 99 -2.130 -17.736 -4.144 1.00 0.00 C ATOM 1548 O SER A 99 -1.468 -17.878 -5.172 1.00 0.00 O ATOM 1549 CB SER A 99 -2.098 -19.387 -2.264 1.00 0.00 C ATOM 1550 OG SER A 99 -1.546 -19.723 -1.003 1.00 0.00 O ATOM 0 H SER A 99 -2.180 -17.309 -0.930 1.00 0.00 H new ATOM 0 HA SER A 99 -0.452 -18.154 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.183 -19.316 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.884 -20.180 -2.981 1.00 0.00 H new ATOM 0 HG SER A 99 -1.925 -20.573 -0.696 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.385 -17.299 -4.145 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.072 -16.955 -5.384 1.00 0.00 C ATOM 1558 C ARG A 100 -3.370 -15.800 -6.092 1.00 0.00 C ATOM 1559 O ARG A 100 -3.299 -15.763 -7.320 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.528 -16.582 -5.097 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.466 -17.777 -5.059 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.906 -17.348 -4.824 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.559 -16.920 -6.058 1.00 0.00 N ATOM 1564 CZ ARG A 100 -9.875 -16.809 -6.193 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -10.676 -17.091 -5.174 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -10.394 -16.413 -7.349 1.00 0.00 N ATOM 0 H ARG A 100 -3.946 -17.175 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.049 -17.827 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.579 -16.060 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.873 -15.884 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.397 -18.325 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.155 -18.460 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.464 -18.176 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.928 -16.533 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.972 -16.694 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.281 -17.394 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.687 -17.005 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.781 -16.194 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.405 -16.328 -7.452 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.854 -14.858 -5.308 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.156 -13.703 -5.860 1.00 0.00 C ATOM 1582 C ALA A 101 -1.054 -14.135 -6.821 1.00 0.00 C ATOM 1583 O ALA A 101 -0.627 -13.361 -7.677 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.579 -12.851 -4.740 1.00 0.00 C ATOM 0 H ALA A 101 -2.906 -14.872 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.877 -13.107 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.061 -11.992 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.386 -12.504 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.877 -13.445 -4.156 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.599 -15.375 -6.674 1.00 0.00 N ATOM 1591 CA GLN A 102 0.455 -15.908 -7.529 1.00 0.00 C ATOM 1592 C GLN A 102 -0.124 -16.459 -8.827 1.00 0.00 C ATOM 1593 O GLN A 102 0.552 -16.494 -9.856 1.00 0.00 O ATOM 1594 CB GLN A 102 1.230 -17.005 -6.796 1.00 0.00 C ATOM 1595 CG GLN A 102 1.812 -16.553 -5.466 1.00 0.00 C ATOM 1596 CD GLN A 102 2.952 -15.568 -5.632 1.00 0.00 C ATOM 1597 OE1 GLN A 102 4.092 -15.957 -5.886 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.649 -14.283 -5.490 1.00 0.00 N ATOM 0 H GLN A 102 -0.944 -16.029 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 102 1.136 -15.093 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.568 -17.853 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.039 -17.357 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.025 -16.095 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.167 -17.424 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.690 -14.005 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.375 -13.574 -5.591 1.00 0.00 H new ATOM 1607 N THR A 103 -1.381 -16.891 -8.773 1.00 0.00 N ATOM 1608 CA THR A 103 -2.051 -17.442 -9.944 1.00 0.00 C ATOM 1609 C THR A 103 -3.154 -16.512 -10.435 1.00 0.00 C ATOM 1610 O THR A 103 -3.111 -16.025 -11.564 1.00 0.00 O ATOM 1611 CB THR A 103 -2.657 -18.826 -9.644 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.604 -18.725 -8.575 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.571 -19.824 -9.273 1.00 0.00 C ATOM 0 H THR A 103 -1.955 -16.870 -7.930 1.00 0.00 H new ATOM 0 HA THR A 103 -1.295 -17.545 -10.722 1.00 0.00 H new ATOM 0 HB THR A 103 -3.161 -19.180 -10.543 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.986 -19.609 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.023 -20.794 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.868 -19.921 -10.100 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.042 -19.473 -8.387 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.141 -16.268 -9.579 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.254 -15.394 -9.925 1.00 0.00 C ATOM 1623 C ALA A 104 -4.784 -14.215 -10.771 1.00 0.00 C ATOM 1624 O ALA A 104 -3.723 -13.635 -10.535 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.948 -14.898 -8.665 1.00 0.00 C ATOM 0 H ALA A 104 -4.192 -16.664 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.966 -15.971 -10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.777 -14.246 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.327 -15.749 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.237 -14.343 -8.053 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.589 -13.850 -11.779 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.275 -12.737 -12.680 1.00 0.00 C ATOM 1633 C PRO A 105 -5.371 -11.384 -11.985 1.00 0.00 C ATOM 1634 O PRO A 105 -5.879 -11.267 -10.869 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.340 -12.854 -13.773 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.480 -13.554 -13.117 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.868 -14.496 -12.118 1.00 0.00 C ATOM 0 HA PRO A 105 -4.253 -12.792 -13.054 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.638 -11.873 -14.142 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -5.969 -13.418 -14.629 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.144 -12.843 -12.626 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.078 -14.096 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.502 -14.618 -11.240 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.717 -15.489 -12.542 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.873 -10.335 -12.657 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.892 -8.970 -12.122 1.00 0.00 C ATOM 1647 C PRO A 106 -6.301 -8.390 -12.066 1.00 0.00 C ATOM 1648 O PRO A 106 -7.114 -8.620 -12.961 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.030 -8.188 -13.115 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.126 -8.956 -14.388 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.252 -10.401 -13.990 1.00 0.00 C ATOM 0 HA PRO A 106 -4.527 -8.929 -11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.396 -7.169 -13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.998 -8.117 -12.773 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.988 -8.636 -14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.243 -8.797 -15.007 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.870 -10.959 -14.694 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.281 -10.895 -13.957 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.583 -7.636 -11.009 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.895 -7.023 -10.836 1.00 0.00 C ATOM 1661 C TYR A 107 -8.981 -8.088 -10.708 1.00 0.00 C ATOM 1662 O TYR A 107 -10.086 -7.928 -11.225 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.209 -6.098 -12.013 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.302 -4.891 -12.093 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.437 -3.835 -11.201 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.308 -4.808 -13.061 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.610 -2.731 -11.271 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.477 -3.707 -13.138 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.632 -2.671 -12.241 1.00 0.00 C ATOM 1670 OH TYR A 107 -4.806 -1.573 -12.314 1.00 0.00 O ATOM 0 H TYR A 107 -5.921 -7.435 -10.259 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.875 -6.437 -9.917 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.129 -6.664 -12.941 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.242 -5.761 -11.934 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.202 -3.878 -10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.183 -5.618 -13.765 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.729 -1.919 -10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.710 -3.658 -13.897 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.172 -1.689 -13.052 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.656 -9.174 -10.014 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.603 -10.264 -9.815 1.00 0.00 C ATOM 1682 C ALA A 108 -10.270 -10.169 -8.447 1.00 0.00 C ATOM 1683 O ALA A 108 -11.487 -10.308 -8.329 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.902 -11.606 -9.970 1.00 0.00 C ATOM 0 H ALA A 108 -7.745 -9.322 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.380 -10.181 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.621 -12.411 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.478 -11.681 -10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.105 -11.688 -9.231 1.00 0.00 H new ATOM 1690 N MET A 109 -9.465 -9.931 -7.416 1.00 0.00 N ATOM 1691 CA MET A 109 -9.979 -9.817 -6.056 1.00 0.00 C ATOM 1692 C MET A 109 -9.828 -8.391 -5.536 1.00 0.00 C ATOM 1693 O MET A 109 -9.407 -8.176 -4.400 1.00 0.00 O ATOM 1694 CB MET A 109 -9.249 -10.790 -5.129 1.00 0.00 C ATOM 1695 CG MET A 109 -7.775 -10.466 -4.946 1.00 0.00 C ATOM 1696 SD MET A 109 -6.733 -11.234 -6.201 1.00 0.00 S ATOM 1697 CE MET A 109 -6.175 -12.696 -5.329 1.00 0.00 C ATOM 0 H MET A 109 -8.455 -9.813 -7.497 1.00 0.00 H new ATOM 0 HA MET A 109 -11.039 -10.069 -6.073 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.737 -10.786 -4.154 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.344 -11.800 -5.529 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.638 -9.385 -4.978 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.454 -10.799 -3.959 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.763 -13.410 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.406 -12.418 -4.608 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.016 -13.150 -4.805 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.173 -7.420 -6.375 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.075 -6.014 -6.000 1.00 0.00 C ATOM 1709 C ASN A 110 -11.282 -5.586 -5.171 1.00 0.00 C ATOM 1710 O ASN A 110 -11.176 -4.726 -4.298 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.963 -5.137 -7.249 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.180 -5.253 -8.147 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.374 -6.264 -8.822 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -12.007 -4.213 -8.159 1.00 0.00 N ATOM 0 H ASN A 110 -10.523 -7.581 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.178 -5.888 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.834 -4.097 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.072 -5.420 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.842 -4.232 -8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.807 -3.395 -7.583 1.00 0.00 H new ATOM 1721 N SER A 111 -12.431 -6.194 -5.452 1.00 0.00 N ATOM 1722 CA SER A 111 -13.660 -5.875 -4.735 1.00 0.00 C ATOM 1723 C SER A 111 -13.550 -6.271 -3.266 1.00 0.00 C ATOM 1724 O SER A 111 -13.721 -5.440 -2.374 1.00 0.00 O ATOM 1725 CB SER A 111 -14.851 -6.586 -5.379 1.00 0.00 C ATOM 1726 OG SER A 111 -14.967 -6.246 -6.750 1.00 0.00 O ATOM 0 H SER A 111 -12.536 -6.910 -6.171 1.00 0.00 H new ATOM 0 HA SER A 111 -13.815 -4.798 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.733 -7.665 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.767 -6.315 -4.855 1.00 0.00 H new ATOM 0 HG SER A 111 -15.735 -6.715 -7.139 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.265 -7.546 -3.023 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.133 -8.053 -1.662 1.00 0.00 C ATOM 1734 C GLU A 112 -12.108 -7.241 -0.876 1.00 0.00 C ATOM 1735 O GLU A 112 -12.406 -6.716 0.197 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.727 -9.528 -1.680 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.903 -10.482 -1.800 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.386 -10.636 -3.230 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -14.972 -9.673 -3.766 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -14.175 -11.721 -3.812 1.00 0.00 O ATOM 0 H GLU A 112 -13.121 -8.247 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.101 -7.957 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.046 -9.698 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.177 -9.756 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.615 -11.458 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.724 -10.121 -1.180 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.898 -7.144 -1.417 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.827 -6.399 -0.766 1.00 0.00 C ATOM 1749 C PHE A 113 -10.186 -4.920 -0.651 1.00 0.00 C ATOM 1750 O PHE A 113 -9.897 -4.277 0.358 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.519 -6.558 -1.545 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.294 -6.501 -0.678 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.215 -7.253 0.483 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.223 -5.693 -1.023 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.089 -7.202 1.283 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.094 -5.639 -0.227 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.028 -6.393 0.928 1.00 0.00 C ATOM 0 H PHE A 113 -10.635 -7.572 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.696 -6.803 0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.535 -7.510 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.457 -5.774 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.043 -7.886 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.271 -5.099 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.039 -7.794 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.264 -5.008 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.148 -6.350 1.553 1.00 0.00 H new ATOM 1767 N SER A 114 -10.817 -4.387 -1.693 1.00 0.00 N ATOM 1768 CA SER A 114 -11.212 -2.984 -1.712 1.00 0.00 C ATOM 1769 C SER A 114 -11.967 -2.615 -0.438 1.00 0.00 C ATOM 1770 O SER A 114 -11.645 -1.628 0.224 1.00 0.00 O ATOM 1771 CB SER A 114 -12.081 -2.693 -2.936 1.00 0.00 C ATOM 1772 OG SER A 114 -12.810 -1.489 -2.770 1.00 0.00 O ATOM 0 H SER A 114 -11.065 -4.906 -2.535 1.00 0.00 H new ATOM 0 HA SER A 114 -10.307 -2.378 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.452 -2.622 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.772 -3.520 -3.100 1.00 0.00 H new ATOM 0 HG SER A 114 -12.218 -0.794 -2.414 1.00 0.00 H new ATOM 1778 N SER A 115 -12.973 -3.415 -0.101 1.00 0.00 N ATOM 1779 CA SER A 115 -13.777 -3.172 1.090 1.00 0.00 C ATOM 1780 C SER A 115 -12.941 -3.345 2.355 1.00 0.00 C ATOM 1781 O SER A 115 -12.949 -2.490 3.240 1.00 0.00 O ATOM 1782 CB SER A 115 -14.976 -4.122 1.125 1.00 0.00 C ATOM 1783 OG SER A 115 -15.872 -3.774 2.166 1.00 0.00 O ATOM 0 H SER A 115 -13.251 -4.238 -0.636 1.00 0.00 H new ATOM 0 HA SER A 115 -14.137 -2.144 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.496 -4.091 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.629 -5.146 1.267 1.00 0.00 H new ATOM 0 HG SER A 115 -16.630 -4.395 2.166 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.220 -4.459 2.432 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.376 -4.746 3.586 1.00 0.00 C ATOM 1791 C VAL A 116 -10.403 -3.603 3.853 1.00 0.00 C ATOM 1792 O VAL A 116 -10.447 -2.969 4.908 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.580 -6.049 3.390 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.636 -6.280 4.561 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.524 -7.229 3.214 1.00 0.00 C ATOM 0 H VAL A 116 -12.203 -5.178 1.709 1.00 0.00 H new ATOM 0 HA VAL A 116 -12.040 -4.861 4.443 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.980 -5.955 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -9.082 -7.206 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.937 -5.447 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.212 -6.353 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.944 -8.142 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.152 -7.328 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.153 -7.064 2.340 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.525 -3.344 2.891 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.540 -2.277 3.021 1.00 0.00 C ATOM 1807 C LEU A 117 -9.193 -0.990 3.516 1.00 0.00 C ATOM 1808 O LEU A 117 -8.751 -0.396 4.498 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.848 -2.027 1.679 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.688 -2.963 1.338 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.340 -2.866 -0.139 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.473 -2.640 2.196 1.00 0.00 C ATOM 0 H LEU A 117 -9.475 -3.859 2.012 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.796 -2.591 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.594 -2.103 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.477 -1.002 1.670 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.997 -3.986 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.512 -3.539 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.208 -3.146 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.050 -1.843 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.657 -3.316 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.163 -1.611 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.728 -2.762 3.249 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.249 -0.567 2.829 1.00 0.00 N ATOM 1825 CA ALA A 118 -10.966 0.646 3.201 1.00 0.00 C ATOM 1826 C ALA A 118 -11.242 0.683 4.700 1.00 0.00 C ATOM 1827 O ALA A 118 -11.037 1.706 5.354 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.268 0.751 2.421 1.00 0.00 C ATOM 0 H ALA A 118 -10.627 -1.047 2.012 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.336 1.500 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.793 1.662 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.051 0.780 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.895 -0.113 2.641 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.708 -0.439 5.239 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.010 -0.535 6.662 1.00 0.00 C ATOM 1836 C ALA A 119 -10.755 -0.336 7.505 1.00 0.00 C ATOM 1837 O ALA A 119 -10.803 0.279 8.569 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.652 -1.878 6.976 1.00 0.00 C ATOM 0 H ALA A 119 -11.885 -1.294 4.712 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.713 0.259 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.872 -1.936 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.577 -1.981 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.968 -2.681 6.703 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.634 -0.861 7.021 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.366 -0.742 7.732 1.00 0.00 C ATOM 1846 C GLN A 120 -7.920 0.715 7.808 1.00 0.00 C ATOM 1847 O GLN A 120 -7.480 1.186 8.858 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.290 -1.582 7.042 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.490 -3.080 7.205 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.208 -3.557 8.616 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.054 -3.735 9.005 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.265 -3.766 9.393 1.00 0.00 N ATOM 0 H GLN A 120 -9.578 -1.372 6.140 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.510 -1.112 8.747 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.277 -1.339 5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.314 -1.308 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.515 -3.337 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.837 -3.608 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.205 -3.606 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.137 -4.087 10.353 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.036 1.423 6.691 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.644 2.827 6.631 1.00 0.00 C ATOM 1863 C LEU A 121 -8.481 3.668 7.590 1.00 0.00 C ATOM 1864 O LEU A 121 -7.945 4.350 8.464 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.796 3.359 5.204 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.587 3.172 4.287 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.029 3.069 2.835 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.600 4.317 4.465 1.00 0.00 C ATOM 0 H LEU A 121 -8.398 1.049 5.814 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.598 2.899 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.655 2.870 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.026 4.423 5.257 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.088 2.242 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.155 2.936 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.697 2.216 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.552 3.981 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.746 4.167 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.088 5.260 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.258 4.345 5.500 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.798 3.611 7.424 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.710 4.364 8.276 1.00 0.00 C ATOM 1882 C LYS A 122 -10.598 3.910 9.728 1.00 0.00 C ATOM 1883 O LYS A 122 -10.534 4.731 10.643 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.152 4.197 7.789 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.453 4.959 6.510 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.934 4.914 6.171 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.180 5.241 4.706 1.00 0.00 C ATOM 1888 NZ LYS A 122 -14.315 6.706 4.479 1.00 0.00 N ATOM 0 H LYS A 122 -10.258 3.051 6.706 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.433 5.417 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.352 3.138 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.832 4.533 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.135 5.996 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.877 4.534 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.330 3.924 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.474 5.623 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.357 4.855 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.085 4.736 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -14.743 6.875 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.921 7.117 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.376 7.151 4.514 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.572 2.596 9.932 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.465 2.033 11.274 1.00 0.00 C ATOM 1904 C HIS A 123 -9.218 2.553 11.983 1.00 0.00 C ATOM 1905 O HIS A 123 -9.312 3.248 12.995 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.428 0.506 11.207 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.290 -0.149 12.547 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -11.338 -0.278 13.433 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -9.218 -0.715 13.149 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -10.917 -0.893 14.524 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -9.634 -1.169 14.377 1.00 0.00 N ATOM 0 H HIS A 123 -10.623 1.902 9.186 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.341 2.343 11.843 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -11.341 0.149 10.730 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.596 0.198 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -8.222 -0.795 12.740 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -11.519 -1.130 15.389 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -9.047 -1.642 15.064 1.00 0.00 H new ATOM 1920 N HIS A 124 -8.051 2.212 11.446 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.786 2.644 12.028 1.00 0.00 C ATOM 1922 C HIS A 124 -6.745 4.163 12.173 1.00 0.00 C ATOM 1923 O HIS A 124 -6.444 4.685 13.246 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.615 2.172 11.165 1.00 0.00 C ATOM 1925 CG HIS A 124 -5.218 0.751 11.420 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -4.793 0.297 12.651 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -5.186 -0.321 10.594 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -4.514 -0.991 12.571 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.744 -1.391 11.333 1.00 0.00 N ATOM 0 H HIS A 124 -7.955 1.638 10.609 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.700 2.199 13.019 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.881 2.283 10.114 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.757 2.819 11.347 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.457 -0.333 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.158 -1.612 13.380 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -4.614 -2.340 10.983 1.00 0.00 H new