USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 46 SER OG : rot 117:sc= 1.14 USER MOD Set 1.2: A 48 THR OG1 : rot 142:sc= 1.19 USER MOD Set 1.3: A 105 GLN : amide:sc= 0.135 K(o=2.5,f=1.7) USER MOD Single : A 44 ASN : amide:sc= -2.52! C(o=-2.5!,f=-3!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-6.2!) USER MOD Single : A 69 TYR OH : rot 142:sc= -0.301 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0751) USER MOD Single : A 85 THR OG1 : rot 78:sc= 0.0146 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -3.22! C(o=-5.3!,f=-3.2!) USER MOD Single : A 108 MET CE :methyl -149:sc= -3.8! (180deg=-6.01!) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -2.45 F(o=-4.7!,f=-2.5) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -0.415 16.080 -0.827 1.00 0.00 N ATOM 78 CA GLY A 38 -0.757 14.859 -1.533 1.00 0.00 C ATOM 79 C GLY A 38 -0.357 13.614 -0.767 1.00 0.00 C ATOM 80 O GLY A 38 0.048 12.615 -1.360 1.00 0.00 O ATOM 0 HA2 GLY A 38 -1.831 14.839 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.266 14.856 -2.506 1.00 0.00 H new ATOM 84 N ARG A 39 -0.468 13.675 0.556 1.00 0.00 N ATOM 85 CA ARG A 39 -0.112 12.545 1.406 1.00 0.00 C ATOM 86 C ARG A 39 -1.309 11.620 1.609 1.00 0.00 C ATOM 87 O ARG A 39 -2.428 12.077 1.843 1.00 0.00 O ATOM 88 CB ARG A 39 0.400 13.038 2.760 1.00 0.00 C ATOM 89 CG ARG A 39 0.385 11.971 3.842 1.00 0.00 C ATOM 90 CD ARG A 39 0.427 12.587 5.232 1.00 0.00 C ATOM 91 NE ARG A 39 1.792 12.709 5.736 1.00 0.00 N ATOM 92 CZ ARG A 39 2.098 13.270 6.901 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.141 13.759 7.677 1.00 0.00 N ATOM 94 NH2 ARG A 39 3.365 13.343 7.291 1.00 0.00 N ATOM 0 H ARG A 39 -0.802 14.495 1.063 1.00 0.00 H new ATOM 0 HA ARG A 39 0.680 11.984 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.418 13.408 2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.210 13.881 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.512 11.361 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.239 11.307 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.039 13.572 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.159 11.975 5.918 1.00 0.00 H new ATOM 0 HE ARG A 39 2.552 12.344 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.167 13.705 7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.379 14.189 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.104 12.968 6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.599 13.774 8.185 1.00 0.00 H new ATOM 108 N LEU A 40 -1.065 10.317 1.518 1.00 0.00 N ATOM 109 CA LEU A 40 -2.122 9.327 1.691 1.00 0.00 C ATOM 110 C LEU A 40 -1.687 8.229 2.657 1.00 0.00 C ATOM 111 O LEU A 40 -0.495 8.039 2.901 1.00 0.00 O ATOM 112 CB LEU A 40 -2.500 8.714 0.342 1.00 0.00 C ATOM 113 CG LEU A 40 -3.058 9.681 -0.702 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.971 9.074 -2.094 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.496 10.053 -0.370 1.00 0.00 C ATOM 0 H LEU A 40 -0.145 9.922 1.325 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.992 9.831 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.616 8.231 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.239 7.932 0.515 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.455 10.589 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.373 9.777 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.929 8.859 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.548 8.150 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.877 10.742 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.111 9.153 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.531 10.531 0.609 1.00 0.00 H new ATOM 127 N PHE A 41 -2.661 7.509 3.203 1.00 0.00 N ATOM 128 CA PHE A 41 -2.379 6.429 4.142 1.00 0.00 C ATOM 129 C PHE A 41 -2.571 5.068 3.479 1.00 0.00 C ATOM 130 O PHE A 41 -3.638 4.773 2.941 1.00 0.00 O ATOM 131 CB PHE A 41 -3.283 6.543 5.371 1.00 0.00 C ATOM 132 CG PHE A 41 -2.984 5.524 6.432 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.702 5.388 6.939 1.00 0.00 C ATOM 134 CD2 PHE A 41 -3.985 4.701 6.923 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.423 4.451 7.917 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.712 3.763 7.901 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.430 3.637 8.397 1.00 0.00 C ATOM 0 H PHE A 41 -3.652 7.654 3.012 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.339 6.517 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.179 7.541 5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.322 6.437 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.911 6.021 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.990 4.793 6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.419 4.356 8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.501 3.129 8.277 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.215 2.903 9.159 1.00 0.00 H new ATOM 147 N VAL A 42 -1.530 4.243 3.523 1.00 0.00 N ATOM 148 CA VAL A 42 -1.584 2.913 2.928 1.00 0.00 C ATOM 149 C VAL A 42 -1.315 1.833 3.970 1.00 0.00 C ATOM 150 O VAL A 42 -0.536 2.036 4.902 1.00 0.00 O ATOM 151 CB VAL A 42 -0.565 2.769 1.781 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.832 1.501 0.985 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.603 3.994 0.879 1.00 0.00 C ATOM 0 H VAL A 42 -0.639 4.472 3.964 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.590 2.786 2.529 1.00 0.00 H new ATOM 0 HB VAL A 42 0.433 2.694 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.102 1.417 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.749 0.635 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.836 1.541 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.123 3.876 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.601 4.103 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.358 4.882 1.461 1.00 0.00 H new ATOM 163 N ARG A 43 -1.964 0.685 3.805 1.00 0.00 N ATOM 164 CA ARG A 43 -1.795 -0.428 4.733 1.00 0.00 C ATOM 165 C ARG A 43 -1.816 -1.761 3.991 1.00 0.00 C ATOM 166 O ARG A 43 -1.903 -1.799 2.765 1.00 0.00 O ATOM 167 CB ARG A 43 -2.896 -0.405 5.795 1.00 0.00 C ATOM 168 CG ARG A 43 -4.286 -0.669 5.237 1.00 0.00 C ATOM 169 CD ARG A 43 -5.265 -1.045 6.338 1.00 0.00 C ATOM 170 NE ARG A 43 -5.873 0.131 6.955 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.916 0.074 7.776 1.00 0.00 C ATOM 172 NH1 ARG A 43 -7.463 -1.096 8.077 1.00 0.00 N ATOM 173 NH2 ARG A 43 -7.412 1.188 8.298 1.00 0.00 N ATOM 0 H ARG A 43 -2.611 0.501 3.038 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.827 -0.319 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.671 -1.152 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.891 0.566 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.645 0.219 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.238 -1.472 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.047 -1.683 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.747 -1.627 7.100 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.475 1.046 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.083 -1.954 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.264 -1.138 8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.993 2.089 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.213 1.143 8.928 1.00 0.00 H new ATOM 187 N ASN A 44 -1.734 -2.853 4.745 1.00 0.00 N ATOM 188 CA ASN A 44 -1.742 -4.188 4.160 1.00 0.00 C ATOM 189 C ASN A 44 -0.514 -4.403 3.279 1.00 0.00 C ATOM 190 O ASN A 44 -0.602 -5.010 2.211 1.00 0.00 O ATOM 191 CB ASN A 44 -3.016 -4.401 3.339 1.00 0.00 C ATOM 192 CG ASN A 44 -4.146 -4.982 4.166 1.00 0.00 C ATOM 193 OD1 ASN A 44 -5.001 -4.252 4.668 1.00 0.00 O ATOM 194 ND2 ASN A 44 -4.154 -6.302 4.312 1.00 0.00 N ATOM 0 H ASN A 44 -1.661 -2.839 5.762 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.716 -4.914 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.334 -3.449 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.800 -5.068 2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.889 -6.750 4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.425 -6.868 3.878 1.00 0.00 H new ATOM 201 N LEU A 45 0.629 -3.903 3.735 1.00 0.00 N ATOM 202 CA LEU A 45 1.875 -4.041 2.989 1.00 0.00 C ATOM 203 C LEU A 45 2.569 -5.356 3.328 1.00 0.00 C ATOM 204 O LEU A 45 3.046 -5.549 4.446 1.00 0.00 O ATOM 205 CB LEU A 45 2.807 -2.866 3.294 1.00 0.00 C ATOM 206 CG LEU A 45 2.679 -1.653 2.373 1.00 0.00 C ATOM 207 CD1 LEU A 45 3.200 -0.402 3.063 1.00 0.00 C ATOM 208 CD2 LEU A 45 3.424 -1.893 1.068 1.00 0.00 C ATOM 0 H LEU A 45 0.719 -3.399 4.617 1.00 0.00 H new ATOM 0 HA LEU A 45 1.636 -4.041 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.626 -2.540 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.836 -3.223 3.251 1.00 0.00 H new ATOM 0 HG LEU A 45 1.624 -1.505 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.101 0.451 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.623 -0.220 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.250 -0.540 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.322 -1.019 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.479 -2.068 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.005 -2.765 0.565 1.00 0.00 H new ATOM 220 N SER A 46 2.624 -6.258 2.353 1.00 0.00 N ATOM 221 CA SER A 46 3.259 -7.556 2.547 1.00 0.00 C ATOM 222 C SER A 46 4.698 -7.391 3.026 1.00 0.00 C ATOM 223 O SER A 46 5.467 -6.613 2.461 1.00 0.00 O ATOM 224 CB SER A 46 3.232 -8.361 1.247 1.00 0.00 C ATOM 225 OG SER A 46 4.333 -8.031 0.419 1.00 0.00 O ATOM 0 H SER A 46 2.236 -6.113 1.421 1.00 0.00 H new ATOM 0 HA SER A 46 2.699 -8.095 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.251 -9.427 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.301 -8.166 0.714 1.00 0.00 H new ATOM 0 HG SER A 46 4.905 -8.819 0.305 1.00 0.00 H new ATOM 231 N TYR A 47 5.055 -8.128 4.072 1.00 0.00 N ATOM 232 CA TYR A 47 6.401 -8.063 4.630 1.00 0.00 C ATOM 233 C TYR A 47 7.451 -8.281 3.545 1.00 0.00 C ATOM 234 O TYR A 47 8.594 -7.841 3.672 1.00 0.00 O ATOM 235 CB TYR A 47 6.569 -9.106 5.736 1.00 0.00 C ATOM 236 CG TYR A 47 5.317 -9.327 6.554 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.759 -8.296 7.300 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.691 -10.567 6.580 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.616 -8.495 8.050 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.546 -10.774 7.326 1.00 0.00 C ATOM 241 CZ TYR A 47 3.013 -9.735 8.060 1.00 0.00 C ATOM 242 OH TYR A 47 1.874 -9.936 8.804 1.00 0.00 O ATOM 0 H TYR A 47 4.431 -8.778 4.551 1.00 0.00 H new ATOM 0 HA TYR A 47 6.544 -7.069 5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.872 -10.052 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.376 -8.794 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.227 -7.323 7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.106 -11.383 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.197 -7.683 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.071 -11.744 7.334 1.00 0.00 H new ATOM 0 HH TYR A 47 1.576 -10.864 8.701 1.00 0.00 H new ATOM 252 N THR A 48 7.055 -8.965 2.476 1.00 0.00 N ATOM 253 CA THR A 48 7.960 -9.244 1.368 1.00 0.00 C ATOM 254 C THR A 48 8.260 -7.979 0.571 1.00 0.00 C ATOM 255 O THR A 48 9.368 -7.800 0.067 1.00 0.00 O ATOM 256 CB THR A 48 7.377 -10.308 0.420 1.00 0.00 C ATOM 257 OG1 THR A 48 6.343 -9.733 -0.386 1.00 0.00 O ATOM 258 CG2 THR A 48 6.819 -11.485 1.206 1.00 0.00 C ATOM 0 H THR A 48 6.113 -9.336 2.354 1.00 0.00 H new ATOM 0 HA THR A 48 8.884 -9.624 1.803 1.00 0.00 H new ATOM 0 HB THR A 48 8.180 -10.668 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.393 -10.100 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.413 -12.224 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.615 -11.939 1.796 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.029 -11.137 1.871 1.00 0.00 H new ATOM 266 N SER A 49 7.264 -7.105 0.461 1.00 0.00 N ATOM 267 CA SER A 49 7.421 -5.857 -0.278 1.00 0.00 C ATOM 268 C SER A 49 8.609 -5.059 0.250 1.00 0.00 C ATOM 269 O SER A 49 8.900 -5.075 1.445 1.00 0.00 O ATOM 270 CB SER A 49 6.145 -5.019 -0.180 1.00 0.00 C ATOM 271 OG SER A 49 6.236 -3.856 -0.984 1.00 0.00 O ATOM 0 H SER A 49 6.341 -7.238 0.874 1.00 0.00 H new ATOM 0 HA SER A 49 7.607 -6.103 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.289 -5.616 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.972 -4.735 0.858 1.00 0.00 H new ATOM 0 HG SER A 49 5.408 -3.338 -0.905 1.00 0.00 H new ATOM 277 N SER A 50 9.292 -4.361 -0.652 1.00 0.00 N ATOM 278 CA SER A 50 10.452 -3.559 -0.280 1.00 0.00 C ATOM 279 C SER A 50 10.190 -2.077 -0.532 1.00 0.00 C ATOM 280 O SER A 50 9.433 -1.714 -1.432 1.00 0.00 O ATOM 281 CB SER A 50 11.685 -4.012 -1.065 1.00 0.00 C ATOM 282 OG SER A 50 11.945 -5.389 -0.855 1.00 0.00 O ATOM 0 H SER A 50 9.062 -4.335 -1.645 1.00 0.00 H new ATOM 0 HA SER A 50 10.636 -3.702 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.532 -3.825 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.551 -3.424 -0.760 1.00 0.00 H new ATOM 0 HG SER A 50 12.736 -5.655 -1.368 1.00 0.00 H new ATOM 288 N GLU A 51 10.823 -1.227 0.270 1.00 0.00 N ATOM 289 CA GLU A 51 10.658 0.216 0.135 1.00 0.00 C ATOM 290 C GLU A 51 10.754 0.640 -1.328 1.00 0.00 C ATOM 291 O GLU A 51 10.085 1.579 -1.757 1.00 0.00 O ATOM 292 CB GLU A 51 11.715 0.952 0.961 1.00 0.00 C ATOM 293 CG GLU A 51 11.451 2.442 1.100 1.00 0.00 C ATOM 294 CD GLU A 51 12.722 3.244 1.297 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.503 2.906 2.211 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.936 4.211 0.536 1.00 0.00 O ATOM 0 H GLU A 51 11.454 -1.512 1.019 1.00 0.00 H new ATOM 0 HA GLU A 51 9.668 0.479 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.763 0.506 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.691 0.806 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.934 2.800 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.784 2.612 1.945 1.00 0.00 H new ATOM 303 N GLU A 52 11.592 -0.060 -2.087 1.00 0.00 N ATOM 304 CA GLU A 52 11.776 0.245 -3.501 1.00 0.00 C ATOM 305 C GLU A 52 10.540 -0.145 -4.307 1.00 0.00 C ATOM 306 O GLU A 52 9.927 0.694 -4.968 1.00 0.00 O ATOM 307 CB GLU A 52 13.006 -0.484 -4.047 1.00 0.00 C ATOM 308 CG GLU A 52 13.265 -0.221 -5.521 1.00 0.00 C ATOM 309 CD GLU A 52 14.007 1.080 -5.760 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.852 1.445 -4.916 1.00 0.00 O ATOM 311 OE2 GLU A 52 13.741 1.733 -6.791 1.00 0.00 O ATOM 0 H GLU A 52 12.153 -0.841 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 52 11.927 1.320 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.882 -0.181 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.880 -1.556 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.843 -1.046 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.315 -0.196 -6.054 1.00 0.00 H new ATOM 318 N ASP A 53 10.182 -1.422 -4.248 1.00 0.00 N ATOM 319 CA ASP A 53 9.020 -1.925 -4.972 1.00 0.00 C ATOM 320 C ASP A 53 7.858 -0.940 -4.885 1.00 0.00 C ATOM 321 O ASP A 53 7.194 -0.657 -5.883 1.00 0.00 O ATOM 322 CB ASP A 53 8.594 -3.285 -4.415 1.00 0.00 C ATOM 323 CG ASP A 53 9.682 -4.332 -4.551 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.873 -3.969 -4.447 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.343 -5.515 -4.762 1.00 0.00 O ATOM 0 H ASP A 53 10.680 -2.129 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 53 9.298 -2.041 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.327 -3.177 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.700 -3.624 -4.937 1.00 0.00 H new ATOM 330 N LEU A 54 7.617 -0.421 -3.686 1.00 0.00 N ATOM 331 CA LEU A 54 6.534 0.532 -3.468 1.00 0.00 C ATOM 332 C LEU A 54 6.772 1.815 -4.257 1.00 0.00 C ATOM 333 O LEU A 54 5.914 2.249 -5.026 1.00 0.00 O ATOM 334 CB LEU A 54 6.403 0.853 -1.978 1.00 0.00 C ATOM 335 CG LEU A 54 5.652 -0.177 -1.133 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.757 0.166 0.345 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.194 -0.256 -1.562 1.00 0.00 C ATOM 0 H LEU A 54 8.157 -0.644 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 54 5.607 0.078 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.404 0.973 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.898 1.814 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 54 6.111 -1.153 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.217 -0.578 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.805 0.171 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.324 1.151 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.674 -0.994 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.723 0.719 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.139 -0.550 -2.610 1.00 0.00 H new ATOM 349 N GLU A 55 7.942 2.416 -4.063 1.00 0.00 N ATOM 350 CA GLU A 55 8.291 3.649 -4.758 1.00 0.00 C ATOM 351 C GLU A 55 7.832 3.602 -6.213 1.00 0.00 C ATOM 352 O GLU A 55 7.372 4.603 -6.763 1.00 0.00 O ATOM 353 CB GLU A 55 9.802 3.884 -4.696 1.00 0.00 C ATOM 354 CG GLU A 55 10.267 4.512 -3.393 1.00 0.00 C ATOM 355 CD GLU A 55 11.709 4.977 -3.451 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.608 4.115 -3.541 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.938 6.204 -3.409 1.00 0.00 O ATOM 0 H GLU A 55 8.663 2.069 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 55 7.781 4.474 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.315 2.932 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.095 4.528 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.625 5.360 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.155 3.789 -2.585 1.00 0.00 H new ATOM 364 N LYS A 56 7.961 2.433 -6.831 1.00 0.00 N ATOM 365 CA LYS A 56 7.559 2.253 -8.221 1.00 0.00 C ATOM 366 C LYS A 56 6.047 2.086 -8.333 1.00 0.00 C ATOM 367 O LYS A 56 5.416 2.641 -9.233 1.00 0.00 O ATOM 368 CB LYS A 56 8.264 1.035 -8.823 1.00 0.00 C ATOM 369 CG LYS A 56 9.693 1.312 -9.256 1.00 0.00 C ATOM 370 CD LYS A 56 10.372 0.056 -9.776 1.00 0.00 C ATOM 371 CE LYS A 56 11.039 -0.722 -8.652 1.00 0.00 C ATOM 372 NZ LYS A 56 11.639 -1.995 -9.139 1.00 0.00 N ATOM 0 H LYS A 56 8.341 1.595 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 56 7.850 3.145 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.265 0.228 -8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.694 0.684 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.697 2.077 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.259 1.710 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.637 -0.578 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.117 0.327 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.814 -0.107 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.305 -0.940 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.084 -2.496 -8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.896 -2.593 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.357 -1.786 -9.861 1.00 0.00 H new ATOM 386 N LEU A 57 5.472 1.319 -7.414 1.00 0.00 N ATOM 387 CA LEU A 57 4.033 1.079 -7.408 1.00 0.00 C ATOM 388 C LEU A 57 3.262 2.391 -7.522 1.00 0.00 C ATOM 389 O LEU A 57 2.458 2.574 -8.436 1.00 0.00 O ATOM 390 CB LEU A 57 3.623 0.343 -6.132 1.00 0.00 C ATOM 391 CG LEU A 57 2.140 0.412 -5.764 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.299 -0.320 -6.798 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.908 -0.169 -4.377 1.00 0.00 C ATOM 0 H LEU A 57 5.980 0.852 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 57 3.790 0.459 -8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.903 -0.705 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.202 0.747 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 57 1.836 1.459 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.247 -0.260 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.442 0.140 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.604 -1.366 -6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.848 -0.112 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.229 -1.211 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.481 0.399 -3.644 1.00 0.00 H new ATOM 405 N PHE A 58 3.515 3.302 -6.588 1.00 0.00 N ATOM 406 CA PHE A 58 2.847 4.598 -6.584 1.00 0.00 C ATOM 407 C PHE A 58 3.410 5.505 -7.674 1.00 0.00 C ATOM 408 O PHE A 58 2.662 6.097 -8.452 1.00 0.00 O ATOM 409 CB PHE A 58 2.999 5.270 -5.217 1.00 0.00 C ATOM 410 CG PHE A 58 2.294 4.541 -4.109 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.919 4.632 -3.966 1.00 0.00 C ATOM 412 CD2 PHE A 58 3.007 3.763 -3.211 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.268 3.963 -2.947 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.362 3.091 -2.190 1.00 0.00 C ATOM 415 CZ PHE A 58 0.990 3.190 -2.059 1.00 0.00 C ATOM 0 H PHE A 58 4.178 3.167 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 58 1.788 4.433 -6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.059 5.346 -4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.612 6.287 -5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.349 5.233 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.079 3.681 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.804 4.045 -2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.930 2.489 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.483 2.664 -1.264 1.00 0.00 H new ATOM 425 N SER A 59 4.734 5.608 -7.724 1.00 0.00 N ATOM 426 CA SER A 59 5.399 6.445 -8.715 1.00 0.00 C ATOM 427 C SER A 59 4.659 6.401 -10.048 1.00 0.00 C ATOM 428 O SER A 59 4.562 7.407 -10.750 1.00 0.00 O ATOM 429 CB SER A 59 6.848 5.992 -8.908 1.00 0.00 C ATOM 430 OG SER A 59 7.379 6.485 -10.126 1.00 0.00 O ATOM 0 H SER A 59 5.368 5.122 -7.089 1.00 0.00 H new ATOM 0 HA SER A 59 5.393 7.472 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.456 6.343 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.896 4.903 -8.901 1.00 0.00 H new ATOM 0 HG SER A 59 8.306 6.183 -10.225 1.00 0.00 H new ATOM 436 N ALA A 60 4.138 5.227 -10.390 1.00 0.00 N ATOM 437 CA ALA A 60 3.404 5.051 -11.637 1.00 0.00 C ATOM 438 C ALA A 60 2.302 6.096 -11.778 1.00 0.00 C ATOM 439 O ALA A 60 2.185 6.753 -12.813 1.00 0.00 O ATOM 440 CB ALA A 60 2.817 3.649 -11.710 1.00 0.00 C ATOM 0 H ALA A 60 4.211 4.384 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 60 4.103 5.184 -12.463 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.271 3.531 -12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.621 2.915 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.137 3.495 -10.872 1.00 0.00 H new ATOM 446 N TYR A 61 1.496 6.244 -10.733 1.00 0.00 N ATOM 447 CA TYR A 61 0.402 7.207 -10.742 1.00 0.00 C ATOM 448 C TYR A 61 0.928 8.628 -10.919 1.00 0.00 C ATOM 449 O TYR A 61 0.285 9.466 -11.550 1.00 0.00 O ATOM 450 CB TYR A 61 -0.404 7.107 -9.445 1.00 0.00 C ATOM 451 CG TYR A 61 -1.198 5.827 -9.322 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.461 5.712 -9.891 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.686 4.731 -8.637 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.190 4.544 -9.781 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.408 3.559 -8.524 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.660 3.471 -9.097 1.00 0.00 C ATOM 457 OH TYR A 61 -3.383 2.305 -8.985 1.00 0.00 O ATOM 0 H TYR A 61 1.580 5.709 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.248 6.972 -11.585 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.277 7.185 -8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.086 7.955 -9.385 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.879 6.550 -10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.293 4.797 -8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.170 4.472 -10.229 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.995 2.716 -7.990 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.866 1.648 -8.474 1.00 0.00 H new ATOM 467 N GLY A 62 2.104 8.891 -10.356 1.00 0.00 N ATOM 468 CA GLY A 62 2.698 10.211 -10.463 1.00 0.00 C ATOM 469 C GLY A 62 4.027 10.308 -9.741 1.00 0.00 C ATOM 470 O GLY A 62 4.483 9.358 -9.104 1.00 0.00 O ATOM 0 H GLY A 62 2.655 8.214 -9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.841 10.458 -11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.010 10.950 -10.053 1.00 0.00 H new ATOM 474 N PRO A 63 4.672 11.480 -9.836 1.00 0.00 N ATOM 475 CA PRO A 63 5.967 11.726 -9.193 1.00 0.00 C ATOM 476 C PRO A 63 5.855 11.799 -7.674 1.00 0.00 C ATOM 477 O PRO A 63 5.249 12.722 -7.129 1.00 0.00 O ATOM 478 CB PRO A 63 6.394 13.080 -9.763 1.00 0.00 C ATOM 479 CG PRO A 63 5.120 13.753 -10.140 1.00 0.00 C ATOM 480 CD PRO A 63 4.187 12.656 -10.577 1.00 0.00 C ATOM 0 HA PRO A 63 6.678 10.923 -9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.946 13.663 -9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.047 12.957 -10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.706 14.305 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.281 14.472 -10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.151 12.887 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.230 12.498 -11.655 1.00 0.00 H new ATOM 488 N LEU A 64 6.444 10.821 -6.995 1.00 0.00 N ATOM 489 CA LEU A 64 6.411 10.774 -5.537 1.00 0.00 C ATOM 490 C LEU A 64 7.281 11.874 -4.937 1.00 0.00 C ATOM 491 O LEU A 64 8.363 12.169 -5.444 1.00 0.00 O ATOM 492 CB LEU A 64 6.884 9.407 -5.040 1.00 0.00 C ATOM 493 CG LEU A 64 6.155 8.193 -5.619 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.788 6.903 -5.121 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.677 8.238 -5.259 1.00 0.00 C ATOM 0 H LEU A 64 6.950 10.050 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 64 5.382 10.934 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.946 9.309 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.784 9.383 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 64 6.245 8.222 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.256 6.050 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.833 6.868 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.729 6.865 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.174 7.367 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.566 8.233 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.231 9.146 -5.665 1.00 0.00 H new ATOM 507 N SER A 65 6.801 12.477 -3.854 1.00 0.00 N ATOM 508 CA SER A 65 7.534 13.546 -3.186 1.00 0.00 C ATOM 509 C SER A 65 8.370 12.994 -2.035 1.00 0.00 C ATOM 510 O SER A 65 9.517 13.394 -1.841 1.00 0.00 O ATOM 511 CB SER A 65 6.565 14.608 -2.664 1.00 0.00 C ATOM 512 OG SER A 65 7.255 15.789 -2.292 1.00 0.00 O ATOM 0 H SER A 65 5.908 12.243 -3.421 1.00 0.00 H new ATOM 0 HA SER A 65 8.205 14.003 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.827 14.841 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.019 14.216 -1.806 1.00 0.00 H new ATOM 0 HG SER A 65 6.613 16.453 -1.963 1.00 0.00 H new ATOM 518 N GLU A 66 7.786 12.073 -1.276 1.00 0.00 N ATOM 519 CA GLU A 66 8.476 11.466 -0.143 1.00 0.00 C ATOM 520 C GLU A 66 7.772 10.188 0.302 1.00 0.00 C ATOM 521 O GLU A 66 6.557 10.173 0.503 1.00 0.00 O ATOM 522 CB GLU A 66 8.553 12.453 1.024 1.00 0.00 C ATOM 523 CG GLU A 66 8.791 11.788 2.369 1.00 0.00 C ATOM 524 CD GLU A 66 9.554 12.676 3.332 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.538 13.313 2.901 1.00 0.00 O ATOM 526 OE2 GLU A 66 9.165 12.735 4.518 1.00 0.00 O ATOM 0 H GLU A 66 6.837 11.730 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 66 9.487 11.211 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.355 13.166 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.625 13.023 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.832 11.518 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.345 10.861 2.219 1.00 0.00 H new ATOM 533 N LEU A 67 8.543 9.117 0.454 1.00 0.00 N ATOM 534 CA LEU A 67 7.995 7.833 0.876 1.00 0.00 C ATOM 535 C LEU A 67 8.397 7.514 2.312 1.00 0.00 C ATOM 536 O LEU A 67 9.476 7.898 2.766 1.00 0.00 O ATOM 537 CB LEU A 67 8.473 6.720 -0.059 1.00 0.00 C ATOM 538 CG LEU A 67 7.766 5.372 0.086 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.412 5.402 -0.606 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.630 4.254 -0.478 1.00 0.00 C ATOM 0 H LEU A 67 9.550 9.112 0.291 1.00 0.00 H new ATOM 0 HA LEU A 67 6.908 7.897 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.355 7.061 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.540 6.568 0.106 1.00 0.00 H new ATOM 0 HG LEU A 67 7.605 5.180 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.924 4.434 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.791 6.177 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.550 5.617 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.111 3.302 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.823 4.441 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.576 4.217 0.062 1.00 0.00 H new ATOM 552 N HIS A 68 7.525 6.806 3.023 1.00 0.00 N ATOM 553 CA HIS A 68 7.791 6.432 4.407 1.00 0.00 C ATOM 554 C HIS A 68 7.485 4.956 4.640 1.00 0.00 C ATOM 555 O HIS A 68 6.326 4.569 4.797 1.00 0.00 O ATOM 556 CB HIS A 68 6.959 7.293 5.359 1.00 0.00 C ATOM 557 CG HIS A 68 6.919 6.768 6.761 1.00 0.00 C ATOM 558 ND1 HIS A 68 6.102 5.728 7.151 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.601 7.145 7.868 1.00 0.00 C ATOM 560 CE1 HIS A 68 6.283 5.488 8.438 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.188 6.334 8.896 1.00 0.00 N ATOM 0 H HIS A 68 6.628 6.480 2.663 1.00 0.00 H new ATOM 0 HA HIS A 68 8.849 6.601 4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.365 8.304 5.370 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.941 7.363 4.977 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.459 5.223 6.542 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.333 7.936 7.931 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.777 4.729 9.017 1.00 0.00 H new ATOM 570 N TYR A 69 8.530 4.136 4.660 1.00 0.00 N ATOM 571 CA TYR A 69 8.372 2.702 4.870 1.00 0.00 C ATOM 572 C TYR A 69 8.925 2.287 6.230 1.00 0.00 C ATOM 573 O TYR A 69 10.126 2.076 6.403 1.00 0.00 O ATOM 574 CB TYR A 69 9.079 1.922 3.760 1.00 0.00 C ATOM 575 CG TYR A 69 8.562 0.512 3.586 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.204 0.265 3.424 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.430 -0.573 3.586 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.727 -1.022 3.266 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.961 -1.862 3.427 1.00 0.00 C ATOM 580 CZ TYR A 69 7.609 -2.082 3.267 1.00 0.00 C ATOM 581 OH TYR A 69 7.138 -3.365 3.110 1.00 0.00 O ATOM 0 H TYR A 69 9.495 4.440 4.533 1.00 0.00 H new ATOM 0 HA TYR A 69 7.307 2.472 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.964 2.461 2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.146 1.884 3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.510 1.093 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.489 -0.405 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.668 -1.197 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.650 -2.694 3.428 1.00 0.00 H new ATOM 0 HH TYR A 69 7.761 -3.876 2.552 1.00 0.00 H new ATOM 591 N PRO A 70 8.028 2.165 7.220 1.00 0.00 N ATOM 592 CA PRO A 70 8.401 1.773 8.582 1.00 0.00 C ATOM 593 C PRO A 70 8.838 0.314 8.666 1.00 0.00 C ATOM 594 O PRO A 70 8.226 -0.563 8.055 1.00 0.00 O ATOM 595 CB PRO A 70 7.113 1.993 9.379 1.00 0.00 C ATOM 596 CG PRO A 70 6.020 1.869 8.375 1.00 0.00 C ATOM 597 CD PRO A 70 6.581 2.401 7.085 1.00 0.00 C ATOM 0 HA PRO A 70 9.251 2.346 8.953 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.007 1.253 10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.104 2.974 9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.706 0.831 8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.142 2.437 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.168 1.880 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.357 3.460 6.956 1.00 0.00 H new ATOM 605 N ILE A 71 9.898 0.062 9.427 1.00 0.00 N ATOM 606 CA ILE A 71 10.414 -1.291 9.591 1.00 0.00 C ATOM 607 C ILE A 71 10.944 -1.509 11.005 1.00 0.00 C ATOM 608 O ILE A 71 11.798 -0.760 11.481 1.00 0.00 O ATOM 609 CB ILE A 71 11.537 -1.592 8.582 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.080 -1.256 7.161 1.00 0.00 C ATOM 611 CG2 ILE A 71 11.959 -3.051 8.677 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.125 -2.274 6.577 1.00 0.00 C ATOM 0 H ILE A 71 10.416 0.776 9.939 1.00 0.00 H new ATOM 0 HA ILE A 71 9.582 -1.970 9.408 1.00 0.00 H new ATOM 0 HB ILE A 71 12.398 -0.969 8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.598 -0.278 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.955 -1.178 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.754 -3.248 7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.321 -3.260 9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.105 -3.692 8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.843 -1.972 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.610 -3.249 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.233 -2.335 7.200 1.00 0.00 H new ATOM 624 N ASP A 72 10.434 -2.539 11.670 1.00 0.00 N ATOM 625 CA ASP A 72 10.858 -2.858 13.028 1.00 0.00 C ATOM 626 C ASP A 72 12.360 -3.118 13.082 1.00 0.00 C ATOM 627 O ASP A 72 12.904 -3.845 12.250 1.00 0.00 O ATOM 628 CB ASP A 72 10.097 -4.079 13.549 1.00 0.00 C ATOM 629 CG ASP A 72 8.811 -3.701 14.257 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.872 -2.884 15.200 1.00 0.00 O ATOM 631 OD2 ASP A 72 7.745 -4.223 13.870 1.00 0.00 O ATOM 0 H ASP A 72 9.726 -3.168 11.291 1.00 0.00 H new ATOM 0 HA ASP A 72 10.633 -2.001 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.868 -4.743 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.736 -4.636 14.235 1.00 0.00 H new ATOM 636 N SER A 73 13.024 -2.519 14.065 1.00 0.00 N ATOM 637 CA SER A 73 14.465 -2.682 14.224 1.00 0.00 C ATOM 638 C SER A 73 14.789 -4.005 14.910 1.00 0.00 C ATOM 639 O SER A 73 15.956 -4.367 15.067 1.00 0.00 O ATOM 640 CB SER A 73 15.044 -1.519 15.032 1.00 0.00 C ATOM 641 OG SER A 73 16.406 -1.302 14.708 1.00 0.00 O ATOM 0 H SER A 73 12.588 -1.917 14.763 1.00 0.00 H new ATOM 0 HA SER A 73 14.918 -2.687 13.233 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.471 -0.613 14.834 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.949 -1.729 16.097 1.00 0.00 H new ATOM 0 HG SER A 73 16.753 -0.553 15.236 1.00 0.00 H new ATOM 647 N LEU A 74 13.749 -4.724 15.317 1.00 0.00 N ATOM 648 CA LEU A 74 13.921 -6.008 15.988 1.00 0.00 C ATOM 649 C LEU A 74 13.745 -7.162 15.006 1.00 0.00 C ATOM 650 O LEU A 74 14.632 -8.002 14.852 1.00 0.00 O ATOM 651 CB LEU A 74 12.922 -6.144 17.138 1.00 0.00 C ATOM 652 CG LEU A 74 12.941 -5.024 18.179 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.683 -5.069 19.033 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.184 -5.127 19.051 1.00 0.00 C ATOM 0 H LEU A 74 12.777 -4.440 15.194 1.00 0.00 H new ATOM 0 HA LEU A 74 14.933 -6.048 16.390 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.919 -6.204 16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.111 -7.089 17.647 1.00 0.00 H new ATOM 0 HG LEU A 74 12.967 -4.068 17.656 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.713 -4.265 19.768 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.807 -4.946 18.397 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.626 -6.029 19.547 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.181 -4.322 19.786 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.189 -6.088 19.565 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.074 -5.045 18.427 1.00 0.00 H new ATOM 666 N THR A 75 12.594 -7.197 14.342 1.00 0.00 N ATOM 667 CA THR A 75 12.301 -8.247 13.375 1.00 0.00 C ATOM 668 C THR A 75 12.776 -7.858 11.980 1.00 0.00 C ATOM 669 O THR A 75 12.816 -8.688 11.072 1.00 0.00 O ATOM 670 CB THR A 75 10.793 -8.558 13.323 1.00 0.00 C ATOM 671 OG1 THR A 75 10.117 -7.573 12.534 1.00 0.00 O ATOM 672 CG2 THR A 75 10.198 -8.590 14.722 1.00 0.00 C ATOM 0 H THR A 75 11.849 -6.510 14.457 1.00 0.00 H new ATOM 0 HA THR A 75 12.837 -9.137 13.703 1.00 0.00 H new ATOM 0 HB THR A 75 10.663 -9.540 12.868 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.159 -7.779 12.504 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.133 -8.811 14.659 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.695 -9.361 15.311 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.340 -7.621 15.200 1.00 0.00 H new ATOM 680 N LYS A 76 13.137 -6.590 11.816 1.00 0.00 N ATOM 681 CA LYS A 76 13.613 -6.090 10.531 1.00 0.00 C ATOM 682 C LYS A 76 12.540 -6.240 9.458 1.00 0.00 C ATOM 683 O LYS A 76 12.847 -6.397 8.276 1.00 0.00 O ATOM 684 CB LYS A 76 14.881 -6.835 10.108 1.00 0.00 C ATOM 685 CG LYS A 76 16.039 -6.663 11.076 1.00 0.00 C ATOM 686 CD LYS A 76 16.817 -5.389 10.794 1.00 0.00 C ATOM 687 CE LYS A 76 18.124 -5.351 11.571 1.00 0.00 C ATOM 688 NZ LYS A 76 18.948 -4.163 11.212 1.00 0.00 N ATOM 0 H LYS A 76 13.109 -5.889 12.557 1.00 0.00 H new ATOM 0 HA LYS A 76 13.843 -5.031 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.654 -7.897 10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.187 -6.484 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.660 -6.640 12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.706 -7.522 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.025 -5.317 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.209 -4.524 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.911 -5.336 12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.691 -6.260 11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.830 -4.173 11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.173 -4.190 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.417 -3.295 11.425 1.00 0.00 H new ATOM 702 N LYS A 77 11.280 -6.190 9.876 1.00 0.00 N ATOM 703 CA LYS A 77 10.160 -6.318 8.950 1.00 0.00 C ATOM 704 C LYS A 77 9.084 -5.280 9.252 1.00 0.00 C ATOM 705 O LYS A 77 8.860 -4.899 10.401 1.00 0.00 O ATOM 706 CB LYS A 77 9.564 -7.725 9.030 1.00 0.00 C ATOM 707 CG LYS A 77 10.522 -8.817 8.587 1.00 0.00 C ATOM 708 CD LYS A 77 9.867 -10.188 8.640 1.00 0.00 C ATOM 709 CE LYS A 77 10.805 -11.273 8.134 1.00 0.00 C ATOM 710 NZ LYS A 77 10.705 -11.448 6.659 1.00 0.00 N ATOM 0 H LYS A 77 11.008 -6.062 10.851 1.00 0.00 H new ATOM 0 HA LYS A 77 10.533 -6.145 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.252 -7.921 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.668 -7.767 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.862 -8.614 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.405 -8.809 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.570 -10.411 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.958 -10.182 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.831 -11.020 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.570 -12.216 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.359 -12.196 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.732 -11.714 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.954 -10.556 6.186 1.00 0.00 H new ATOM 724 N PRO A 78 8.399 -4.812 8.198 1.00 0.00 N ATOM 725 CA PRO A 78 7.333 -3.814 8.325 1.00 0.00 C ATOM 726 C PRO A 78 6.091 -4.377 9.006 1.00 0.00 C ATOM 727 O PRO A 78 5.860 -5.586 8.999 1.00 0.00 O ATOM 728 CB PRO A 78 7.024 -3.438 6.874 1.00 0.00 C ATOM 729 CG PRO A 78 7.434 -4.629 6.078 1.00 0.00 C ATOM 730 CD PRO A 78 8.613 -5.223 6.800 1.00 0.00 C ATOM 0 HA PRO A 78 7.637 -2.969 8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.965 -3.217 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.576 -2.549 6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.619 -5.349 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.702 -4.345 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.641 -6.308 6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.557 -4.843 6.409 1.00 0.00 H new ATOM 738 N LYS A 79 5.292 -3.493 9.594 1.00 0.00 N ATOM 739 CA LYS A 79 4.071 -3.900 10.279 1.00 0.00 C ATOM 740 C LYS A 79 2.902 -3.985 9.302 1.00 0.00 C ATOM 741 O LYS A 79 1.818 -4.446 9.656 1.00 0.00 O ATOM 742 CB LYS A 79 3.740 -2.916 11.403 1.00 0.00 C ATOM 743 CG LYS A 79 4.859 -2.751 12.417 1.00 0.00 C ATOM 744 CD LYS A 79 5.954 -1.836 11.895 1.00 0.00 C ATOM 745 CE LYS A 79 6.768 -1.236 13.031 1.00 0.00 C ATOM 746 NZ LYS A 79 7.645 -0.129 12.561 1.00 0.00 N ATOM 0 H LYS A 79 5.469 -2.489 9.610 1.00 0.00 H new ATOM 0 HA LYS A 79 4.236 -4.889 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.510 -1.944 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.841 -3.255 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.454 -2.344 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.282 -3.727 12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.612 -2.397 11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.510 -1.036 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.094 -0.863 13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.379 -2.013 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.268 0.174 13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.223 -0.459 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.058 0.673 12.256 1.00 0.00 H new ATOM 760 N GLY A 80 3.132 -3.538 8.071 1.00 0.00 N ATOM 761 CA GLY A 80 2.089 -3.574 7.063 1.00 0.00 C ATOM 762 C GLY A 80 1.416 -2.228 6.876 1.00 0.00 C ATOM 763 O GLY A 80 0.204 -2.155 6.676 1.00 0.00 O ATOM 0 H GLY A 80 4.021 -3.152 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.516 -3.898 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.341 -4.315 7.345 1.00 0.00 H new ATOM 767 N PHE A 81 2.204 -1.161 6.943 1.00 0.00 N ATOM 768 CA PHE A 81 1.678 0.190 6.782 1.00 0.00 C ATOM 769 C PHE A 81 2.791 1.168 6.419 1.00 0.00 C ATOM 770 O PHE A 81 3.953 0.960 6.768 1.00 0.00 O ATOM 771 CB PHE A 81 0.982 0.645 8.067 1.00 0.00 C ATOM 772 CG PHE A 81 1.900 1.340 9.032 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.736 0.610 9.860 1.00 0.00 C ATOM 774 CD2 PHE A 81 1.926 2.723 9.110 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.581 1.246 10.750 1.00 0.00 C ATOM 776 CE2 PHE A 81 2.769 3.365 9.997 1.00 0.00 C ATOM 777 CZ PHE A 81 3.598 2.626 10.817 1.00 0.00 C ATOM 0 H PHE A 81 3.210 -1.205 7.108 1.00 0.00 H new ATOM 0 HA PHE A 81 0.952 0.176 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.163 1.317 7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.540 -0.222 8.558 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.728 -0.469 9.810 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.280 3.306 8.470 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.227 0.665 11.392 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.779 4.444 10.049 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.259 3.126 11.510 1.00 0.00 H new ATOM 787 N ALA A 82 2.427 2.235 5.716 1.00 0.00 N ATOM 788 CA ALA A 82 3.393 3.247 5.306 1.00 0.00 C ATOM 789 C ALA A 82 2.698 4.555 4.945 1.00 0.00 C ATOM 790 O ALA A 82 1.472 4.652 4.990 1.00 0.00 O ATOM 791 CB ALA A 82 4.219 2.743 4.132 1.00 0.00 C ATOM 0 H ALA A 82 1.469 2.421 5.418 1.00 0.00 H new ATOM 0 HA ALA A 82 4.059 3.441 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.936 3.509 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.753 1.839 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.560 2.520 3.293 1.00 0.00 H new ATOM 797 N PHE A 83 3.490 5.561 4.587 1.00 0.00 N ATOM 798 CA PHE A 83 2.951 6.865 4.219 1.00 0.00 C ATOM 799 C PHE A 83 3.554 7.352 2.905 1.00 0.00 C ATOM 800 O PHE A 83 4.772 7.472 2.774 1.00 0.00 O ATOM 801 CB PHE A 83 3.224 7.884 5.327 1.00 0.00 C ATOM 802 CG PHE A 83 2.141 7.944 6.367 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.961 8.626 6.119 1.00 0.00 C ATOM 804 CD2 PHE A 83 2.304 7.318 7.592 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.037 8.683 7.073 1.00 0.00 C ATOM 806 CE2 PHE A 83 1.309 7.370 8.550 1.00 0.00 C ATOM 807 CZ PHE A 83 0.138 8.055 8.291 1.00 0.00 C ATOM 0 H PHE A 83 4.507 5.498 4.544 1.00 0.00 H new ATOM 0 HA PHE A 83 1.874 6.761 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.169 7.637 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.343 8.871 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.819 9.119 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.219 6.783 7.801 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.952 9.218 6.867 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.447 6.875 9.500 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.639 8.100 9.039 1.00 0.00 H new ATOM 817 N VAL A 84 2.691 7.630 1.932 1.00 0.00 N ATOM 818 CA VAL A 84 3.138 8.104 0.627 1.00 0.00 C ATOM 819 C VAL A 84 2.767 9.569 0.419 1.00 0.00 C ATOM 820 O VAL A 84 1.601 9.948 0.526 1.00 0.00 O ATOM 821 CB VAL A 84 2.530 7.265 -0.512 1.00 0.00 C ATOM 822 CG1 VAL A 84 3.183 7.617 -1.841 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.673 5.780 -0.215 1.00 0.00 C ATOM 0 H VAL A 84 1.679 7.535 2.023 1.00 0.00 H new ATOM 0 HA VAL A 84 4.223 8.000 0.606 1.00 0.00 H new ATOM 0 HB VAL A 84 1.467 7.497 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.741 7.014 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.024 8.674 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.253 7.415 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.238 5.202 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.729 5.529 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.155 5.543 0.714 1.00 0.00 H new ATOM 833 N THR A 85 3.769 10.390 0.120 1.00 0.00 N ATOM 834 CA THR A 85 3.550 11.813 -0.103 1.00 0.00 C ATOM 835 C THR A 85 3.781 12.183 -1.564 1.00 0.00 C ATOM 836 O THR A 85 4.922 12.300 -2.013 1.00 0.00 O ATOM 837 CB THR A 85 4.474 12.669 0.783 1.00 0.00 C ATOM 838 OG1 THR A 85 4.598 12.075 2.080 1.00 0.00 O ATOM 839 CG2 THR A 85 3.934 14.085 0.919 1.00 0.00 C ATOM 0 H THR A 85 4.740 10.093 0.027 1.00 0.00 H new ATOM 0 HA THR A 85 2.513 12.018 0.161 1.00 0.00 H new ATOM 0 HB THR A 85 5.454 12.714 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.217 11.317 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.603 14.671 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.868 14.546 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.943 14.055 1.372 1.00 0.00 H new ATOM 847 N PHE A 86 2.691 12.366 -2.302 1.00 0.00 N ATOM 848 CA PHE A 86 2.775 12.723 -3.714 1.00 0.00 C ATOM 849 C PHE A 86 3.106 14.203 -3.882 1.00 0.00 C ATOM 850 O PHE A 86 2.874 15.008 -2.981 1.00 0.00 O ATOM 851 CB PHE A 86 1.459 12.399 -4.423 1.00 0.00 C ATOM 852 CG PHE A 86 1.261 10.932 -4.679 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.716 10.112 -3.705 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.621 10.374 -5.895 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.533 8.762 -3.938 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.439 9.025 -6.135 1.00 0.00 C ATOM 857 CZ PHE A 86 0.896 8.218 -5.154 1.00 0.00 C ATOM 0 H PHE A 86 1.740 12.273 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 86 3.576 12.137 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.630 12.770 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.426 12.933 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.431 10.532 -2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.049 11.000 -6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.107 8.134 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.721 8.602 -7.088 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.756 7.163 -5.338 1.00 0.00 H new ATOM 867 N MET A 87 3.650 14.553 -5.043 1.00 0.00 N ATOM 868 CA MET A 87 4.012 15.936 -5.331 1.00 0.00 C ATOM 869 C MET A 87 2.771 16.775 -5.618 1.00 0.00 C ATOM 870 O MET A 87 2.631 17.888 -5.112 1.00 0.00 O ATOM 871 CB MET A 87 4.971 15.998 -6.522 1.00 0.00 C ATOM 872 CG MET A 87 6.417 15.712 -6.153 1.00 0.00 C ATOM 873 SD MET A 87 7.586 16.411 -7.335 1.00 0.00 S ATOM 874 CE MET A 87 8.449 17.591 -6.300 1.00 0.00 C ATOM 0 H MET A 87 3.850 13.898 -5.799 1.00 0.00 H new ATOM 0 HA MET A 87 4.510 16.345 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.648 15.280 -7.276 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.909 16.987 -6.977 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.622 16.117 -5.162 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.567 14.634 -6.094 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.207 18.106 -6.890 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.739 18.319 -5.907 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.927 17.067 -5.472 1.00 0.00 H new ATOM 884 N PHE A 88 1.872 16.233 -6.434 1.00 0.00 N ATOM 885 CA PHE A 88 0.643 16.933 -6.790 1.00 0.00 C ATOM 886 C PHE A 88 -0.571 16.249 -6.168 1.00 0.00 C ATOM 887 O PHE A 88 -0.635 15.025 -6.054 1.00 0.00 O ATOM 888 CB PHE A 88 0.486 16.991 -8.310 1.00 0.00 C ATOM 889 CG PHE A 88 1.682 17.566 -9.015 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.849 16.829 -9.140 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.640 18.843 -9.551 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.951 17.355 -9.788 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.738 19.373 -10.200 1.00 0.00 C ATOM 894 CZ PHE A 88 3.896 18.629 -10.318 1.00 0.00 C ATOM 0 H PHE A 88 1.972 15.312 -6.861 1.00 0.00 H new ATOM 0 HA PHE A 88 0.706 17.949 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.301 15.985 -8.687 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.392 17.589 -8.554 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.898 15.833 -8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.738 19.431 -9.460 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.854 16.770 -9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.691 20.369 -10.615 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.756 19.043 -10.823 1.00 0.00 H new ATOM 904 N PRO A 89 -1.558 17.058 -5.755 1.00 0.00 N ATOM 905 CA PRO A 89 -2.789 16.554 -5.138 1.00 0.00 C ATOM 906 C PRO A 89 -3.677 15.817 -6.134 1.00 0.00 C ATOM 907 O PRO A 89 -4.449 14.936 -5.756 1.00 0.00 O ATOM 908 CB PRO A 89 -3.483 17.825 -4.642 1.00 0.00 C ATOM 909 CG PRO A 89 -2.964 18.909 -5.523 1.00 0.00 C ATOM 910 CD PRO A 89 -1.549 18.527 -5.860 1.00 0.00 C ATOM 0 HA PRO A 89 -2.583 15.829 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.567 17.739 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.250 18.020 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.569 19.002 -6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.998 19.873 -5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.271 18.857 -6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.836 18.975 -5.168 1.00 0.00 H new ATOM 918 N GLU A 90 -3.561 16.182 -7.407 1.00 0.00 N ATOM 919 CA GLU A 90 -4.355 15.554 -8.457 1.00 0.00 C ATOM 920 C GLU A 90 -4.057 14.060 -8.543 1.00 0.00 C ATOM 921 O GLU A 90 -4.969 13.232 -8.539 1.00 0.00 O ATOM 922 CB GLU A 90 -4.076 16.220 -9.805 1.00 0.00 C ATOM 923 CG GLU A 90 -2.623 16.130 -10.240 1.00 0.00 C ATOM 924 CD GLU A 90 -2.248 17.200 -11.247 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.809 17.188 -12.362 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.393 18.049 -10.919 1.00 0.00 O ATOM 0 H GLU A 90 -2.925 16.909 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.408 15.683 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.704 15.757 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.365 17.269 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.979 16.219 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.438 15.147 -10.674 1.00 0.00 H new ATOM 933 N HIS A 91 -2.774 13.722 -8.623 1.00 0.00 N ATOM 934 CA HIS A 91 -2.354 12.327 -8.711 1.00 0.00 C ATOM 935 C HIS A 91 -2.719 11.569 -7.439 1.00 0.00 C ATOM 936 O HIS A 91 -3.173 10.427 -7.494 1.00 0.00 O ATOM 937 CB HIS A 91 -0.848 12.241 -8.956 1.00 0.00 C ATOM 938 CG HIS A 91 -0.366 13.143 -10.051 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.735 13.963 -9.920 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.841 13.349 -11.301 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.915 14.637 -11.042 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.028 14.282 -11.897 1.00 0.00 N ATOM 0 H HIS A 91 -2.007 14.394 -8.629 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.877 11.867 -9.549 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.323 12.491 -8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.587 11.212 -9.203 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.700 12.869 -11.747 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.699 15.356 -11.229 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.135 14.642 -12.845 1.00 0.00 H new ATOM 951 N ALA A 92 -2.516 12.212 -6.293 1.00 0.00 N ATOM 952 CA ALA A 92 -2.825 11.599 -5.008 1.00 0.00 C ATOM 953 C ALA A 92 -4.248 11.052 -4.988 1.00 0.00 C ATOM 954 O ALA A 92 -4.527 10.040 -4.344 1.00 0.00 O ATOM 955 CB ALA A 92 -2.628 12.604 -3.883 1.00 0.00 C ATOM 0 H ALA A 92 -2.139 13.158 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.141 10.764 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.862 12.132 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.592 12.943 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.288 13.457 -4.038 1.00 0.00 H new ATOM 961 N VAL A 93 -5.147 11.728 -5.697 1.00 0.00 N ATOM 962 CA VAL A 93 -6.542 11.309 -5.761 1.00 0.00 C ATOM 963 C VAL A 93 -6.721 10.139 -6.723 1.00 0.00 C ATOM 964 O VAL A 93 -7.320 9.121 -6.375 1.00 0.00 O ATOM 965 CB VAL A 93 -7.456 12.467 -6.204 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.910 12.021 -6.229 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.274 13.668 -5.288 1.00 0.00 C ATOM 0 H VAL A 93 -4.934 12.568 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.825 10.996 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.175 12.763 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.540 12.853 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.025 11.193 -6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.208 11.697 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.927 14.477 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.528 13.388 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.237 14.001 -5.326 1.00 0.00 H new ATOM 977 N LYS A 94 -6.198 10.291 -7.934 1.00 0.00 N ATOM 978 CA LYS A 94 -6.298 9.247 -8.948 1.00 0.00 C ATOM 979 C LYS A 94 -5.843 7.902 -8.390 1.00 0.00 C ATOM 980 O LYS A 94 -6.482 6.876 -8.621 1.00 0.00 O ATOM 981 CB LYS A 94 -5.456 9.614 -10.172 1.00 0.00 C ATOM 982 CG LYS A 94 -5.360 8.501 -11.200 1.00 0.00 C ATOM 983 CD LYS A 94 -4.066 8.582 -11.992 1.00 0.00 C ATOM 984 CE LYS A 94 -4.099 7.672 -13.210 1.00 0.00 C ATOM 985 NZ LYS A 94 -4.661 8.363 -14.403 1.00 0.00 N ATOM 0 H LYS A 94 -5.700 11.128 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.343 9.163 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.884 10.498 -10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.452 9.882 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.420 7.535 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.209 8.560 -11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.897 9.611 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.229 8.304 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.090 7.326 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.697 6.788 -12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.667 7.710 -15.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.633 8.671 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.076 9.192 -14.632 1.00 0.00 H new ATOM 999 N ALA A 95 -4.737 7.916 -7.653 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.200 6.698 -7.059 1.00 0.00 C ATOM 1001 C ALA A 95 -5.156 6.127 -6.017 1.00 0.00 C ATOM 1002 O ALA A 95 -5.440 4.929 -6.010 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.839 6.970 -6.437 1.00 0.00 C ATOM 0 H ALA A 95 -4.196 8.757 -7.453 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.084 5.958 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.450 6.052 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.152 7.324 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.939 7.730 -5.662 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.648 6.992 -5.137 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.570 6.573 -4.087 1.00 0.00 C ATOM 1011 C TYR A 96 -7.855 6.008 -4.684 1.00 0.00 C ATOM 1012 O TYR A 96 -8.582 5.264 -4.027 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.897 7.751 -3.167 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.189 7.580 -2.400 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.393 6.475 -1.582 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.206 8.521 -2.495 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.572 6.314 -0.880 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.388 8.369 -1.796 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.566 7.264 -0.990 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.742 7.108 -0.293 1.00 0.00 O ATOM 0 H TYR A 96 -5.424 7.987 -5.130 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.086 5.789 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.079 7.886 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.956 8.661 -3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.617 5.729 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.071 9.387 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.715 5.449 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.168 9.111 -1.880 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.336 7.865 -0.480 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.126 6.366 -5.935 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.321 5.893 -6.623 1.00 0.00 C ATOM 1032 C ALA A 97 -9.094 4.514 -7.231 1.00 0.00 C ATOM 1033 O ALA A 97 -9.995 3.676 -7.246 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.738 6.885 -7.699 1.00 0.00 C ATOM 0 H ALA A 97 -7.534 6.982 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.124 5.810 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.632 6.519 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.950 7.851 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.931 6.997 -8.423 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.884 4.285 -7.734 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.541 3.007 -8.345 1.00 0.00 C ATOM 1042 C GLU A 98 -6.948 2.052 -7.313 1.00 0.00 C ATOM 1043 O GLU A 98 -7.473 0.962 -7.085 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.550 3.215 -9.492 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.108 4.047 -10.635 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.915 3.221 -11.618 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -7.662 2.003 -11.718 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -8.799 3.795 -12.288 1.00 0.00 O ATOM 0 H GLU A 98 -7.126 4.968 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.456 2.565 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.655 3.700 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.244 2.242 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.737 4.839 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.286 4.531 -11.162 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.849 2.469 -6.692 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.184 1.652 -5.684 1.00 0.00 C ATOM 1057 C VAL A 99 -6.191 1.066 -4.700 1.00 0.00 C ATOM 1058 O VAL A 99 -6.324 -0.152 -4.583 1.00 0.00 O ATOM 1059 CB VAL A 99 -4.135 2.467 -4.905 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.467 1.603 -3.846 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -3.102 3.053 -5.856 1.00 0.00 C ATOM 0 H VAL A 99 -5.401 3.368 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.683 0.841 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.641 3.291 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.729 2.196 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.219 1.236 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.973 0.757 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.369 3.626 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.599 2.246 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.598 3.708 -6.573 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.897 1.942 -3.994 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.894 1.512 -3.020 1.00 0.00 C ATOM 1073 C ASP A 100 -8.737 0.368 -3.574 1.00 0.00 C ATOM 1074 O ASP A 100 -9.728 0.593 -4.266 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.795 2.684 -2.629 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.721 2.344 -1.478 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.221 1.888 -0.429 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.946 2.535 -1.626 1.00 0.00 O ATOM 0 H ASP A 100 -6.798 2.954 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.370 1.156 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.176 3.538 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.389 2.986 -3.492 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.335 -0.861 -3.264 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.064 -2.022 -3.740 1.00 0.00 C ATOM 1085 C GLY A 101 -8.238 -2.880 -4.678 1.00 0.00 C ATOM 1086 O GLY A 101 -8.785 -3.600 -5.513 1.00 0.00 O ATOM 0 H GLY A 101 -7.518 -1.073 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.381 -2.623 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.968 -1.694 -4.253 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.918 -2.802 -4.542 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.017 -3.576 -5.387 1.00 0.00 C ATOM 1092 C GLN A 102 -5.176 -4.534 -4.551 1.00 0.00 C ATOM 1093 O GLN A 102 -4.802 -4.223 -3.420 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.105 -2.643 -6.186 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.927 -2.112 -5.386 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.953 -1.321 -6.237 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.030 -0.622 -5.587 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -3.029 -1.338 -7.466 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.449 -2.211 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.622 -4.161 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.730 -3.176 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.692 -1.802 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.296 -1.479 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.403 -2.947 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.754 -1.889 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.366 -0.801 -8.025 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.881 -5.702 -5.114 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.083 -6.706 -4.420 1.00 0.00 C ATOM 1109 C VAL A 103 -2.605 -6.570 -4.768 1.00 0.00 C ATOM 1110 O VAL A 103 -2.250 -6.262 -5.906 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.552 -8.132 -4.765 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.676 -9.164 -4.072 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -6.013 -8.319 -4.385 1.00 0.00 C ATOM 0 H VAL A 103 -5.183 -5.976 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.219 -6.536 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.459 -8.276 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.022 -10.166 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.643 -9.043 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.734 -9.024 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.327 -9.332 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.134 -8.156 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.626 -7.603 -4.932 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.747 -6.802 -3.781 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.306 -6.705 -3.983 1.00 0.00 C ATOM 1125 C PHE A 104 0.418 -7.861 -3.298 1.00 0.00 C ATOM 1126 O PHE A 104 0.387 -7.987 -2.074 1.00 0.00 O ATOM 1127 CB PHE A 104 0.217 -5.371 -3.446 1.00 0.00 C ATOM 1128 CG PHE A 104 1.592 -5.023 -3.942 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.873 -5.018 -5.298 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.603 -4.701 -3.051 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.137 -4.698 -5.758 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.868 -4.380 -3.504 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.136 -4.379 -4.859 1.00 0.00 C ATOM 0 H PHE A 104 -2.024 -7.058 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.110 -6.760 -5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.475 -4.578 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.231 -5.407 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.095 -5.267 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.400 -4.701 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.343 -4.697 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.647 -4.130 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.125 -4.129 -5.215 1.00 0.00 H new ATOM 1143 N GLN A 105 1.068 -8.701 -4.097 1.00 0.00 N ATOM 1144 CA GLN A 105 1.798 -9.847 -3.568 1.00 0.00 C ATOM 1145 C GLN A 105 0.915 -10.673 -2.638 1.00 0.00 C ATOM 1146 O GLN A 105 1.402 -11.297 -1.696 1.00 0.00 O ATOM 1147 CB GLN A 105 3.049 -9.381 -2.822 1.00 0.00 C ATOM 1148 CG GLN A 105 4.081 -8.718 -3.720 1.00 0.00 C ATOM 1149 CD GLN A 105 5.497 -8.879 -3.200 1.00 0.00 C ATOM 1150 OE1 GLN A 105 6.056 -9.976 -3.218 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.084 -7.783 -2.734 1.00 0.00 N ATOM 0 H GLN A 105 1.104 -8.610 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 105 2.097 -10.475 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.756 -8.680 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.507 -10.237 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.015 -9.145 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.850 -7.657 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.583 -6.895 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.036 -7.829 -2.372 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.386 -10.672 -2.910 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.316 -11.424 -2.088 1.00 0.00 C ATOM 1162 C GLY A 106 -1.706 -10.682 -0.825 1.00 0.00 C ATOM 1163 O GLY A 106 -1.988 -11.298 0.203 1.00 0.00 O ATOM 0 H GLY A 106 -0.813 -10.164 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.212 -11.644 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.867 -12.380 -1.820 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.720 -9.355 -0.901 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.075 -8.528 0.246 1.00 0.00 C ATOM 1169 C ARG A 107 -3.065 -7.439 -0.155 1.00 0.00 C ATOM 1170 O ARG A 107 -2.741 -6.551 -0.943 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.821 -7.895 0.852 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.176 -8.740 1.938 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.965 -8.676 3.236 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.739 -9.852 4.072 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.330 -10.044 5.246 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.178 -9.142 5.720 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.074 -11.140 5.948 1.00 0.00 N ATOM 0 H ARG A 107 -1.490 -8.830 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.548 -9.167 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.093 -7.720 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.080 -6.921 1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.108 -9.775 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.843 -8.394 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.683 -7.779 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.028 -8.590 3.010 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.092 -10.565 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.378 -8.298 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.631 -9.292 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.423 -11.837 5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.529 -11.286 6.849 1.00 0.00 H new ATOM 1191 N MET A 108 -4.274 -7.515 0.392 1.00 0.00 N ATOM 1192 CA MET A 108 -5.311 -6.535 0.091 1.00 0.00 C ATOM 1193 C MET A 108 -4.916 -5.152 0.599 1.00 0.00 C ATOM 1194 O MET A 108 -5.051 -4.854 1.787 1.00 0.00 O ATOM 1195 CB MET A 108 -6.641 -6.960 0.716 1.00 0.00 C ATOM 1196 CG MET A 108 -7.858 -6.481 -0.059 1.00 0.00 C ATOM 1197 SD MET A 108 -7.783 -4.723 -0.452 1.00 0.00 S ATOM 1198 CE MET A 108 -7.813 -4.775 -2.243 1.00 0.00 C ATOM 0 H MET A 108 -4.559 -8.244 1.045 1.00 0.00 H new ATOM 0 HA MET A 108 -5.426 -6.486 -0.992 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.669 -8.047 0.785 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.694 -6.574 1.734 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.944 -7.053 -0.983 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.757 -6.681 0.524 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.250 -3.931 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.363 -5.706 -2.588 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.844 -4.720 -2.591 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.429 -4.311 -0.306 1.00 0.00 N ATOM 1209 CA LEU A 109 -4.014 -2.958 0.051 1.00 0.00 C ATOM 1210 C LEU A 109 -5.225 -2.056 0.267 1.00 0.00 C ATOM 1211 O LEU A 109 -6.118 -1.986 -0.578 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.116 -2.374 -1.041 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.845 -3.163 -1.358 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.108 -2.537 -2.531 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.942 -3.234 -0.135 1.00 0.00 C ATOM 0 H LEU A 109 -4.311 -4.541 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.453 -3.011 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.702 -2.285 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.829 -1.365 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.130 -4.178 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.206 -3.111 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.754 -2.539 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.835 -1.511 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.042 -3.799 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.665 -2.225 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.471 -3.728 0.680 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.248 -1.366 1.402 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.348 -0.465 1.728 1.00 0.00 C ATOM 1229 C HIS A 110 -5.862 0.979 1.810 1.00 0.00 C ATOM 1230 O HIS A 110 -5.060 1.326 2.676 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.995 -0.874 3.051 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.712 -2.187 2.988 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.478 -3.288 2.235 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.815 -2.481 3.761 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.434 -4.217 2.565 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -9.228 -3.706 3.488 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.517 -1.413 2.112 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.090 -0.535 0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.225 -0.927 3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.699 -0.100 3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.270 -1.814 4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.522 -5.205 2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -10.025 -4.177 3.917 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.353 1.816 0.901 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.969 3.222 0.871 1.00 0.00 C ATOM 1247 C VAL A 111 -7.080 4.107 1.423 1.00 0.00 C ATOM 1248 O VAL A 111 -8.265 3.827 1.234 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.626 3.680 -0.560 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.961 5.047 -0.538 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.737 2.655 -1.248 1.00 0.00 C ATOM 0 H VAL A 111 -7.017 1.545 0.176 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.083 3.322 1.499 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.552 3.763 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.726 5.354 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.637 5.773 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.042 4.995 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.504 2.994 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.812 2.537 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.256 1.698 -1.297 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.691 5.177 2.107 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.655 6.106 2.688 1.00 0.00 C ATOM 1263 C LEU A 112 -7.126 7.536 2.647 1.00 0.00 C ATOM 1264 O LEU A 112 -5.920 7.779 2.670 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.970 5.708 4.131 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.805 4.439 4.311 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.512 3.795 5.657 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.288 4.753 4.178 1.00 0.00 C ATOM 0 H LEU A 112 -5.715 5.423 2.273 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.569 6.059 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.028 5.578 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.495 6.535 4.608 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.533 3.733 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.115 2.894 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.455 3.534 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.756 4.495 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.867 3.839 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.576 5.477 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.485 5.169 3.190 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.050 8.507 2.585 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.701 9.930 2.542 1.00 0.00 C ATOM 1282 C PRO A 113 -7.125 10.426 3.865 1.00 0.00 C ATOM 1283 O PRO A 113 -7.671 10.150 4.932 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.038 10.615 2.251 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.068 9.669 2.765 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.506 8.290 2.554 1.00 0.00 C ATOM 0 HA PRO A 113 -6.930 10.138 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.104 11.582 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.165 10.798 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.272 9.850 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.011 9.792 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.826 7.601 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.829 7.865 1.603 1.00 0.00 H new ATOM 1294 N SER A 114 -6.020 11.160 3.785 1.00 0.00 N ATOM 1295 CA SER A 114 -5.369 11.692 4.977 1.00 0.00 C ATOM 1296 C SER A 114 -5.887 13.089 5.302 1.00 0.00 C ATOM 1297 O SER A 114 -6.099 13.910 4.408 1.00 0.00 O ATOM 1298 CB SER A 114 -3.852 11.731 4.780 1.00 0.00 C ATOM 1299 OG SER A 114 -3.222 12.465 5.817 1.00 0.00 O ATOM 0 H SER A 114 -5.557 11.400 2.908 1.00 0.00 H new ATOM 0 HA SER A 114 -5.603 11.034 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.459 10.715 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.619 12.184 3.816 1.00 0.00 H new ATOM 0 HG SER A 114 -2.253 12.474 5.669 1.00 0.00 H new