USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 622 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 Single : A 6 TYR OH : rot 7:sc= 0.133 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 SER OG : rot -164:sc= -0.241 USER MOD Single : A 19 GLN : amide:sc= -0.661 K(o=-0.66,f=-9.4!) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= -3.45! (180deg=-3.91!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0065) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -159:sc= -0.21 (180deg=-0.914) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.595 K(o=0.6,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.075 K(o=-0.075,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.694 11.650 5.529 1.00 0.00 N ATOM 19 CA ARG A 2 -4.725 10.706 6.064 1.00 0.00 C ATOM 20 C ARG A 2 -4.159 9.285 6.065 1.00 0.00 C ATOM 21 O ARG A 2 -3.157 9.005 5.432 1.00 0.00 O ATOM 22 CB ARG A 2 -6.000 10.743 5.202 1.00 0.00 C ATOM 23 CG ARG A 2 -6.277 12.169 4.700 1.00 0.00 C ATOM 24 CD ARG A 2 -6.516 13.105 5.890 1.00 0.00 C ATOM 25 NE ARG A 2 -7.959 13.497 5.936 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.420 14.321 6.856 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.635 14.829 7.779 1.00 0.00 N ATOM 28 NH2 ARG A 2 -9.686 14.637 6.852 1.00 0.00 N ATOM 0 HA ARG A 2 -4.980 11.010 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.890 10.068 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.849 10.386 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.433 12.526 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.148 12.170 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.233 12.609 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.890 13.993 5.799 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.601 13.118 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.644 14.588 7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.017 15.464 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.307 14.247 6.142 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.055 15.274 7.558 1.00 0.00 H new ATOM 42 N LEU A 3 -4.797 8.387 6.772 1.00 0.00 N ATOM 43 CA LEU A 3 -4.308 6.978 6.823 1.00 0.00 C ATOM 44 C LEU A 3 -5.310 6.063 6.113 1.00 0.00 C ATOM 45 O LEU A 3 -6.128 5.418 6.742 1.00 0.00 O ATOM 46 CB LEU A 3 -4.162 6.542 8.285 1.00 0.00 C ATOM 47 CG LEU A 3 -3.216 7.499 9.015 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.029 8.583 9.725 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.398 6.721 10.049 1.00 0.00 C ATOM 0 H LEU A 3 -5.639 8.571 7.318 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.341 6.910 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.137 6.536 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.775 5.524 8.334 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.545 7.962 8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.354 9.263 10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.612 9.140 8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.702 8.119 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.725 7.403 10.568 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.071 6.256 10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.815 5.949 9.546 1.00 0.00 H new ATOM 61 N PHE A 4 -5.249 6.009 4.806 1.00 0.00 N ATOM 62 CA PHE A 4 -6.192 5.141 4.041 1.00 0.00 C ATOM 63 C PHE A 4 -5.676 3.699 4.045 1.00 0.00 C ATOM 64 O PHE A 4 -4.484 3.460 4.004 1.00 0.00 O ATOM 65 CB PHE A 4 -6.287 5.641 2.597 1.00 0.00 C ATOM 66 CG PHE A 4 -7.152 6.876 2.545 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.544 6.753 2.473 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.562 8.146 2.566 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.347 7.898 2.422 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.365 9.292 2.514 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.759 9.169 2.442 1.00 0.00 C ATOM 0 H PHE A 4 -4.584 6.531 4.235 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.177 5.177 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.292 5.865 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.707 4.863 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.999 5.774 2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.488 8.241 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.421 7.801 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.910 10.271 2.529 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.379 10.053 2.402 1.00 0.00 H new ATOM 81 N GLY A 5 -6.566 2.740 4.092 1.00 0.00 N ATOM 82 CA GLY A 5 -6.135 1.312 4.099 1.00 0.00 C ATOM 83 C GLY A 5 -6.965 0.515 3.091 1.00 0.00 C ATOM 84 O GLY A 5 -8.171 0.660 3.014 1.00 0.00 O ATOM 0 H GLY A 5 -7.575 2.887 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.076 1.241 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.256 0.891 5.097 1.00 0.00 H new ATOM 88 N TYR A 6 -6.324 -0.329 2.323 1.00 0.00 N ATOM 89 CA TYR A 6 -7.058 -1.149 1.316 1.00 0.00 C ATOM 90 C TYR A 6 -7.285 -2.555 1.885 1.00 0.00 C ATOM 91 O TYR A 6 -6.464 -3.076 2.616 1.00 0.00 O ATOM 92 CB TYR A 6 -6.221 -1.229 0.032 1.00 0.00 C ATOM 93 CG TYR A 6 -6.954 -2.034 -1.017 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.139 -1.545 -1.578 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.442 -3.269 -1.428 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.813 -2.297 -2.550 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.116 -4.020 -2.398 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.301 -3.534 -2.960 1.00 0.00 C ATOM 99 OH TYR A 6 -8.968 -4.275 -3.914 1.00 0.00 O ATOM 0 H TYR A 6 -5.316 -0.485 2.352 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.022 -0.694 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.020 -0.226 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.256 -1.689 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.533 -0.590 -1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.526 -3.644 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.728 -1.922 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.721 -4.975 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.711 -3.749 -4.277 1.00 0.00 H new ATOM 109 N ALA A 7 -8.396 -3.168 1.556 1.00 0.00 N ATOM 110 CA ALA A 7 -8.681 -4.539 2.078 1.00 0.00 C ATOM 111 C ALA A 7 -9.510 -5.326 1.056 1.00 0.00 C ATOM 112 O ALA A 7 -10.076 -4.767 0.136 1.00 0.00 O ATOM 113 CB ALA A 7 -9.463 -4.431 3.396 1.00 0.00 C ATOM 0 H ALA A 7 -9.117 -2.778 0.949 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.739 -5.059 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.672 -5.430 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.871 -3.880 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.402 -3.906 3.220 1.00 0.00 H new ATOM 119 N ARG A 8 -9.582 -6.619 1.226 1.00 0.00 N ATOM 120 CA ARG A 8 -10.373 -7.474 0.289 1.00 0.00 C ATOM 121 C ARG A 8 -10.632 -8.821 0.967 1.00 0.00 C ATOM 122 O ARG A 8 -9.732 -9.620 1.139 1.00 0.00 O ATOM 123 CB ARG A 8 -9.589 -7.689 -1.009 1.00 0.00 C ATOM 124 CG ARG A 8 -10.438 -8.501 -1.998 1.00 0.00 C ATOM 125 CD ARG A 8 -10.338 -7.885 -3.397 1.00 0.00 C ATOM 126 NE ARG A 8 -9.005 -8.213 -3.990 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.749 -7.998 -5.266 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.651 -7.484 -6.073 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.572 -8.302 -5.739 1.00 0.00 N ATOM 0 H ARG A 8 -9.122 -7.126 1.982 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.318 -6.987 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.322 -6.727 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.657 -8.213 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.096 -9.536 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.478 -8.517 -1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.136 -8.269 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.467 -6.804 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.278 -8.611 -3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.575 -7.241 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.426 -7.328 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.863 -8.701 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.361 -8.141 -6.724 1.00 0.00 H new ATOM 143 N VAL A 9 -11.852 -9.066 1.370 1.00 0.00 N ATOM 144 CA VAL A 9 -12.178 -10.349 2.065 1.00 0.00 C ATOM 145 C VAL A 9 -11.815 -11.552 1.188 1.00 0.00 C ATOM 146 O VAL A 9 -12.068 -11.567 -0.002 1.00 0.00 O ATOM 147 CB VAL A 9 -13.674 -10.385 2.401 1.00 0.00 C ATOM 148 CG1 VAL A 9 -14.019 -9.191 3.293 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.508 -10.326 1.111 1.00 0.00 C ATOM 0 H VAL A 9 -12.640 -8.430 1.247 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.594 -10.405 2.983 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.903 -11.313 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.082 -9.212 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.437 -9.244 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.785 -8.265 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.568 -10.352 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.285 -9.403 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.263 -11.180 0.480 1.00 0.00 H new ATOM 159 N SER A 10 -11.232 -12.561 1.782 1.00 0.00 N ATOM 160 CA SER A 10 -10.853 -13.779 1.013 1.00 0.00 C ATOM 161 C SER A 10 -11.678 -14.966 1.516 1.00 0.00 C ATOM 162 O SER A 10 -12.053 -15.840 0.755 1.00 0.00 O ATOM 163 CB SER A 10 -9.365 -14.069 1.210 1.00 0.00 C ATOM 164 OG SER A 10 -8.991 -15.178 0.401 1.00 0.00 O ATOM 0 H SER A 10 -11.001 -12.591 2.775 1.00 0.00 H new ATOM 0 HA SER A 10 -11.049 -13.618 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.774 -13.193 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.160 -14.284 2.259 1.00 0.00 H new ATOM 0 HG SER A 10 -8.037 -15.366 0.524 1.00 0.00 H new ATOM 170 N THR A 11 -11.968 -14.999 2.794 1.00 0.00 N ATOM 171 CA THR A 11 -12.773 -16.121 3.360 1.00 0.00 C ATOM 172 C THR A 11 -14.248 -15.709 3.415 1.00 0.00 C ATOM 173 O THR A 11 -14.620 -14.652 2.940 1.00 0.00 O ATOM 174 CB THR A 11 -12.272 -16.457 4.771 1.00 0.00 C ATOM 175 OG1 THR A 11 -13.084 -17.481 5.328 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.337 -15.213 5.660 1.00 0.00 C ATOM 0 H THR A 11 -11.679 -14.293 3.471 1.00 0.00 H new ATOM 0 HA THR A 11 -12.667 -17.002 2.727 1.00 0.00 H new ATOM 0 HB THR A 11 -11.239 -16.799 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.765 -17.698 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.980 -15.461 6.659 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.711 -14.429 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.367 -14.862 5.720 1.00 0.00 H new ATOM 184 N SER A 12 -15.088 -16.536 3.985 1.00 0.00 N ATOM 185 CA SER A 12 -16.542 -16.197 4.065 1.00 0.00 C ATOM 186 C SER A 12 -17.032 -16.355 5.507 1.00 0.00 C ATOM 187 O SER A 12 -17.518 -17.400 5.894 1.00 0.00 O ATOM 188 CB SER A 12 -17.333 -17.135 3.154 1.00 0.00 C ATOM 189 OG SER A 12 -17.470 -16.536 1.872 1.00 0.00 O ATOM 0 H SER A 12 -14.830 -17.432 4.399 1.00 0.00 H new ATOM 0 HA SER A 12 -16.689 -15.165 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.822 -18.094 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.315 -17.334 3.582 1.00 0.00 H new ATOM 0 HG SER A 12 -17.975 -17.135 1.283 1.00 0.00 H new ATOM 195 N GLN A 13 -16.914 -15.318 6.299 1.00 0.00 N ATOM 196 CA GLN A 13 -17.376 -15.392 7.717 1.00 0.00 C ATOM 197 C GLN A 13 -17.192 -14.025 8.381 1.00 0.00 C ATOM 198 O GLN A 13 -18.125 -13.448 8.905 1.00 0.00 O ATOM 199 CB GLN A 13 -16.554 -16.440 8.471 1.00 0.00 C ATOM 200 CG GLN A 13 -17.222 -16.743 9.816 1.00 0.00 C ATOM 201 CD GLN A 13 -18.119 -17.974 9.674 1.00 0.00 C ATOM 202 OE1 GLN A 13 -17.639 -19.068 9.456 1.00 0.00 O ATOM 203 NE2 GLN A 13 -19.412 -17.842 9.792 1.00 0.00 N ATOM 0 H GLN A 13 -16.516 -14.421 6.022 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.429 -15.673 7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.476 -17.351 7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.539 -16.076 8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.464 -16.918 10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.811 -15.886 10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.816 -16.924 9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.018 -18.657 9.701 1.00 0.00 H new ATOM 212 N GLN A 14 -15.989 -13.510 8.361 1.00 0.00 N ATOM 213 CA GLN A 14 -15.723 -12.181 8.986 1.00 0.00 C ATOM 214 C GLN A 14 -14.388 -11.643 8.470 1.00 0.00 C ATOM 215 O GLN A 14 -13.662 -10.972 9.177 1.00 0.00 O ATOM 216 CB GLN A 14 -15.660 -12.335 10.508 1.00 0.00 C ATOM 217 CG GLN A 14 -14.651 -13.428 10.871 1.00 0.00 C ATOM 218 CD GLN A 14 -14.187 -13.236 12.316 1.00 0.00 C ATOM 219 OE1 GLN A 14 -13.384 -12.370 12.599 1.00 0.00 O ATOM 220 NE2 GLN A 14 -14.663 -14.016 13.249 1.00 0.00 N ATOM 0 H GLN A 14 -15.176 -13.956 7.936 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.523 -11.487 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.370 -11.390 10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.645 -12.590 10.899 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.106 -14.411 10.752 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.797 -13.388 10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.337 -14.743 13.011 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.360 -13.898 14.216 1.00 0.00 H new ATOM 229 N SER A 15 -14.062 -11.944 7.238 1.00 0.00 N ATOM 230 CA SER A 15 -12.770 -11.470 6.651 1.00 0.00 C ATOM 231 C SER A 15 -12.700 -9.938 6.703 1.00 0.00 C ATOM 232 O SER A 15 -11.739 -9.373 7.186 1.00 0.00 O ATOM 233 CB SER A 15 -12.655 -11.940 5.192 1.00 0.00 C ATOM 234 OG SER A 15 -13.799 -12.707 4.835 1.00 0.00 O ATOM 0 H SER A 15 -14.639 -12.502 6.609 1.00 0.00 H new ATOM 0 HA SER A 15 -11.946 -11.887 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.564 -11.079 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.752 -12.537 5.064 1.00 0.00 H new ATOM 0 HG SER A 15 -13.611 -13.214 4.018 1.00 0.00 H new ATOM 240 N LEU A 16 -13.712 -9.267 6.206 1.00 0.00 N ATOM 241 CA LEU A 16 -13.719 -7.765 6.213 1.00 0.00 C ATOM 242 C LEU A 16 -13.399 -7.245 7.627 1.00 0.00 C ATOM 243 O LEU A 16 -12.736 -6.238 7.788 1.00 0.00 O ATOM 244 CB LEU A 16 -15.108 -7.274 5.750 1.00 0.00 C ATOM 245 CG LEU A 16 -15.277 -5.766 6.012 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.942 -5.101 4.805 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.153 -5.555 7.250 1.00 0.00 C ATOM 0 H LEU A 16 -14.540 -9.696 5.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.958 -7.383 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.234 -7.478 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.887 -7.827 6.275 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.296 -5.321 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.059 -4.034 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.320 -5.245 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.921 -5.549 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.272 -4.487 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.132 -6.006 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.680 -6.022 8.114 1.00 0.00 H new ATOM 259 N ASP A 17 -13.859 -7.931 8.637 1.00 0.00 N ATOM 260 CA ASP A 17 -13.580 -7.488 10.033 1.00 0.00 C ATOM 261 C ASP A 17 -12.116 -7.777 10.367 1.00 0.00 C ATOM 262 O ASP A 17 -11.455 -7.001 11.027 1.00 0.00 O ATOM 263 CB ASP A 17 -14.491 -8.255 10.994 1.00 0.00 C ATOM 264 CG ASP A 17 -14.976 -7.320 12.103 1.00 0.00 C ATOM 265 OD1 ASP A 17 -15.467 -6.250 11.778 1.00 0.00 O ATOM 266 OD2 ASP A 17 -14.850 -7.687 13.260 1.00 0.00 O ATOM 0 H ASP A 17 -14.417 -8.781 8.556 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.769 -6.419 10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.343 -8.665 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.952 -9.098 11.426 1.00 0.00 H new ATOM 271 N ILE A 18 -11.609 -8.893 9.910 1.00 0.00 N ATOM 272 CA ILE A 18 -10.189 -9.256 10.189 1.00 0.00 C ATOM 273 C ILE A 18 -9.257 -8.366 9.362 1.00 0.00 C ATOM 274 O ILE A 18 -8.199 -7.976 9.818 1.00 0.00 O ATOM 275 CB ILE A 18 -9.955 -10.725 9.822 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.962 -11.608 10.566 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.535 -11.136 10.219 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.302 -12.831 9.712 1.00 0.00 C ATOM 0 H ILE A 18 -12.123 -9.573 9.351 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.980 -9.109 11.249 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.084 -10.849 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.546 -11.924 11.523 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.867 -11.041 10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.372 -12.181 9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.814 -10.512 9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.406 -11.007 11.294 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.018 -13.458 10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.736 -12.505 8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.394 -13.402 9.517 1.00 0.00 H new ATOM 290 N GLN A 19 -9.643 -8.038 8.153 1.00 0.00 N ATOM 291 CA GLN A 19 -8.770 -7.166 7.301 1.00 0.00 C ATOM 292 C GLN A 19 -8.725 -5.768 7.913 1.00 0.00 C ATOM 293 O GLN A 19 -7.668 -5.199 8.095 1.00 0.00 O ATOM 294 CB GLN A 19 -9.301 -7.071 5.857 1.00 0.00 C ATOM 295 CG GLN A 19 -9.907 -8.411 5.404 1.00 0.00 C ATOM 296 CD GLN A 19 -9.339 -8.808 4.039 1.00 0.00 C ATOM 297 OE1 GLN A 19 -8.844 -7.973 3.308 1.00 0.00 O ATOM 298 NE2 GLN A 19 -9.389 -10.056 3.665 1.00 0.00 N ATOM 0 H GLN A 19 -10.518 -8.333 7.720 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.773 -7.606 7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.055 -6.287 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.490 -6.789 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.686 -9.186 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.992 -8.327 5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.805 -10.756 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.012 -10.332 2.758 1.00 0.00 H new ATOM 307 N VAL A 20 -9.868 -5.214 8.251 1.00 0.00 N ATOM 308 CA VAL A 20 -9.901 -3.850 8.870 1.00 0.00 C ATOM 309 C VAL A 20 -8.963 -3.822 10.083 1.00 0.00 C ATOM 310 O VAL A 20 -8.155 -2.925 10.236 1.00 0.00 O ATOM 311 CB VAL A 20 -11.337 -3.533 9.312 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.388 -2.151 9.971 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.262 -3.554 8.088 1.00 0.00 C ATOM 0 H VAL A 20 -10.781 -5.650 8.124 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.573 -3.104 8.146 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.666 -4.282 10.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.410 -1.934 10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.733 -2.139 10.842 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.057 -1.396 9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.282 -3.329 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.929 -2.807 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.233 -4.541 7.627 1.00 0.00 H new ATOM 323 N ARG A 21 -9.056 -4.814 10.931 1.00 0.00 N ATOM 324 CA ARG A 21 -8.164 -4.877 12.129 1.00 0.00 C ATOM 325 C ARG A 21 -6.710 -4.928 11.652 1.00 0.00 C ATOM 326 O ARG A 21 -5.818 -4.398 12.284 1.00 0.00 O ATOM 327 CB ARG A 21 -8.473 -6.141 12.943 1.00 0.00 C ATOM 328 CG ARG A 21 -9.983 -6.253 13.202 1.00 0.00 C ATOM 329 CD ARG A 21 -10.280 -5.973 14.678 1.00 0.00 C ATOM 330 NE ARG A 21 -10.670 -4.540 14.845 1.00 0.00 N ATOM 331 CZ ARG A 21 -11.037 -4.059 16.016 1.00 0.00 C ATOM 332 NH1 ARG A 21 -11.074 -4.815 17.090 1.00 0.00 N ATOM 333 NH2 ARG A 21 -11.372 -2.801 16.112 1.00 0.00 N ATOM 0 H ARG A 21 -9.715 -5.588 10.845 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.327 -4.000 12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.123 -7.022 12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.936 -6.112 13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.522 -5.545 12.573 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.334 -7.250 12.934 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.082 -6.622 15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.402 -6.195 15.285 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.652 -3.921 14.035 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.815 -5.800 17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.362 -4.417 17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.348 -2.202 15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.658 -2.417 17.013 1.00 0.00 H new ATOM 347 N ALA A 22 -6.479 -5.555 10.525 1.00 0.00 N ATOM 348 CA ALA A 22 -5.097 -5.639 9.977 1.00 0.00 C ATOM 349 C ALA A 22 -4.668 -4.246 9.511 1.00 0.00 C ATOM 350 O ALA A 22 -3.521 -3.865 9.647 1.00 0.00 O ATOM 351 CB ALA A 22 -5.077 -6.613 8.795 1.00 0.00 C ATOM 0 H ALA A 22 -7.194 -6.013 9.961 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.410 -5.997 10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.066 -6.676 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.396 -7.600 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.755 -6.258 8.019 1.00 0.00 H new ATOM 357 N LEU A 23 -5.589 -3.484 8.973 1.00 0.00 N ATOM 358 CA LEU A 23 -5.247 -2.107 8.507 1.00 0.00 C ATOM 359 C LEU A 23 -5.050 -1.208 9.728 1.00 0.00 C ATOM 360 O LEU A 23 -4.092 -0.464 9.814 1.00 0.00 O ATOM 361 CB LEU A 23 -6.387 -1.550 7.647 1.00 0.00 C ATOM 362 CG LEU A 23 -6.721 -2.532 6.524 1.00 0.00 C ATOM 363 CD1 LEU A 23 -8.036 -2.121 5.862 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.604 -2.520 5.480 1.00 0.00 C ATOM 0 H LEU A 23 -6.562 -3.757 8.837 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.334 -2.139 7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.268 -1.377 8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.099 -0.587 7.226 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.818 -3.535 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.275 -2.821 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.835 -2.131 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.937 -1.117 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.845 -3.221 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.505 -1.517 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.665 -2.813 5.949 1.00 0.00 H new ATOM 376 N LYS A 24 -5.952 -1.276 10.677 1.00 0.00 N ATOM 377 CA LYS A 24 -5.828 -0.433 11.905 1.00 0.00 C ATOM 378 C LYS A 24 -4.535 -0.799 12.633 1.00 0.00 C ATOM 379 O LYS A 24 -3.795 0.061 13.072 1.00 0.00 O ATOM 380 CB LYS A 24 -7.036 -0.685 12.822 1.00 0.00 C ATOM 381 CG LYS A 24 -7.914 0.568 12.883 1.00 0.00 C ATOM 382 CD LYS A 24 -8.881 0.577 11.697 1.00 0.00 C ATOM 383 CE LYS A 24 -10.237 0.016 12.134 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.043 -1.323 12.758 1.00 0.00 N ATOM 0 H LYS A 24 -6.772 -1.882 10.653 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.803 0.622 11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.617 -1.529 12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.695 -0.950 13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.471 0.588 13.819 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.291 1.462 12.864 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.001 1.593 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.476 -0.020 10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.712 0.694 12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.903 -0.064 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.970 -1.756 12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.502 -1.932 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.522 -1.217 13.652 1.00 0.00 H new ATOM 398 N ASP A 25 -4.243 -2.071 12.737 1.00 0.00 N ATOM 399 CA ASP A 25 -2.987 -2.508 13.405 1.00 0.00 C ATOM 400 C ASP A 25 -1.801 -1.930 12.636 1.00 0.00 C ATOM 401 O ASP A 25 -0.778 -1.587 13.198 1.00 0.00 O ATOM 402 CB ASP A 25 -2.910 -4.032 13.371 1.00 0.00 C ATOM 403 CG ASP A 25 -2.065 -4.532 14.544 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.373 -4.173 15.668 1.00 0.00 O ATOM 405 OD2 ASP A 25 -1.122 -5.265 14.298 1.00 0.00 O ATOM 0 H ASP A 25 -4.828 -2.829 12.384 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.969 -2.162 14.438 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.912 -4.458 13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.473 -4.363 12.429 1.00 0.00 H new ATOM 410 N ALA A 26 -1.953 -1.817 11.344 1.00 0.00 N ATOM 411 CA ALA A 26 -0.873 -1.259 10.491 1.00 0.00 C ATOM 412 C ALA A 26 -0.768 0.248 10.728 1.00 0.00 C ATOM 413 O ALA A 26 0.296 0.829 10.626 1.00 0.00 O ATOM 414 CB ALA A 26 -1.232 -1.517 9.030 1.00 0.00 C ATOM 0 H ALA A 26 -2.795 -2.093 10.839 1.00 0.00 H new ATOM 0 HA ALA A 26 0.080 -1.729 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.450 -1.114 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.323 -2.590 8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.180 -1.031 8.797 1.00 0.00 H new ATOM 420 N GLY A 27 -1.871 0.883 11.030 1.00 0.00 N ATOM 421 CA GLY A 27 -1.858 2.356 11.262 1.00 0.00 C ATOM 422 C GLY A 27 -2.865 3.004 10.318 1.00 0.00 C ATOM 423 O GLY A 27 -2.586 4.000 9.675 1.00 0.00 O ATOM 0 H GLY A 27 -2.785 0.440 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.113 2.578 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.860 2.758 11.086 1.00 0.00 H new ATOM 427 N VAL A 28 -4.032 2.427 10.223 1.00 0.00 N ATOM 428 CA VAL A 28 -5.079 2.974 9.319 1.00 0.00 C ATOM 429 C VAL A 28 -6.305 3.362 10.154 1.00 0.00 C ATOM 430 O VAL A 28 -6.574 2.777 11.185 1.00 0.00 O ATOM 431 CB VAL A 28 -5.448 1.889 8.292 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.589 2.368 7.389 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.223 1.577 7.430 1.00 0.00 C ATOM 0 H VAL A 28 -4.306 1.591 10.739 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.717 3.859 8.796 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.773 0.995 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.836 1.587 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.465 2.591 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.279 3.267 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.478 0.809 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.905 2.480 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.413 1.219 8.065 1.00 0.00 H new ATOM 443 N LYS A 29 -7.044 4.347 9.710 1.00 0.00 N ATOM 444 CA LYS A 29 -8.254 4.783 10.468 1.00 0.00 C ATOM 445 C LYS A 29 -9.453 3.934 10.037 1.00 0.00 C ATOM 446 O LYS A 29 -9.597 3.593 8.879 1.00 0.00 O ATOM 447 CB LYS A 29 -8.532 6.262 10.172 1.00 0.00 C ATOM 448 CG LYS A 29 -8.114 7.117 11.373 1.00 0.00 C ATOM 449 CD LYS A 29 -7.649 8.490 10.886 1.00 0.00 C ATOM 450 CE LYS A 29 -7.988 9.544 11.943 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.104 10.731 11.761 1.00 0.00 N ATOM 0 H LYS A 29 -6.860 4.869 8.853 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.086 4.655 11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.984 6.574 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.591 6.408 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.951 7.228 12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.312 6.624 11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.575 8.478 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.134 8.737 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.034 9.839 11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.856 9.128 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.333 11.448 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.110 10.443 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.251 11.131 10.812 1.00 0.00 H new ATOM 465 N ALA A 30 -10.315 3.592 10.965 1.00 0.00 N ATOM 466 CA ALA A 30 -11.507 2.765 10.616 1.00 0.00 C ATOM 467 C ALA A 30 -12.400 3.548 9.652 1.00 0.00 C ATOM 468 O ALA A 30 -13.066 2.978 8.807 1.00 0.00 O ATOM 469 CB ALA A 30 -12.293 2.431 11.884 1.00 0.00 C ATOM 0 H ALA A 30 -10.242 3.851 11.949 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.180 1.839 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.163 1.827 11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.656 1.874 12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.622 3.354 12.362 1.00 0.00 H new ATOM 475 N ASN A 31 -12.418 4.849 9.774 1.00 0.00 N ATOM 476 CA ASN A 31 -13.258 5.683 8.873 1.00 0.00 C ATOM 477 C ASN A 31 -12.706 5.611 7.442 1.00 0.00 C ATOM 478 O ASN A 31 -13.424 5.837 6.485 1.00 0.00 O ATOM 479 CB ASN A 31 -13.229 7.133 9.371 1.00 0.00 C ATOM 480 CG ASN A 31 -14.654 7.679 9.462 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.010 8.608 8.763 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.491 7.137 10.303 1.00 0.00 N ATOM 0 H ASN A 31 -11.881 5.372 10.466 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.284 5.315 8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.748 7.182 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.637 7.748 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.444 7.493 10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.192 6.358 10.889 1.00 0.00 H new ATOM 489 N ARG A 32 -11.440 5.306 7.291 1.00 0.00 N ATOM 490 CA ARG A 32 -10.842 5.226 5.923 1.00 0.00 C ATOM 491 C ARG A 32 -10.444 3.776 5.622 1.00 0.00 C ATOM 492 O ARG A 32 -9.295 3.475 5.355 1.00 0.00 O ATOM 493 CB ARG A 32 -9.599 6.134 5.820 1.00 0.00 C ATOM 494 CG ARG A 32 -9.797 7.421 6.632 1.00 0.00 C ATOM 495 CD ARG A 32 -8.498 8.231 6.627 1.00 0.00 C ATOM 496 NE ARG A 32 -8.722 9.534 7.324 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.446 10.491 6.779 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.998 10.347 5.596 1.00 0.00 N ATOM 499 NH2 ARG A 32 -9.617 11.611 7.427 1.00 0.00 N ATOM 0 H ARG A 32 -10.795 5.109 8.057 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.582 5.564 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.721 5.600 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.410 6.383 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.608 8.011 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.083 7.178 7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.706 7.671 7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.170 8.406 5.602 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.305 9.686 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.871 9.479 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.554 11.104 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.192 11.739 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.175 12.359 7.015 1.00 0.00 H new ATOM 513 N ILE A 33 -11.393 2.874 5.660 1.00 0.00 N ATOM 514 CA ILE A 33 -11.087 1.441 5.375 1.00 0.00 C ATOM 515 C ILE A 33 -11.756 1.040 4.057 1.00 0.00 C ATOM 516 O ILE A 33 -12.852 0.513 4.043 1.00 0.00 O ATOM 517 CB ILE A 33 -11.625 0.568 6.516 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.985 1.011 7.839 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.302 -0.910 6.248 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.466 0.797 7.799 1.00 0.00 C ATOM 0 H ILE A 33 -12.370 3.071 5.877 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.009 1.301 5.295 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.707 0.683 6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.205 2.063 8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.416 0.446 8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.688 -1.521 7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.766 -1.220 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.222 -1.039 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.029 1.116 8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.252 -0.260 7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.037 1.382 6.985 1.00 0.00 H new ATOM 532 N PHE A 34 -11.100 1.288 2.952 1.00 0.00 N ATOM 533 CA PHE A 34 -11.689 0.925 1.632 1.00 0.00 C ATOM 534 C PHE A 34 -11.386 -0.543 1.326 1.00 0.00 C ATOM 535 O PHE A 34 -10.386 -0.866 0.712 1.00 0.00 O ATOM 536 CB PHE A 34 -11.087 1.812 0.542 1.00 0.00 C ATOM 537 CG PHE A 34 -11.828 3.128 0.508 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.962 3.271 -0.301 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.383 4.204 1.287 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.651 4.489 -0.331 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.073 5.421 1.257 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.207 5.564 0.448 1.00 0.00 C ATOM 0 H PHE A 34 -10.180 1.727 2.909 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.768 1.074 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.028 1.982 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.156 1.317 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.305 2.442 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.508 4.094 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.525 4.599 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.731 6.250 1.858 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.739 6.504 0.425 1.00 0.00 H new ATOM 552 N THR A 35 -12.245 -1.432 1.755 1.00 0.00 N ATOM 553 CA THR A 35 -12.020 -2.884 1.500 1.00 0.00 C ATOM 554 C THR A 35 -12.812 -3.320 0.266 1.00 0.00 C ATOM 555 O THR A 35 -13.475 -2.523 -0.372 1.00 0.00 O ATOM 556 CB THR A 35 -12.485 -3.695 2.718 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.323 -5.079 2.450 1.00 0.00 O ATOM 558 CG2 THR A 35 -13.960 -3.401 3.016 1.00 0.00 C ATOM 0 H THR A 35 -13.096 -1.212 2.273 1.00 0.00 H new ATOM 0 HA THR A 35 -10.958 -3.059 1.328 1.00 0.00 H new ATOM 0 HB THR A 35 -11.886 -3.414 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.617 -5.599 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.279 -3.982 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.084 -2.339 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.567 -3.674 2.153 1.00 0.00 H new ATOM 566 N ASP A 36 -12.749 -4.582 -0.067 1.00 0.00 N ATOM 567 CA ASP A 36 -13.496 -5.092 -1.251 1.00 0.00 C ATOM 568 C ASP A 36 -14.297 -6.327 -0.839 1.00 0.00 C ATOM 569 O ASP A 36 -13.741 -7.384 -0.608 1.00 0.00 O ATOM 570 CB ASP A 36 -12.505 -5.472 -2.354 1.00 0.00 C ATOM 571 CG ASP A 36 -11.765 -4.221 -2.828 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.198 -3.539 -1.990 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.775 -3.966 -4.021 1.00 0.00 O ATOM 0 H ASP A 36 -12.208 -5.286 0.435 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.171 -4.321 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.794 -6.209 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.033 -5.933 -3.189 1.00 0.00 H new ATOM 578 N LYS A 37 -15.598 -6.199 -0.739 1.00 0.00 N ATOM 579 CA LYS A 37 -16.437 -7.364 -0.336 1.00 0.00 C ATOM 580 C LYS A 37 -16.465 -8.390 -1.471 1.00 0.00 C ATOM 581 O LYS A 37 -17.460 -8.556 -2.154 1.00 0.00 O ATOM 582 CB LYS A 37 -17.860 -6.890 -0.024 1.00 0.00 C ATOM 583 CG LYS A 37 -18.471 -7.784 1.058 1.00 0.00 C ATOM 584 CD LYS A 37 -17.771 -7.528 2.398 1.00 0.00 C ATOM 585 CE LYS A 37 -17.618 -8.848 3.157 1.00 0.00 C ATOM 586 NZ LYS A 37 -18.954 -9.300 3.641 1.00 0.00 N ATOM 0 H LYS A 37 -16.112 -5.337 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.013 -7.827 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.844 -5.853 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.471 -6.923 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.538 -7.582 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.368 -8.832 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.793 -7.079 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.349 -6.820 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.179 -9.605 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.939 -8.719 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.843 -10.161 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.385 -8.551 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.568 -9.504 2.826 1.00 0.00 H new ATOM 600 N ALA A 38 -15.371 -9.077 -1.678 1.00 0.00 N ATOM 601 CA ALA A 38 -15.300 -10.100 -2.763 1.00 0.00 C ATOM 602 C ALA A 38 -16.394 -11.161 -2.569 1.00 0.00 C ATOM 603 O ALA A 38 -16.764 -11.850 -3.500 1.00 0.00 O ATOM 604 CB ALA A 38 -13.928 -10.776 -2.724 1.00 0.00 C ATOM 0 H ALA A 38 -14.514 -8.971 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.450 -9.610 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.869 -11.525 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.149 -10.028 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.787 -11.258 -1.756 1.00 0.00 H new ATOM 661 N ASP A 44 -15.458 -7.606 -5.871 1.00 0.00 N ATOM 662 CA ASP A 44 -15.916 -6.213 -5.597 1.00 0.00 C ATOM 663 C ASP A 44 -14.717 -5.261 -5.669 1.00 0.00 C ATOM 664 O ASP A 44 -14.259 -4.743 -4.667 1.00 0.00 O ATOM 665 CB ASP A 44 -16.547 -6.147 -4.203 1.00 0.00 C ATOM 666 CG ASP A 44 -17.919 -6.822 -4.232 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.011 -7.908 -4.780 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.855 -6.242 -3.707 1.00 0.00 O ATOM 0 HA ASP A 44 -16.657 -5.918 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.902 -6.641 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.647 -5.109 -3.886 1.00 0.00 H new ATOM 673 N ARG A 45 -14.206 -5.033 -6.852 1.00 0.00 N ATOM 674 CA ARG A 45 -13.036 -4.118 -7.005 1.00 0.00 C ATOM 675 C ARG A 45 -13.489 -2.668 -6.795 1.00 0.00 C ATOM 676 O ARG A 45 -13.445 -1.855 -7.700 1.00 0.00 O ATOM 677 CB ARG A 45 -12.445 -4.281 -8.408 1.00 0.00 C ATOM 678 CG ARG A 45 -11.637 -5.578 -8.477 1.00 0.00 C ATOM 679 CD ARG A 45 -10.630 -5.496 -9.629 1.00 0.00 C ATOM 680 NE ARG A 45 -10.515 -6.833 -10.287 1.00 0.00 N ATOM 681 CZ ARG A 45 -11.432 -7.267 -11.130 1.00 0.00 C ATOM 682 NH1 ARG A 45 -12.492 -6.549 -11.424 1.00 0.00 N ATOM 683 NH2 ARG A 45 -11.285 -8.440 -11.683 1.00 0.00 N ATOM 0 H ARG A 45 -14.550 -5.443 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.277 -4.366 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.243 -4.298 -9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.807 -3.430 -8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.114 -5.743 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.305 -6.427 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.951 -4.748 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.657 -5.179 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.709 -7.423 -10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.621 -5.632 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.186 -6.909 -12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.468 -9.009 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.987 -8.787 -12.337 1.00 0.00 H new ATOM 697 N LYS A 46 -13.922 -2.343 -5.605 1.00 0.00 N ATOM 698 CA LYS A 46 -14.380 -0.948 -5.321 1.00 0.00 C ATOM 699 C LYS A 46 -13.479 -0.297 -4.263 1.00 0.00 C ATOM 700 O LYS A 46 -13.492 0.907 -4.092 1.00 0.00 O ATOM 701 CB LYS A 46 -15.820 -0.982 -4.803 1.00 0.00 C ATOM 702 CG LYS A 46 -16.748 -1.510 -5.898 1.00 0.00 C ATOM 703 CD LYS A 46 -16.777 -0.523 -7.066 1.00 0.00 C ATOM 704 CE LYS A 46 -18.075 -0.705 -7.856 1.00 0.00 C ATOM 705 NZ LYS A 46 -17.844 -0.337 -9.281 1.00 0.00 N ATOM 0 H LYS A 46 -13.979 -2.985 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.328 -0.365 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.884 -1.618 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.131 0.017 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.404 -2.485 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.754 -1.649 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.705 0.499 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.917 -0.687 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.414 -1.739 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.862 -0.082 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.726 -0.460 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.540 0.656 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.105 -0.949 -9.682 1.00 0.00 H new ATOM 719 N GLY A 47 -12.706 -1.077 -3.544 1.00 0.00 N ATOM 720 CA GLY A 47 -11.821 -0.499 -2.491 1.00 0.00 C ATOM 721 C GLY A 47 -10.776 0.427 -3.121 1.00 0.00 C ATOM 722 O GLY A 47 -10.518 1.503 -2.616 1.00 0.00 O ATOM 0 H GLY A 47 -12.652 -2.091 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.419 0.056 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.324 -1.300 -1.945 1.00 0.00 H new ATOM 726 N LEU A 48 -10.177 0.026 -4.218 1.00 0.00 N ATOM 727 CA LEU A 48 -9.144 0.907 -4.865 1.00 0.00 C ATOM 728 C LEU A 48 -9.837 1.849 -5.850 1.00 0.00 C ATOM 729 O LEU A 48 -9.388 2.957 -6.073 1.00 0.00 O ATOM 730 CB LEU A 48 -8.035 0.115 -5.615 1.00 0.00 C ATOM 731 CG LEU A 48 -8.434 -1.336 -5.901 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.533 -1.359 -6.967 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.211 -2.100 -6.418 1.00 0.00 C ATOM 0 H LEU A 48 -10.353 -0.861 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.652 1.458 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.809 0.617 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.122 0.126 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.802 -1.803 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.819 -2.391 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.401 -0.807 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.162 -0.896 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.488 -3.134 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.850 -1.632 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.423 -2.078 -5.665 1.00 0.00 H new ATOM 745 N ASP A 49 -10.938 1.430 -6.430 1.00 0.00 N ATOM 746 CA ASP A 49 -11.668 2.317 -7.389 1.00 0.00 C ATOM 747 C ASP A 49 -12.047 3.612 -6.668 1.00 0.00 C ATOM 748 O ASP A 49 -12.070 4.681 -7.250 1.00 0.00 O ATOM 749 CB ASP A 49 -12.935 1.616 -7.882 1.00 0.00 C ATOM 750 CG ASP A 49 -12.552 0.477 -8.829 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.614 -0.237 -8.516 1.00 0.00 O ATOM 752 OD2 ASP A 49 -13.204 0.340 -9.851 1.00 0.00 O ATOM 0 H ASP A 49 -11.361 0.514 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.031 2.539 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.500 1.225 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.581 2.328 -8.395 1.00 0.00 H new ATOM 757 N LEU A 50 -12.316 3.517 -5.391 1.00 0.00 N ATOM 758 CA LEU A 50 -12.665 4.725 -4.597 1.00 0.00 C ATOM 759 C LEU A 50 -11.368 5.312 -4.036 1.00 0.00 C ATOM 760 O LEU A 50 -11.221 6.513 -3.912 1.00 0.00 O ATOM 761 CB LEU A 50 -13.599 4.334 -3.450 1.00 0.00 C ATOM 762 CG LEU A 50 -14.800 3.567 -4.009 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.529 2.857 -2.868 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.757 4.546 -4.694 1.00 0.00 C ATOM 0 H LEU A 50 -12.308 2.644 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.172 5.460 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.065 3.718 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.937 5.226 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.454 2.830 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.384 2.311 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.849 2.159 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.875 3.594 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.612 4.000 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.103 5.284 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.238 5.052 -5.508 1.00 0.00 H new ATOM 776 N LEU A 51 -10.416 4.465 -3.716 1.00 0.00 N ATOM 777 CA LEU A 51 -9.109 4.958 -3.184 1.00 0.00 C ATOM 778 C LEU A 51 -8.448 5.831 -4.252 1.00 0.00 C ATOM 779 O LEU A 51 -7.799 6.815 -3.953 1.00 0.00 O ATOM 780 CB LEU A 51 -8.202 3.764 -2.868 1.00 0.00 C ATOM 781 CG LEU A 51 -7.334 4.076 -1.648 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.211 4.127 -0.393 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.276 2.982 -1.485 1.00 0.00 C ATOM 0 H LEU A 51 -10.491 3.451 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.270 5.536 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.807 2.878 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.570 3.540 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.845 5.040 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.591 4.349 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.966 4.904 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.701 3.163 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.656 3.202 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.767 2.019 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.651 2.945 -2.377 1.00 0.00 H new ATOM 795 N ARG A 52 -8.624 5.476 -5.500 1.00 0.00 N ATOM 796 CA ARG A 52 -8.029 6.277 -6.608 1.00 0.00 C ATOM 797 C ARG A 52 -8.647 7.677 -6.605 1.00 0.00 C ATOM 798 O ARG A 52 -8.027 8.640 -7.013 1.00 0.00 O ATOM 799 CB ARG A 52 -8.317 5.588 -7.944 1.00 0.00 C ATOM 800 CG ARG A 52 -7.392 4.378 -8.099 1.00 0.00 C ATOM 801 CD ARG A 52 -8.010 3.384 -9.084 1.00 0.00 C ATOM 802 NE ARG A 52 -8.286 4.074 -10.383 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.507 3.394 -11.490 1.00 0.00 C ATOM 804 NH1 ARG A 52 -8.498 2.079 -11.504 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.740 4.040 -12.599 1.00 0.00 N ATOM 0 H ARG A 52 -9.158 4.660 -5.799 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.951 6.356 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.359 5.271 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.163 6.286 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.413 4.699 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.237 3.899 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.333 2.545 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.934 2.976 -8.674 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.303 5.093 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.317 1.561 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.672 1.577 -12.375 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.750 5.060 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.912 3.525 -13.462 1.00 0.00 H new ATOM 819 N MET A 53 -9.870 7.794 -6.144 1.00 0.00 N ATOM 820 CA MET A 53 -10.539 9.126 -6.105 1.00 0.00 C ATOM 821 C MET A 53 -10.783 9.573 -4.650 1.00 0.00 C ATOM 822 O MET A 53 -11.557 10.478 -4.400 1.00 0.00 O ATOM 823 CB MET A 53 -11.863 9.047 -6.896 1.00 0.00 C ATOM 824 CG MET A 53 -12.929 8.221 -6.142 1.00 0.00 C ATOM 825 SD MET A 53 -14.547 9.025 -6.285 1.00 0.00 S ATOM 826 CE MET A 53 -14.641 9.652 -4.590 1.00 0.00 C ATOM 0 H MET A 53 -10.433 7.019 -5.793 1.00 0.00 H new ATOM 0 HA MET A 53 -9.893 9.872 -6.567 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.241 10.054 -7.074 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.678 8.598 -7.872 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.977 7.212 -6.552 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.652 8.126 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.681 9.853 -4.333 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.235 8.909 -3.904 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.063 10.573 -4.510 1.00 0.00 H new ATOM 836 N LYS A 54 -10.138 8.944 -3.695 1.00 0.00 N ATOM 837 CA LYS A 54 -10.345 9.332 -2.267 1.00 0.00 C ATOM 838 C LYS A 54 -9.014 9.759 -1.635 1.00 0.00 C ATOM 839 O LYS A 54 -8.981 10.610 -0.767 1.00 0.00 O ATOM 840 CB LYS A 54 -10.914 8.139 -1.496 1.00 0.00 C ATOM 841 CG LYS A 54 -11.290 8.578 -0.079 1.00 0.00 C ATOM 842 CD LYS A 54 -12.669 9.243 -0.099 1.00 0.00 C ATOM 843 CE LYS A 54 -12.872 10.034 1.194 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.327 10.289 1.396 1.00 0.00 N ATOM 0 H LYS A 54 -9.479 8.180 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.042 10.169 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.790 7.745 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.179 7.335 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.299 7.717 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.545 9.273 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.753 9.906 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.448 8.487 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.468 9.478 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.330 10.978 1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.466 10.827 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.698 10.836 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.833 9.382 1.461 1.00 0.00 H new ATOM 858 N VAL A 55 -7.919 9.171 -2.055 1.00 0.00 N ATOM 859 CA VAL A 55 -6.589 9.536 -1.473 1.00 0.00 C ATOM 860 C VAL A 55 -6.339 11.040 -1.627 1.00 0.00 C ATOM 861 O VAL A 55 -6.611 11.622 -2.659 1.00 0.00 O ATOM 862 CB VAL A 55 -5.485 8.762 -2.198 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.653 7.266 -1.933 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.572 9.026 -3.703 1.00 0.00 C ATOM 0 H VAL A 55 -7.890 8.452 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.584 9.281 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.513 9.091 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.867 6.715 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.586 7.076 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.626 6.939 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.785 8.473 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.544 8.701 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.450 10.092 -3.893 1.00 0.00 H new ATOM 874 N GLU A 56 -5.813 11.667 -0.604 1.00 0.00 N ATOM 875 CA GLU A 56 -5.532 13.130 -0.680 1.00 0.00 C ATOM 876 C GLU A 56 -4.076 13.331 -1.102 1.00 0.00 C ATOM 877 O GLU A 56 -3.220 12.527 -0.791 1.00 0.00 O ATOM 878 CB GLU A 56 -5.763 13.768 0.694 1.00 0.00 C ATOM 879 CG GLU A 56 -7.160 14.393 0.740 1.00 0.00 C ATOM 880 CD GLU A 56 -7.495 14.792 2.178 1.00 0.00 C ATOM 881 OE1 GLU A 56 -7.006 15.821 2.617 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.232 14.061 2.819 1.00 0.00 O ATOM 0 H GLU A 56 -5.566 11.226 0.282 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.195 13.599 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.664 13.016 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.006 14.529 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.200 15.267 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.899 13.684 0.367 1.00 0.00 H new ATOM 889 N GLU A 57 -3.789 14.394 -1.810 1.00 0.00 N ATOM 890 CA GLU A 57 -2.385 14.642 -2.258 1.00 0.00 C ATOM 891 C GLU A 57 -1.460 14.741 -1.044 1.00 0.00 C ATOM 892 O GLU A 57 -1.390 15.761 -0.384 1.00 0.00 O ATOM 893 CB GLU A 57 -2.326 15.945 -3.058 1.00 0.00 C ATOM 894 CG GLU A 57 -0.927 16.112 -3.658 1.00 0.00 C ATOM 895 CD GLU A 57 -0.050 16.911 -2.691 1.00 0.00 C ATOM 896 OE1 GLU A 57 -0.456 17.996 -2.312 1.00 0.00 O ATOM 897 OE2 GLU A 57 1.014 16.421 -2.346 1.00 0.00 O ATOM 0 H GLU A 57 -4.466 15.101 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.058 13.814 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.074 15.932 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.560 16.792 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.482 15.135 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.990 16.625 -4.618 1.00 0.00 H new ATOM 904 N GLY A 58 -0.751 13.682 -0.753 1.00 0.00 N ATOM 905 CA GLY A 58 0.178 13.691 0.413 1.00 0.00 C ATOM 906 C GLY A 58 -0.321 12.723 1.493 1.00 0.00 C ATOM 907 O GLY A 58 0.069 12.820 2.641 1.00 0.00 O ATOM 0 H GLY A 58 -0.776 12.807 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.180 13.405 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.250 14.699 0.822 1.00 0.00 H new ATOM 911 N ASP A 59 -1.177 11.788 1.139 1.00 0.00 N ATOM 912 CA ASP A 59 -1.686 10.822 2.159 1.00 0.00 C ATOM 913 C ASP A 59 -0.914 9.502 2.052 1.00 0.00 C ATOM 914 O ASP A 59 0.028 9.387 1.290 1.00 0.00 O ATOM 915 CB ASP A 59 -3.187 10.575 1.939 1.00 0.00 C ATOM 916 CG ASP A 59 -3.432 9.966 0.553 1.00 0.00 C ATOM 917 OD1 ASP A 59 -2.612 10.179 -0.323 1.00 0.00 O ATOM 918 OD2 ASP A 59 -4.439 9.295 0.396 1.00 0.00 O ATOM 0 H ASP A 59 -1.540 11.656 0.195 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.539 11.239 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.568 9.905 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.734 11.513 2.033 1.00 0.00 H new ATOM 923 N VAL A 60 -1.307 8.507 2.810 1.00 0.00 N ATOM 924 CA VAL A 60 -0.597 7.189 2.754 1.00 0.00 C ATOM 925 C VAL A 60 -1.621 6.074 2.536 1.00 0.00 C ATOM 926 O VAL A 60 -2.758 6.171 2.963 1.00 0.00 O ATOM 927 CB VAL A 60 0.166 6.921 4.064 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.528 7.614 4.011 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.627 7.438 5.272 1.00 0.00 C ATOM 0 H VAL A 60 -2.088 8.550 3.465 1.00 0.00 H new ATOM 0 HA VAL A 60 0.118 7.215 1.931 1.00 0.00 H new ATOM 0 HB VAL A 60 0.302 5.845 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.069 7.425 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.102 7.225 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.385 8.687 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.069 7.238 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.785 8.512 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.591 6.932 5.318 1.00 0.00 H new ATOM 939 N ILE A 61 -1.227 5.017 1.871 1.00 0.00 N ATOM 940 CA ILE A 61 -2.169 3.891 1.616 1.00 0.00 C ATOM 941 C ILE A 61 -1.596 2.600 2.213 1.00 0.00 C ATOM 942 O ILE A 61 -0.785 1.929 1.603 1.00 0.00 O ATOM 943 CB ILE A 61 -2.358 3.740 0.099 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.966 5.029 -0.455 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.294 2.566 -0.209 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.523 5.224 -1.906 1.00 0.00 C ATOM 0 H ILE A 61 -0.288 4.888 1.493 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.133 4.093 2.082 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.390 3.548 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.054 4.983 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.652 5.880 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.418 2.473 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.866 1.646 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.265 2.744 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.958 6.143 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.436 5.289 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.860 4.378 -2.506 1.00 0.00 H new ATOM 958 N LEU A 62 -2.021 2.253 3.401 1.00 0.00 N ATOM 959 CA LEU A 62 -1.518 1.005 4.052 1.00 0.00 C ATOM 960 C LEU A 62 -2.251 -0.200 3.449 1.00 0.00 C ATOM 961 O LEU A 62 -3.462 -0.204 3.343 1.00 0.00 O ATOM 962 CB LEU A 62 -1.798 1.078 5.562 1.00 0.00 C ATOM 963 CG LEU A 62 -0.481 1.170 6.336 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.776 1.388 7.822 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.306 -0.130 6.159 1.00 0.00 C ATOM 0 H LEU A 62 -2.698 2.783 3.951 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.446 0.901 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.420 1.945 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.355 0.197 5.880 1.00 0.00 H new ATOM 0 HG LEU A 62 0.106 2.006 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.162 1.454 8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.337 2.314 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.363 0.552 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.244 -0.065 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.281 -0.966 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.517 -0.287 5.101 1.00 0.00 H new ATOM 977 N VAL A 63 -1.526 -1.217 3.055 1.00 0.00 N ATOM 978 CA VAL A 63 -2.184 -2.420 2.460 1.00 0.00 C ATOM 979 C VAL A 63 -1.831 -3.658 3.288 1.00 0.00 C ATOM 980 O VAL A 63 -0.692 -4.083 3.329 1.00 0.00 O ATOM 981 CB VAL A 63 -1.701 -2.609 1.022 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.493 -3.738 0.362 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.918 -1.312 0.238 1.00 0.00 C ATOM 0 H VAL A 63 -0.509 -1.266 3.119 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.265 -2.280 2.462 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.641 -2.862 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.149 -3.873 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.343 -4.662 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.553 -3.485 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.574 -1.445 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.979 -1.062 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.356 -0.505 0.707 1.00 0.00 H new ATOM 1207 N ILE A 77 0.945 -2.927 -9.739 1.00 0.00 N ATOM 1208 CA ILE A 77 1.779 -1.779 -10.191 1.00 0.00 C ATOM 1209 C ILE A 77 0.866 -0.643 -10.673 1.00 0.00 C ATOM 1210 O ILE A 77 1.255 0.509 -10.675 1.00 0.00 O ATOM 1211 CB ILE A 77 2.692 -2.251 -11.330 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.619 -3.357 -10.803 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.538 -1.079 -11.851 1.00 0.00 C ATOM 1214 CD1 ILE A 77 3.060 -4.733 -11.183 1.00 0.00 C ATOM 0 HA ILE A 77 2.391 -1.409 -9.368 1.00 0.00 H new ATOM 0 HB ILE A 77 2.080 -2.635 -12.147 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.619 -3.234 -11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.712 -3.279 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.182 -1.426 -12.659 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.881 -0.293 -12.223 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.152 -0.685 -11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.723 -5.512 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.069 -4.857 -10.746 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.990 -4.810 -12.268 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.341 -0.959 -11.082 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.273 0.102 -11.565 1.00 0.00 C ATOM 1228 C GLN A 78 -1.551 1.097 -10.433 1.00 0.00 C ATOM 1229 O GLN A 78 -1.063 2.212 -10.451 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.584 -0.546 -12.031 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.897 -0.118 -13.469 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.566 1.258 -13.460 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -4.718 1.382 -13.094 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -2.888 2.302 -13.848 1.00 0.00 N ATOM 0 H GLN A 78 -0.718 -1.907 -11.101 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.820 0.635 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.503 -1.632 -11.975 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.399 -0.253 -11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.980 -0.084 -14.057 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.552 -0.849 -13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.921 2.197 -14.155 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.325 3.224 -13.844 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.340 0.711 -9.457 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.650 1.654 -8.338 1.00 0.00 C ATOM 1245 C LEU A 79 -1.369 2.042 -7.581 1.00 0.00 C ATOM 1246 O LEU A 79 -1.362 3.007 -6.841 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.727 1.060 -7.386 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.209 -0.072 -6.461 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.397 -1.106 -7.239 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.360 0.507 -5.323 1.00 0.00 C ATOM 0 H LEU A 79 -2.778 -0.208 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.067 2.566 -8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.130 1.862 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.552 0.674 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.081 -0.572 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.051 -1.884 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.022 -1.553 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.538 -0.620 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.006 -0.303 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.506 1.040 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.964 1.196 -4.733 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.278 1.332 -7.773 1.00 0.00 N ATOM 1263 CA ILE A 80 0.987 1.699 -7.073 1.00 0.00 C ATOM 1264 C ILE A 80 1.676 2.799 -7.887 1.00 0.00 C ATOM 1265 O ILE A 80 2.328 3.666 -7.340 1.00 0.00 O ATOM 1266 CB ILE A 80 1.883 0.448 -6.944 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.323 -0.447 -5.834 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.330 0.833 -6.587 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.091 -1.770 -5.801 1.00 0.00 C ATOM 0 H ILE A 80 -0.215 0.517 -8.384 1.00 0.00 H new ATOM 0 HA ILE A 80 0.788 2.070 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 80 1.889 -0.074 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.406 0.057 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.263 -0.635 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.936 -0.069 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.739 1.474 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.341 1.367 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.690 -2.404 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.985 -2.276 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.146 -1.574 -5.609 1.00 0.00 H new ATOM 1281 N LYS A 81 1.517 2.774 -9.185 1.00 0.00 N ATOM 1282 CA LYS A 81 2.135 3.817 -10.038 1.00 0.00 C ATOM 1283 C LYS A 81 1.151 4.997 -10.122 1.00 0.00 C ATOM 1284 O LYS A 81 1.549 6.141 -10.225 1.00 0.00 O ATOM 1285 CB LYS A 81 2.431 3.190 -11.421 1.00 0.00 C ATOM 1286 CG LYS A 81 2.488 4.250 -12.528 1.00 0.00 C ATOM 1287 CD LYS A 81 1.068 4.493 -13.060 1.00 0.00 C ATOM 1288 CE LYS A 81 0.958 4.014 -14.511 1.00 0.00 C ATOM 1289 NZ LYS A 81 0.192 5.013 -15.307 1.00 0.00 N ATOM 0 H LYS A 81 0.980 2.068 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 81 3.076 4.189 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.380 2.655 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.661 2.457 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.909 5.178 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.141 3.917 -13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.344 3.965 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.826 5.554 -13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.952 3.879 -14.937 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.461 3.045 -14.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.117 4.688 -16.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.761 5.121 -14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.684 5.929 -15.281 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.131 4.718 -10.063 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.144 5.813 -10.119 1.00 0.00 C ATOM 1305 C GLU A 82 -0.975 6.709 -8.893 1.00 0.00 C ATOM 1306 O GLU A 82 -0.786 7.906 -9.010 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.551 5.210 -10.124 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.499 6.129 -10.896 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.401 5.825 -12.392 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.914 4.796 -12.801 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -2.818 6.625 -13.102 1.00 0.00 O ATOM 0 H GLU A 82 -0.516 3.777 -9.978 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.003 6.400 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.533 4.221 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.906 5.080 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.523 5.985 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.244 7.172 -10.709 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.024 6.133 -7.716 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.849 6.943 -6.474 1.00 0.00 C ATOM 1320 C PHE A 83 0.568 7.528 -6.458 1.00 0.00 C ATOM 1321 O PHE A 83 0.809 8.571 -5.878 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.050 6.055 -5.239 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.506 5.649 -5.119 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.519 6.611 -5.214 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.839 4.304 -4.906 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.861 6.229 -5.101 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.182 3.923 -4.793 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.192 4.886 -4.892 1.00 0.00 C ATOM 0 H PHE A 83 -1.178 5.136 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.584 7.747 -6.456 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.422 5.167 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.739 6.591 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.265 7.648 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.059 3.561 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.641 6.972 -5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.438 2.887 -4.630 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.228 4.592 -4.807 1.00 0.00 H new ATOM 1338 N ASP A 84 1.504 6.865 -7.098 1.00 0.00 N ATOM 1339 CA ASP A 84 2.905 7.377 -7.135 1.00 0.00 C ATOM 1340 C ASP A 84 2.923 8.762 -7.783 1.00 0.00 C ATOM 1341 O ASP A 84 3.443 9.713 -7.231 1.00 0.00 O ATOM 1342 CB ASP A 84 3.771 6.423 -7.963 1.00 0.00 C ATOM 1343 CG ASP A 84 5.236 6.855 -7.879 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.542 7.936 -8.356 1.00 0.00 O ATOM 1345 OD2 ASP A 84 6.026 6.100 -7.338 1.00 0.00 O ATOM 0 H ASP A 84 1.353 5.988 -7.597 1.00 0.00 H new ATOM 0 HA ASP A 84 3.296 7.442 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.661 5.403 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.440 6.424 -9.002 1.00 0.00 H new ATOM 1350 N ALA A 85 2.349 8.875 -8.952 1.00 0.00 N ATOM 1351 CA ALA A 85 2.315 10.190 -9.654 1.00 0.00 C ATOM 1352 C ALA A 85 1.358 11.147 -8.931 1.00 0.00 C ATOM 1353 O ALA A 85 1.431 12.349 -9.107 1.00 0.00 O ATOM 1354 CB ALA A 85 1.837 9.984 -11.093 1.00 0.00 C ATOM 0 H ALA A 85 1.900 8.108 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 85 3.316 10.621 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.811 10.944 -11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.521 9.312 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.838 9.549 -11.086 1.00 0.00 H new ATOM 1360 N GLN A 86 0.460 10.630 -8.121 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.495 11.515 -7.396 1.00 0.00 C ATOM 1362 C GLN A 86 0.176 12.138 -6.157 1.00 0.00 C ATOM 1363 O GLN A 86 -0.453 12.871 -5.418 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.713 10.684 -6.961 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.943 11.094 -7.778 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.608 12.307 -7.126 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -2.952 13.096 -6.476 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.891 12.490 -7.275 1.00 0.00 N ATOM 0 H GLN A 86 0.352 9.633 -7.935 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.809 12.321 -8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.509 9.623 -7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.905 10.833 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.650 11.332 -8.801 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.649 10.265 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.441 11.827 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.344 13.296 -6.845 1.00 0.00 H new ATOM 1377 N GLY A 87 1.439 11.856 -5.919 1.00 0.00 N ATOM 1378 CA GLY A 87 2.123 12.439 -4.727 1.00 0.00 C ATOM 1379 C GLY A 87 1.627 11.733 -3.466 1.00 0.00 C ATOM 1380 O GLY A 87 1.547 12.320 -2.403 1.00 0.00 O ATOM 0 H GLY A 87 2.019 11.250 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.203 12.325 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.920 13.508 -4.663 1.00 0.00 H new ATOM 1384 N VAL A 88 1.290 10.474 -3.581 1.00 0.00 N ATOM 1385 CA VAL A 88 0.792 9.712 -2.400 1.00 0.00 C ATOM 1386 C VAL A 88 1.752 8.557 -2.105 1.00 0.00 C ATOM 1387 O VAL A 88 2.437 8.064 -2.981 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.616 9.175 -2.708 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.110 8.267 -1.573 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.579 10.355 -2.856 1.00 0.00 C ATOM 0 H VAL A 88 1.339 9.939 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 88 0.742 10.360 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.577 8.596 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.108 7.898 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.429 7.424 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.145 8.834 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.580 9.983 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.599 10.927 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.245 10.997 -3.671 1.00 0.00 H new ATOM 1400 N SER A 89 1.799 8.124 -0.872 1.00 0.00 N ATOM 1401 CA SER A 89 2.702 7.003 -0.500 1.00 0.00 C ATOM 1402 C SER A 89 1.864 5.763 -0.186 1.00 0.00 C ATOM 1403 O SER A 89 0.729 5.864 0.239 1.00 0.00 O ATOM 1404 CB SER A 89 3.516 7.392 0.736 1.00 0.00 C ATOM 1405 OG SER A 89 4.587 8.240 0.345 1.00 0.00 O ATOM 0 H SER A 89 1.245 8.504 -0.104 1.00 0.00 H new ATOM 0 HA SER A 89 3.378 6.789 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.879 7.901 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.904 6.499 1.226 1.00 0.00 H new ATOM 0 HG SER A 89 5.109 8.492 1.135 1.00 0.00 H new ATOM 1411 N ILE A 90 2.417 4.596 -0.391 1.00 0.00 N ATOM 1412 CA ILE A 90 1.661 3.343 -0.105 1.00 0.00 C ATOM 1413 C ILE A 90 2.472 2.480 0.861 1.00 0.00 C ATOM 1414 O ILE A 90 3.597 2.112 0.584 1.00 0.00 O ATOM 1415 CB ILE A 90 1.411 2.584 -1.410 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.679 3.512 -2.391 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.554 1.342 -1.128 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.413 2.781 -3.708 1.00 0.00 C ATOM 0 H ILE A 90 3.363 4.458 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 90 0.700 3.585 0.349 1.00 0.00 H new ATOM 0 HB ILE A 90 2.360 2.267 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.263 3.845 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.278 4.404 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.377 0.803 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.076 0.692 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.400 1.648 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.106 3.448 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.360 2.470 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.205 1.903 -3.519 1.00 0.00 H new ATOM 1430 N ARG A 91 1.904 2.166 1.994 1.00 0.00 N ATOM 1431 CA ARG A 91 2.628 1.335 2.999 1.00 0.00 C ATOM 1432 C ARG A 91 2.233 -0.135 2.833 1.00 0.00 C ATOM 1433 O ARG A 91 1.158 -0.448 2.360 1.00 0.00 O ATOM 1434 CB ARG A 91 2.252 1.814 4.401 1.00 0.00 C ATOM 1435 CG ARG A 91 3.259 2.865 4.867 1.00 0.00 C ATOM 1436 CD ARG A 91 3.028 3.173 6.349 1.00 0.00 C ATOM 1437 NE ARG A 91 4.332 3.526 6.991 1.00 0.00 N ATOM 1438 CZ ARG A 91 4.911 4.692 6.777 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.372 5.594 5.989 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.049 4.954 7.362 1.00 0.00 N ATOM 0 H ARG A 91 0.964 2.451 2.268 1.00 0.00 H new ATOM 0 HA ARG A 91 3.704 1.432 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.247 2.235 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.241 0.973 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.276 2.503 4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.152 3.774 4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.323 3.997 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.587 2.310 6.847 1.00 0.00 H new ATOM 0 HE ARG A 91 4.783 2.851 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.484 5.401 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.841 6.488 5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.479 4.261 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.508 5.851 7.206 1.00 0.00 H new ATOM 1454 N PHE A 92 3.099 -1.035 3.226 1.00 0.00 N ATOM 1455 CA PHE A 92 2.788 -2.489 3.099 1.00 0.00 C ATOM 1456 C PHE A 92 3.063 -3.181 4.436 1.00 0.00 C ATOM 1457 O PHE A 92 4.108 -3.000 5.030 1.00 0.00 O ATOM 1458 CB PHE A 92 3.670 -3.106 2.011 1.00 0.00 C ATOM 1459 CG PHE A 92 3.142 -2.717 0.652 1.00 0.00 C ATOM 1460 CD1 PHE A 92 1.831 -3.051 0.289 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.961 -2.023 -0.247 1.00 0.00 C ATOM 1462 CE1 PHE A 92 1.339 -2.691 -0.970 1.00 0.00 C ATOM 1463 CE2 PHE A 92 3.468 -1.663 -1.507 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.157 -1.997 -1.870 1.00 0.00 C ATOM 0 H PHE A 92 4.011 -0.823 3.631 1.00 0.00 H new ATOM 0 HA PHE A 92 1.740 -2.618 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.699 -2.764 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.683 -4.191 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.199 -3.587 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.972 -1.766 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.328 -2.948 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.099 -1.127 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.778 -1.720 -2.842 1.00 0.00 H new ATOM 1474 N ILE A 93 2.133 -3.967 4.912 1.00 0.00 N ATOM 1475 CA ILE A 93 2.334 -4.671 6.213 1.00 0.00 C ATOM 1476 C ILE A 93 3.531 -5.628 6.112 1.00 0.00 C ATOM 1477 O ILE A 93 4.138 -5.974 7.108 1.00 0.00 O ATOM 1478 CB ILE A 93 1.058 -5.455 6.567 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.253 -6.195 7.899 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.748 -6.465 5.457 1.00 0.00 C ATOM 1481 CD1 ILE A 93 -0.045 -6.898 8.297 1.00 0.00 C ATOM 0 H ILE A 93 1.240 -4.152 4.454 1.00 0.00 H new ATOM 0 HA ILE A 93 2.538 -3.940 6.995 1.00 0.00 H new ATOM 0 HB ILE A 93 0.226 -4.758 6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.058 -6.924 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.549 -5.491 8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.156 -7.018 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.598 -5.936 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.582 -7.160 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.100 -7.421 9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.839 -6.160 8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.322 -7.615 7.524 1.00 0.00 H new