USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.236 K(o=0.28,f=-0.69) USER MOD Set 1.3: A 81 THR OG1 : rot -101:sc= 0.0441 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.955 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.319 USER MOD Single : A 19 THR OG1 : rot -179:sc=-0.00421 USER MOD Single : A 23 ASN : amide:sc= 0.968 K(o=0.97,f=-0.29) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.034) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 30 SER OG : rot 88:sc= 0.682 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= 0.351 (180deg=-2.12!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 94:sc= 1.04 USER MOD Single : A 49 ASN : amide:sc= -0.407 K(o=-0.41,f=-2.7!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.14 K(o=1.1,f=-0.034) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -1.73! (180deg=-3.03!) USER MOD Single : A 75 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.303 9.011 3.297 1.00 0.00 N ATOM 82 CA PRO A 6 -7.109 9.285 4.105 1.00 0.00 C ATOM 83 C PRO A 6 -6.525 8.022 4.735 1.00 0.00 C ATOM 84 O PRO A 6 -7.246 7.065 5.034 1.00 0.00 O ATOM 85 CB PRO A 6 -7.604 10.246 5.190 1.00 0.00 C ATOM 86 CG PRO A 6 -9.085 10.081 5.221 1.00 0.00 C ATOM 87 CD PRO A 6 -9.496 9.688 3.830 1.00 0.00 C ATOM 0 HA PRO A 6 -6.304 9.697 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.162 10.007 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.328 11.275 4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.376 9.317 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.573 11.008 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.362 9.026 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.765 10.557 3.230 1.00 0.00 H new ATOM 95 N ILE A 7 -5.218 8.040 4.957 1.00 0.00 N ATOM 96 CA ILE A 7 -4.506 6.868 5.453 1.00 0.00 C ATOM 97 C ILE A 7 -4.921 6.527 6.883 1.00 0.00 C ATOM 98 O ILE A 7 -4.853 5.374 7.293 1.00 0.00 O ATOM 99 CB ILE A 7 -2.971 7.058 5.374 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.241 5.770 5.757 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.518 8.205 6.261 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.553 4.603 4.847 1.00 0.00 C ATOM 0 H ILE A 7 -4.626 8.856 4.801 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.780 6.034 4.807 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.720 7.303 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.167 5.953 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.506 5.503 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.436 8.317 6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.001 9.127 5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.791 7.995 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.000 3.724 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.622 4.392 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.262 4.850 3.826 1.00 0.00 H new ATOM 114 N THR A 8 -5.390 7.526 7.627 1.00 0.00 N ATOM 115 CA THR A 8 -5.836 7.305 8.997 1.00 0.00 C ATOM 116 C THR A 8 -7.008 6.318 9.035 1.00 0.00 C ATOM 117 O THR A 8 -7.269 5.687 10.057 1.00 0.00 O ATOM 118 CB THR A 8 -6.241 8.630 9.688 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.548 8.398 11.068 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.442 9.267 9.000 1.00 0.00 C ATOM 0 H THR A 8 -5.470 8.491 7.305 1.00 0.00 H new ATOM 0 HA THR A 8 -4.995 6.880 9.545 1.00 0.00 H new ATOM 0 HB THR A 8 -5.396 9.314 9.613 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.801 9.244 11.494 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.702 10.196 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.195 9.480 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.289 8.582 9.039 1.00 0.00 H new ATOM 128 N GLU A 9 -7.698 6.181 7.910 1.00 0.00 N ATOM 129 CA GLU A 9 -8.794 5.231 7.795 1.00 0.00 C ATOM 130 C GLU A 9 -8.310 3.943 7.139 1.00 0.00 C ATOM 131 O GLU A 9 -8.503 2.844 7.666 1.00 0.00 O ATOM 132 CB GLU A 9 -9.937 5.837 6.973 1.00 0.00 C ATOM 133 CG GLU A 9 -10.538 7.090 7.589 1.00 0.00 C ATOM 134 CD GLU A 9 -11.200 6.819 8.925 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.486 6.766 9.945 1.00 0.00 O ATOM 136 OE2 GLU A 9 -12.434 6.650 8.965 1.00 0.00 O ATOM 0 H GLU A 9 -7.516 6.718 7.062 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.160 5.002 8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.568 6.075 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.722 5.090 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.756 7.838 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.272 7.513 6.903 1.00 0.00 H new ATOM 143 N VAL A 10 -7.640 4.090 6.004 1.00 0.00 N ATOM 144 CA VAL A 10 -7.258 2.945 5.187 1.00 0.00 C ATOM 145 C VAL A 10 -6.216 2.068 5.878 1.00 0.00 C ATOM 146 O VAL A 10 -6.272 0.849 5.769 1.00 0.00 O ATOM 147 CB VAL A 10 -6.736 3.395 3.807 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.280 2.204 2.980 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.813 4.172 3.067 1.00 0.00 C ATOM 0 H VAL A 10 -7.349 4.992 5.627 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.159 2.348 5.046 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.875 4.045 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.917 2.551 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.478 1.683 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.118 1.523 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.433 4.484 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.689 3.538 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.091 5.052 3.648 1.00 0.00 H new ATOM 159 N LEU A 11 -5.287 2.684 6.602 1.00 0.00 N ATOM 160 CA LEU A 11 -4.219 1.948 7.279 1.00 0.00 C ATOM 161 C LEU A 11 -4.768 0.861 8.223 1.00 0.00 C ATOM 162 O LEU A 11 -4.500 -0.324 8.011 1.00 0.00 O ATOM 163 CB LEU A 11 -3.299 2.927 8.025 1.00 0.00 C ATOM 164 CG LEU A 11 -2.437 2.321 9.133 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.497 1.265 8.581 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.658 3.416 9.844 1.00 0.00 C ATOM 0 H LEU A 11 -5.250 3.694 6.737 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.636 1.428 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.641 3.402 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.915 3.714 8.460 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.095 1.833 9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.897 0.852 9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.078 0.468 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.840 1.716 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.047 2.975 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.014 3.928 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.354 4.132 10.282 1.00 0.00 H new ATOM 178 N PRO A 12 -5.531 1.228 9.276 1.00 0.00 N ATOM 179 CA PRO A 12 -6.078 0.246 10.219 1.00 0.00 C ATOM 180 C PRO A 12 -7.095 -0.699 9.579 1.00 0.00 C ATOM 181 O PRO A 12 -7.290 -1.817 10.052 1.00 0.00 O ATOM 182 CB PRO A 12 -6.752 1.107 11.293 1.00 0.00 C ATOM 183 CG PRO A 12 -7.012 2.413 10.632 1.00 0.00 C ATOM 184 CD PRO A 12 -5.897 2.605 9.652 1.00 0.00 C ATOM 0 HA PRO A 12 -5.296 -0.408 10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.678 0.650 11.642 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.108 1.227 12.164 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.979 2.410 10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.035 3.223 11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.218 3.186 8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.057 3.136 10.099 1.00 0.00 H new ATOM 192 N ARG A 13 -7.746 -0.257 8.507 1.00 0.00 N ATOM 193 CA ARG A 13 -8.745 -1.079 7.841 1.00 0.00 C ATOM 194 C ARG A 13 -8.136 -1.895 6.701 1.00 0.00 C ATOM 195 O ARG A 13 -8.850 -2.589 5.977 1.00 0.00 O ATOM 196 CB ARG A 13 -9.860 -0.200 7.292 1.00 0.00 C ATOM 197 CG ARG A 13 -10.512 0.695 8.329 1.00 0.00 C ATOM 198 CD ARG A 13 -11.632 1.502 7.706 1.00 0.00 C ATOM 199 NE ARG A 13 -12.062 2.615 8.544 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.336 2.938 8.731 1.00 0.00 C ATOM 201 NH1 ARG A 13 -14.289 2.090 8.367 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.655 4.080 9.325 1.00 0.00 N ATOM 0 H ARG A 13 -7.600 0.660 8.085 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.147 -1.772 8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.457 0.422 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.624 -0.837 6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.904 0.089 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.768 1.366 8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.303 1.886 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.482 0.847 7.515 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.348 3.174 9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.041 1.195 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.269 2.333 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.920 4.714 9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.635 4.325 9.467 1.00 0.00 H new ATOM 216 N ALA A 14 -6.824 -1.810 6.537 1.00 0.00 N ATOM 217 CA ALA A 14 -6.152 -2.508 5.451 1.00 0.00 C ATOM 218 C ALA A 14 -5.823 -3.942 5.832 1.00 0.00 C ATOM 219 O ALA A 14 -5.528 -4.243 6.992 1.00 0.00 O ATOM 220 CB ALA A 14 -4.881 -1.775 5.040 1.00 0.00 C ATOM 0 H ALA A 14 -6.206 -1.267 7.140 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.838 -2.528 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.396 -2.315 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.133 -0.768 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.203 -1.716 5.892 1.00 0.00 H new ATOM 226 N VAL A 15 -5.873 -4.822 4.846 1.00 0.00 N ATOM 227 CA VAL A 15 -5.553 -6.226 5.046 1.00 0.00 C ATOM 228 C VAL A 15 -4.307 -6.611 4.256 1.00 0.00 C ATOM 229 O VAL A 15 -3.856 -7.757 4.292 1.00 0.00 O ATOM 230 CB VAL A 15 -6.728 -7.140 4.635 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.900 -6.974 5.592 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.164 -6.844 3.208 1.00 0.00 C ATOM 0 H VAL A 15 -6.135 -4.585 3.889 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.364 -6.366 6.110 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.387 -8.174 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.717 -7.627 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.585 -7.238 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.238 -5.938 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.993 -7.498 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.483 -5.804 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.329 -7.017 2.529 1.00 0.00 H new ATOM 242 N GLY A 16 -3.758 -5.642 3.537 1.00 0.00 N ATOM 243 CA GLY A 16 -2.552 -5.866 2.771 1.00 0.00 C ATOM 244 C GLY A 16 -1.858 -4.564 2.445 1.00 0.00 C ATOM 245 O GLY A 16 -2.488 -3.508 2.471 1.00 0.00 O ATOM 0 H GLY A 16 -4.132 -4.695 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.876 -6.510 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.797 -6.391 1.848 1.00 0.00 H new ATOM 249 N SER A 17 -0.572 -4.626 2.144 1.00 0.00 N ATOM 250 CA SER A 17 0.192 -3.430 1.838 1.00 0.00 C ATOM 251 C SER A 17 1.361 -3.739 0.902 1.00 0.00 C ATOM 252 O SER A 17 2.087 -4.717 1.091 1.00 0.00 O ATOM 253 CB SER A 17 0.703 -2.797 3.135 1.00 0.00 C ATOM 254 OG SER A 17 1.349 -3.758 3.953 1.00 0.00 O ATOM 0 H SER A 17 -0.035 -5.493 2.105 1.00 0.00 H new ATOM 0 HA SER A 17 -0.465 -2.727 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.397 -1.990 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.130 -2.353 3.679 1.00 0.00 H new ATOM 0 HG SER A 17 1.667 -3.328 4.774 1.00 0.00 H new ATOM 260 N LEU A 18 1.518 -2.909 -0.115 1.00 0.00 N ATOM 261 CA LEU A 18 2.642 -3.015 -1.031 1.00 0.00 C ATOM 262 C LEU A 18 3.577 -1.833 -0.853 1.00 0.00 C ATOM 263 O LEU A 18 3.183 -0.685 -1.043 1.00 0.00 O ATOM 264 CB LEU A 18 2.161 -3.084 -2.479 1.00 0.00 C ATOM 265 CG LEU A 18 1.976 -4.493 -3.037 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.352 -4.444 -4.420 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.314 -5.215 -3.095 1.00 0.00 C ATOM 0 H LEU A 18 0.875 -2.147 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 18 3.180 -3.935 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.212 -2.553 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.875 -2.553 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 18 1.306 -5.039 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.229 -5.458 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.378 -3.957 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.000 -3.881 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.169 -6.219 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.998 -4.663 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.735 -5.281 -2.092 1.00 0.00 H new ATOM 279 N THR A 19 4.810 -2.123 -0.485 1.00 0.00 N ATOM 280 CA THR A 19 5.795 -1.087 -0.244 1.00 0.00 C ATOM 281 C THR A 19 6.622 -0.829 -1.501 1.00 0.00 C ATOM 282 O THR A 19 7.369 -1.697 -1.946 1.00 0.00 O ATOM 283 CB THR A 19 6.733 -1.483 0.911 1.00 0.00 C ATOM 284 OG1 THR A 19 5.965 -1.962 2.027 1.00 0.00 O ATOM 285 CG2 THR A 19 7.586 -0.302 1.350 1.00 0.00 C ATOM 0 H THR A 19 5.155 -3.073 -0.346 1.00 0.00 H new ATOM 0 HA THR A 19 5.260 -0.177 0.028 1.00 0.00 H new ATOM 0 HB THR A 19 7.392 -2.275 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.568 -2.198 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.239 -0.609 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.191 0.042 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.940 0.508 1.687 1.00 0.00 H new ATOM 293 N PHE A 20 6.462 0.349 -2.079 1.00 0.00 N ATOM 294 CA PHE A 20 7.242 0.757 -3.241 1.00 0.00 C ATOM 295 C PHE A 20 8.183 1.899 -2.876 1.00 0.00 C ATOM 296 O PHE A 20 7.920 2.679 -1.957 1.00 0.00 O ATOM 297 CB PHE A 20 6.327 1.215 -4.388 1.00 0.00 C ATOM 298 CG PHE A 20 5.621 0.113 -5.123 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.582 -0.587 -4.535 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.991 -0.206 -6.418 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.929 -1.588 -5.225 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.341 -1.205 -7.113 1.00 0.00 C ATOM 303 CZ PHE A 20 4.307 -1.897 -6.515 1.00 0.00 C ATOM 0 H PHE A 20 5.792 1.049 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 20 7.820 -0.107 -3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.579 1.897 -3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.923 1.782 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.279 -0.348 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.798 0.334 -6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.122 -2.130 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.640 -1.445 -8.123 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.795 -2.679 -7.056 1.00 0.00 H new ATOM 313 N ASP A 21 9.286 1.985 -3.595 1.00 0.00 N ATOM 314 CA ASP A 21 10.221 3.090 -3.448 1.00 0.00 C ATOM 315 C ASP A 21 9.804 4.236 -4.368 1.00 0.00 C ATOM 316 O ASP A 21 8.935 4.054 -5.220 1.00 0.00 O ATOM 317 CB ASP A 21 11.638 2.603 -3.778 1.00 0.00 C ATOM 318 CG ASP A 21 12.673 3.706 -3.774 1.00 0.00 C ATOM 319 OD1 ASP A 21 12.869 4.348 -2.726 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.279 3.944 -4.834 1.00 0.00 O ATOM 0 H ASP A 21 9.561 1.296 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 21 10.212 3.455 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.929 1.841 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.630 2.127 -4.758 1.00 0.00 H new ATOM 325 N GLU A 22 10.409 5.410 -4.200 1.00 0.00 N ATOM 326 CA GLU A 22 10.096 6.554 -5.044 1.00 0.00 C ATOM 327 C GLU A 22 10.455 6.269 -6.502 1.00 0.00 C ATOM 328 O GLU A 22 9.872 6.844 -7.418 1.00 0.00 O ATOM 329 CB GLU A 22 10.824 7.805 -4.554 1.00 0.00 C ATOM 330 CG GLU A 22 12.332 7.654 -4.477 1.00 0.00 C ATOM 331 CD GLU A 22 13.043 8.986 -4.376 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.180 9.515 -3.255 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.471 9.512 -5.423 1.00 0.00 O ATOM 0 H GLU A 22 11.117 5.591 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 22 9.022 6.732 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.586 8.635 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.445 8.070 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.589 7.042 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.686 7.123 -5.360 1.00 0.00 H new ATOM 340 N ASN A 23 11.405 5.359 -6.708 1.00 0.00 N ATOM 341 CA ASN A 23 11.794 4.943 -8.048 1.00 0.00 C ATOM 342 C ASN A 23 10.857 3.855 -8.561 1.00 0.00 C ATOM 343 O ASN A 23 11.124 3.219 -9.582 1.00 0.00 O ATOM 344 CB ASN A 23 13.235 4.434 -8.046 1.00 0.00 C ATOM 345 CG ASN A 23 14.239 5.512 -7.687 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.738 6.229 -8.554 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.556 5.621 -6.409 1.00 0.00 N ATOM 0 H ASN A 23 11.920 4.896 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 23 11.725 5.805 -8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.324 3.611 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.475 4.034 -9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.237 6.319 -6.110 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.120 5.007 -5.721 1.00 0.00 H new ATOM 354 N TYR A 24 9.761 3.650 -7.827 1.00 0.00 N ATOM 355 CA TYR A 24 8.698 2.719 -8.206 1.00 0.00 C ATOM 356 C TYR A 24 9.181 1.272 -8.195 1.00 0.00 C ATOM 357 O TYR A 24 8.654 0.420 -8.915 1.00 0.00 O ATOM 358 CB TYR A 24 8.122 3.103 -9.572 1.00 0.00 C ATOM 359 CG TYR A 24 7.679 4.547 -9.628 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.520 4.966 -8.984 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.438 5.495 -10.297 1.00 0.00 C ATOM 362 CE1 TYR A 24 6.132 6.292 -9.015 1.00 0.00 C ATOM 363 CE2 TYR A 24 8.060 6.822 -10.328 1.00 0.00 C ATOM 364 CZ TYR A 24 6.907 7.216 -9.685 1.00 0.00 C ATOM 365 OH TYR A 24 6.528 8.541 -9.711 1.00 0.00 O ATOM 0 H TYR A 24 9.586 4.131 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 24 7.905 2.792 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.873 2.927 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.274 2.457 -9.800 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.915 4.246 -8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.342 5.189 -10.803 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.226 6.604 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.664 7.547 -10.853 1.00 0.00 H new ATOM 0 HH TYR A 24 7.183 9.059 -10.224 1.00 0.00 H new ATOM 375 N ASN A 25 10.166 0.991 -7.350 1.00 0.00 N ATOM 376 CA ASN A 25 10.641 -0.375 -7.156 1.00 0.00 C ATOM 377 C ASN A 25 9.924 -1.010 -5.978 1.00 0.00 C ATOM 378 O ASN A 25 9.844 -0.412 -4.904 1.00 0.00 O ATOM 379 CB ASN A 25 12.153 -0.419 -6.899 1.00 0.00 C ATOM 380 CG ASN A 25 12.983 -0.016 -8.099 1.00 0.00 C ATOM 381 OD1 ASN A 25 13.272 -0.834 -8.972 1.00 0.00 O ATOM 382 ND2 ASN A 25 13.413 1.233 -8.129 1.00 0.00 N ATOM 0 H ASN A 25 10.652 1.690 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 25 10.429 -0.928 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.391 0.241 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.433 -1.428 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.007 1.550 -8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.151 1.881 -7.386 1.00 0.00 H new ATOM 389 N LEU A 26 9.379 -2.201 -6.187 1.00 0.00 N ATOM 390 CA LEU A 26 8.773 -2.961 -5.111 1.00 0.00 C ATOM 391 C LEU A 26 9.814 -3.301 -4.050 1.00 0.00 C ATOM 392 O LEU A 26 10.825 -3.950 -4.334 1.00 0.00 O ATOM 393 CB LEU A 26 8.132 -4.240 -5.657 1.00 0.00 C ATOM 394 CG LEU A 26 7.514 -5.159 -4.601 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.536 -4.389 -3.732 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.823 -6.341 -5.264 1.00 0.00 C ATOM 0 H LEU A 26 9.346 -2.660 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 26 7.995 -2.352 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.358 -3.963 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.888 -4.801 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 26 8.313 -5.539 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.106 -5.058 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.058 -3.575 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.740 -3.980 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.389 -6.985 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.034 -5.978 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.550 -6.908 -5.845 1.00 0.00 H new ATOM 408 N LEU A 27 9.566 -2.840 -2.837 1.00 0.00 N ATOM 409 CA LEU A 27 10.469 -3.069 -1.724 1.00 0.00 C ATOM 410 C LEU A 27 9.980 -4.228 -0.868 1.00 0.00 C ATOM 411 O LEU A 27 10.750 -5.111 -0.494 1.00 0.00 O ATOM 412 CB LEU A 27 10.571 -1.814 -0.856 1.00 0.00 C ATOM 413 CG LEU A 27 11.022 -0.547 -1.579 1.00 0.00 C ATOM 414 CD1 LEU A 27 10.969 0.644 -0.635 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.423 -0.724 -2.144 1.00 0.00 C ATOM 0 H LEU A 27 8.736 -2.298 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 27 11.451 -3.312 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.597 -1.626 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.267 -2.013 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 27 10.342 -0.360 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.293 1.541 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.948 0.781 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.628 0.465 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.727 0.189 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.119 -0.934 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.428 -1.554 -2.850 1.00 0.00 H new ATOM 427 N ASP A 28 8.691 -4.214 -0.563 1.00 0.00 N ATOM 428 CA ASP A 28 8.111 -5.188 0.351 1.00 0.00 C ATOM 429 C ASP A 28 6.663 -5.491 -0.005 1.00 0.00 C ATOM 430 O ASP A 28 5.946 -4.628 -0.512 1.00 0.00 O ATOM 431 CB ASP A 28 8.196 -4.655 1.780 1.00 0.00 C ATOM 432 CG ASP A 28 7.319 -5.422 2.746 1.00 0.00 C ATOM 433 OD1 ASP A 28 7.683 -6.557 3.112 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.258 -4.889 3.141 1.00 0.00 O ATOM 0 H ASP A 28 8.025 -3.537 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 28 8.676 -6.117 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.231 -4.703 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.906 -3.604 1.789 1.00 0.00 H new ATOM 439 N THR A 29 6.248 -6.721 0.251 1.00 0.00 N ATOM 440 CA THR A 29 4.879 -7.137 0.025 1.00 0.00 C ATOM 441 C THR A 29 4.310 -7.781 1.289 1.00 0.00 C ATOM 442 O THR A 29 4.810 -8.807 1.746 1.00 0.00 O ATOM 443 CB THR A 29 4.809 -8.139 -1.136 1.00 0.00 C ATOM 444 OG1 THR A 29 5.495 -7.602 -2.276 1.00 0.00 O ATOM 445 CG2 THR A 29 3.368 -8.447 -1.500 1.00 0.00 C ATOM 0 H THR A 29 6.851 -7.456 0.620 1.00 0.00 H new ATOM 0 HA THR A 29 4.289 -6.256 -0.229 1.00 0.00 H new ATOM 0 HB THR A 29 5.288 -9.067 -0.823 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.451 -8.243 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.345 -9.159 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.858 -8.875 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.864 -7.528 -1.800 1.00 0.00 H new ATOM 453 N SER A 30 3.275 -7.178 1.853 1.00 0.00 N ATOM 454 CA SER A 30 2.690 -7.681 3.086 1.00 0.00 C ATOM 455 C SER A 30 1.174 -7.831 2.970 1.00 0.00 C ATOM 456 O SER A 30 0.527 -7.162 2.159 1.00 0.00 O ATOM 457 CB SER A 30 3.042 -6.747 4.246 1.00 0.00 C ATOM 458 OG SER A 30 4.449 -6.687 4.444 1.00 0.00 O ATOM 0 H SER A 30 2.824 -6.343 1.478 1.00 0.00 H new ATOM 0 HA SER A 30 3.105 -8.671 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.657 -5.748 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.557 -7.096 5.158 1.00 0.00 H new ATOM 0 HG SER A 30 4.830 -5.986 3.875 1.00 0.00 H new ATOM 464 N GLY A 31 0.622 -8.731 3.772 1.00 0.00 N ATOM 465 CA GLY A 31 -0.813 -8.921 3.819 1.00 0.00 C ATOM 466 C GLY A 31 -1.356 -9.622 2.592 1.00 0.00 C ATOM 467 O GLY A 31 -0.662 -10.416 1.957 1.00 0.00 O ATOM 0 H GLY A 31 1.150 -9.339 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.069 -9.501 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.299 -7.951 3.922 1.00 0.00 H new ATOM 471 N VAL A 32 -2.599 -9.310 2.248 1.00 0.00 N ATOM 472 CA VAL A 32 -3.260 -9.908 1.091 1.00 0.00 C ATOM 473 C VAL A 32 -2.552 -9.525 -0.207 1.00 0.00 C ATOM 474 O VAL A 32 -2.685 -10.201 -1.226 1.00 0.00 O ATOM 475 CB VAL A 32 -4.742 -9.484 1.021 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.442 -10.140 -0.156 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.455 -9.827 2.316 1.00 0.00 C ATOM 0 H VAL A 32 -3.175 -8.640 2.758 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.209 -10.990 1.210 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.776 -8.404 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.485 -9.824 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.950 -9.844 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.394 -11.224 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.499 -9.521 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.402 -10.902 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.976 -9.304 3.144 1.00 0.00 H new ATOM 487 N ALA A 33 -1.763 -8.460 -0.153 1.00 0.00 N ATOM 488 CA ALA A 33 -1.021 -7.999 -1.317 1.00 0.00 C ATOM 489 C ALA A 33 -0.037 -9.065 -1.797 1.00 0.00 C ATOM 490 O ALA A 33 0.460 -9.007 -2.921 1.00 0.00 O ATOM 491 CB ALA A 33 -0.284 -6.710 -0.994 1.00 0.00 C ATOM 0 H ALA A 33 -1.621 -7.899 0.687 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.733 -7.808 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.267 -6.376 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.002 -5.943 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.413 -6.885 -0.174 1.00 0.00 H new ATOM 497 N LYS A 34 0.235 -10.044 -0.938 1.00 0.00 N ATOM 498 CA LYS A 34 1.141 -11.121 -1.276 1.00 0.00 C ATOM 499 C LYS A 34 0.493 -12.085 -2.266 1.00 0.00 C ATOM 500 O LYS A 34 1.134 -12.518 -3.221 1.00 0.00 O ATOM 501 CB LYS A 34 1.583 -11.863 -0.014 1.00 0.00 C ATOM 502 CG LYS A 34 2.372 -10.996 0.957 1.00 0.00 C ATOM 503 CD LYS A 34 2.933 -11.806 2.119 1.00 0.00 C ATOM 504 CE LYS A 34 1.837 -12.355 3.018 1.00 0.00 C ATOM 505 NZ LYS A 34 2.391 -13.165 4.135 1.00 0.00 N ATOM 0 H LYS A 34 -0.164 -10.107 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 34 2.022 -10.690 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.702 -12.255 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.193 -12.720 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.190 -10.509 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.728 -10.206 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.529 -12.632 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.603 -11.179 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.252 -11.529 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.156 -12.968 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.612 -13.521 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.928 -13.968 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.021 -12.573 4.714 1.00 0.00 H new ATOM 519 N VAL A 35 -0.782 -12.398 -2.056 1.00 0.00 N ATOM 520 CA VAL A 35 -1.489 -13.308 -2.951 1.00 0.00 C ATOM 521 C VAL A 35 -2.088 -12.554 -4.139 1.00 0.00 C ATOM 522 O VAL A 35 -2.359 -13.143 -5.184 1.00 0.00 O ATOM 523 CB VAL A 35 -2.597 -14.104 -2.223 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.988 -15.055 -1.207 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.590 -13.169 -1.548 1.00 0.00 C ATOM 0 H VAL A 35 -1.342 -12.039 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.750 -14.021 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.137 -14.688 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.782 -15.607 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.325 -15.755 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.419 -14.486 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.358 -13.756 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.069 -12.550 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.056 -12.530 -2.298 1.00 0.00 H new ATOM 535 N ILE A 36 -2.285 -11.251 -3.972 1.00 0.00 N ATOM 536 CA ILE A 36 -2.744 -10.401 -5.060 1.00 0.00 C ATOM 537 C ILE A 36 -1.662 -10.288 -6.136 1.00 0.00 C ATOM 538 O ILE A 36 -0.468 -10.230 -5.826 1.00 0.00 O ATOM 539 CB ILE A 36 -3.151 -9.002 -4.533 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.477 -9.103 -3.770 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.261 -7.987 -5.665 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.830 -7.851 -3.000 1.00 0.00 C ATOM 0 H ILE A 36 -2.133 -10.761 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.627 -10.857 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.371 -8.652 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.277 -9.322 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.425 -9.943 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.548 -7.018 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.299 -7.898 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.015 -8.318 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.780 -7.996 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.049 -7.642 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.915 -7.011 -3.690 1.00 0.00 H new ATOM 554 N GLU A 37 -2.089 -10.294 -7.393 1.00 0.00 N ATOM 555 CA GLU A 37 -1.176 -10.255 -8.528 1.00 0.00 C ATOM 556 C GLU A 37 -0.440 -8.921 -8.606 1.00 0.00 C ATOM 557 O GLU A 37 -1.030 -7.855 -8.419 1.00 0.00 O ATOM 558 CB GLU A 37 -1.941 -10.507 -9.833 1.00 0.00 C ATOM 559 CG GLU A 37 -3.087 -9.531 -10.069 1.00 0.00 C ATOM 560 CD GLU A 37 -3.901 -9.864 -11.301 1.00 0.00 C ATOM 561 OE1 GLU A 37 -4.623 -10.886 -11.281 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.829 -9.112 -12.292 1.00 0.00 O ATOM 0 H GLU A 37 -3.075 -10.326 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.435 -11.042 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.245 -10.446 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.337 -11.523 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.741 -9.529 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.684 -8.523 -10.167 1.00 0.00 H new ATOM 569 N LYS A 38 0.857 -8.986 -8.866 1.00 0.00 N ATOM 570 CA LYS A 38 1.648 -7.784 -9.063 1.00 0.00 C ATOM 571 C LYS A 38 1.509 -7.297 -10.496 1.00 0.00 C ATOM 572 O LYS A 38 2.268 -7.696 -11.381 1.00 0.00 O ATOM 573 CB LYS A 38 3.127 -8.007 -8.729 1.00 0.00 C ATOM 574 CG LYS A 38 3.452 -7.956 -7.242 1.00 0.00 C ATOM 575 CD LYS A 38 2.692 -9.012 -6.467 1.00 0.00 C ATOM 576 CE LYS A 38 3.242 -9.183 -5.065 1.00 0.00 C ATOM 577 NZ LYS A 38 2.567 -10.291 -4.344 1.00 0.00 N ATOM 0 H LYS A 38 1.382 -9.857 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 38 1.266 -7.026 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.433 -8.976 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.721 -7.252 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.523 -8.099 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.207 -6.969 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.639 -8.737 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.746 -9.963 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.313 -9.380 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.115 -8.255 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.256 -10.782 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.801 -9.906 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.171 -10.963 -5.032 1.00 0.00 H new ATOM 591 N SER A 39 0.498 -6.483 -10.721 1.00 0.00 N ATOM 592 CA SER A 39 0.283 -5.854 -12.011 1.00 0.00 C ATOM 593 C SER A 39 1.025 -4.517 -12.051 1.00 0.00 C ATOM 594 O SER A 39 1.655 -4.152 -11.057 1.00 0.00 O ATOM 595 CB SER A 39 -1.222 -5.676 -12.229 1.00 0.00 C ATOM 596 OG SER A 39 -1.880 -6.932 -12.164 1.00 0.00 O ATOM 0 H SER A 39 -0.198 -6.238 -10.017 1.00 0.00 H new ATOM 0 HA SER A 39 0.674 -6.476 -12.816 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.629 -5.005 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.404 -5.212 -13.198 1.00 0.00 H new ATOM 0 HG SER A 39 -2.842 -6.805 -12.303 1.00 0.00 H new ATOM 602 N PRO A 40 1.008 -3.787 -13.191 1.00 0.00 N ATOM 603 CA PRO A 40 1.636 -2.457 -13.300 1.00 0.00 C ATOM 604 C PRO A 40 0.992 -1.409 -12.383 1.00 0.00 C ATOM 605 O PRO A 40 0.471 -0.392 -12.843 1.00 0.00 O ATOM 606 CB PRO A 40 1.428 -2.074 -14.773 1.00 0.00 C ATOM 607 CG PRO A 40 1.147 -3.356 -15.471 1.00 0.00 C ATOM 608 CD PRO A 40 0.424 -4.211 -14.477 1.00 0.00 C ATOM 0 HA PRO A 40 2.682 -2.490 -12.994 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.600 -1.374 -14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.313 -1.588 -15.183 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.539 -3.192 -16.361 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.070 -3.833 -15.799 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.653 -4.043 -14.507 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.586 -5.273 -14.664 1.00 0.00 H new ATOM 616 N ILE A 41 1.051 -1.661 -11.085 1.00 0.00 N ATOM 617 CA ILE A 41 0.491 -0.764 -10.092 1.00 0.00 C ATOM 618 C ILE A 41 1.368 0.470 -9.945 1.00 0.00 C ATOM 619 O ILE A 41 0.871 1.564 -9.697 1.00 0.00 O ATOM 620 CB ILE A 41 0.343 -1.464 -8.723 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.549 -2.701 -8.856 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.226 -0.504 -7.684 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.700 -3.485 -7.570 1.00 0.00 C ATOM 0 H ILE A 41 1.489 -2.494 -10.692 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.500 -0.466 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 41 1.331 -1.780 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.536 -2.391 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.135 -3.355 -9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.322 -1.018 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.443 0.349 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.207 -0.156 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.345 -4.346 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.279 -3.827 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.143 -2.847 -6.805 1.00 0.00 H new ATOM 635 N ALA A 42 2.672 0.289 -10.130 1.00 0.00 N ATOM 636 CA ALA A 42 3.625 1.394 -10.049 1.00 0.00 C ATOM 637 C ALA A 42 3.266 2.496 -11.040 1.00 0.00 C ATOM 638 O ALA A 42 3.456 3.683 -10.766 1.00 0.00 O ATOM 639 CB ALA A 42 5.037 0.895 -10.303 1.00 0.00 C ATOM 0 H ALA A 42 3.095 -0.615 -10.338 1.00 0.00 H new ATOM 0 HA ALA A 42 3.577 1.811 -9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.735 1.730 -10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.298 0.146 -9.556 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.093 0.451 -11.297 1.00 0.00 H new ATOM 645 N GLU A 43 2.733 2.088 -12.186 1.00 0.00 N ATOM 646 CA GLU A 43 2.273 3.022 -13.205 1.00 0.00 C ATOM 647 C GLU A 43 1.121 3.863 -12.657 1.00 0.00 C ATOM 648 O GLU A 43 1.032 5.067 -12.896 1.00 0.00 O ATOM 649 CB GLU A 43 1.818 2.249 -14.445 1.00 0.00 C ATOM 650 CG GLU A 43 1.508 3.128 -15.641 1.00 0.00 C ATOM 651 CD GLU A 43 2.749 3.768 -16.227 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.182 4.816 -15.714 1.00 0.00 O ATOM 653 OE2 GLU A 43 3.283 3.231 -17.217 1.00 0.00 O ATOM 0 H GLU A 43 2.608 1.106 -12.433 1.00 0.00 H new ATOM 0 HA GLU A 43 3.092 3.686 -13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.596 1.537 -14.722 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.930 1.669 -14.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.014 2.532 -16.408 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.807 3.908 -15.343 1.00 0.00 H new ATOM 660 N ILE A 44 0.251 3.225 -11.897 1.00 0.00 N ATOM 661 CA ILE A 44 -0.884 3.917 -11.314 1.00 0.00 C ATOM 662 C ILE A 44 -0.437 4.707 -10.085 1.00 0.00 C ATOM 663 O ILE A 44 -1.020 5.738 -9.753 1.00 0.00 O ATOM 664 CB ILE A 44 -2.018 2.940 -10.926 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.261 1.923 -12.049 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.300 3.712 -10.633 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.698 2.550 -13.357 1.00 0.00 C ATOM 0 H ILE A 44 0.307 2.232 -11.669 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.277 4.599 -12.068 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.716 2.400 -10.028 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.346 1.355 -12.217 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.022 1.213 -11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.091 3.013 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.128 4.404 -9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.599 4.271 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.850 1.769 -14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.630 3.094 -13.206 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.928 3.239 -13.705 1.00 0.00 H new ATOM 679 N ILE A 45 0.621 4.231 -9.427 1.00 0.00 N ATOM 680 CA ILE A 45 1.164 4.902 -8.253 1.00 0.00 C ATOM 681 C ILE A 45 1.656 6.297 -8.611 1.00 0.00 C ATOM 682 O ILE A 45 1.351 7.268 -7.917 1.00 0.00 O ATOM 683 CB ILE A 45 2.318 4.100 -7.600 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.795 2.786 -7.016 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.997 4.927 -6.518 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.876 1.939 -6.376 1.00 0.00 C ATOM 0 H ILE A 45 1.118 3.380 -9.691 1.00 0.00 H new ATOM 0 HA ILE A 45 0.352 4.974 -7.529 1.00 0.00 H new ATOM 0 HB ILE A 45 3.053 3.868 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.029 3.007 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.314 2.211 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.805 4.348 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.404 5.838 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.269 5.189 -5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.435 1.023 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.631 1.688 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.341 2.496 -5.563 1.00 0.00 H new ATOM 698 N ARG A 46 2.401 6.389 -9.707 1.00 0.00 N ATOM 699 CA ARG A 46 2.914 7.668 -10.174 1.00 0.00 C ATOM 700 C ARG A 46 1.776 8.578 -10.620 1.00 0.00 C ATOM 701 O ARG A 46 1.751 9.768 -10.287 1.00 0.00 O ATOM 702 CB ARG A 46 3.924 7.456 -11.306 1.00 0.00 C ATOM 703 CG ARG A 46 3.420 6.596 -12.447 1.00 0.00 C ATOM 704 CD ARG A 46 4.550 6.121 -13.345 1.00 0.00 C ATOM 705 NE ARG A 46 5.336 7.221 -13.900 1.00 0.00 N ATOM 706 CZ ARG A 46 5.790 7.247 -15.152 1.00 0.00 C ATOM 707 NH1 ARG A 46 5.407 6.321 -16.025 1.00 0.00 N ATOM 708 NH2 ARG A 46 6.604 8.221 -15.545 1.00 0.00 N ATOM 0 H ARG A 46 2.662 5.592 -10.288 1.00 0.00 H new ATOM 0 HA ARG A 46 3.427 8.158 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.215 8.429 -11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.823 6.998 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.890 5.733 -12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.701 7.163 -13.038 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.207 5.463 -12.777 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.135 5.530 -14.161 1.00 0.00 H new ATOM 0 HE ARG A 46 5.549 8.014 -13.294 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.762 5.585 -15.738 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.758 6.346 -16.982 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.882 8.950 -14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.951 8.240 -16.504 1.00 0.00 H new ATOM 722 N LYS A 47 0.816 8.009 -11.343 1.00 0.00 N ATOM 723 CA LYS A 47 -0.354 8.763 -11.778 1.00 0.00 C ATOM 724 C LYS A 47 -1.108 9.311 -10.572 1.00 0.00 C ATOM 725 O LYS A 47 -1.427 10.499 -10.515 1.00 0.00 O ATOM 726 CB LYS A 47 -1.274 7.887 -12.632 1.00 0.00 C ATOM 727 CG LYS A 47 -0.643 7.458 -13.943 1.00 0.00 C ATOM 728 CD LYS A 47 -1.583 6.594 -14.766 1.00 0.00 C ATOM 729 CE LYS A 47 -0.965 6.250 -16.108 1.00 0.00 C ATOM 730 NZ LYS A 47 -1.894 5.484 -16.981 1.00 0.00 N ATOM 0 H LYS A 47 0.825 7.033 -11.639 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.017 9.601 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.552 7.000 -12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.194 8.433 -12.841 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.364 8.341 -14.518 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.275 6.906 -13.741 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.813 5.678 -14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.526 7.119 -14.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.669 7.169 -16.615 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.058 5.668 -15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.426 5.273 -17.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.157 4.594 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.750 6.048 -17.157 1.00 0.00 H new ATOM 744 N SER A 48 -1.342 8.447 -9.590 1.00 0.00 N ATOM 745 CA SER A 48 -2.047 8.830 -8.378 1.00 0.00 C ATOM 746 C SER A 48 -1.223 9.824 -7.566 1.00 0.00 C ATOM 747 O SER A 48 -1.767 10.618 -6.809 1.00 0.00 O ATOM 748 CB SER A 48 -2.343 7.598 -7.528 1.00 0.00 C ATOM 749 OG SER A 48 -3.038 6.617 -8.271 1.00 0.00 O ATOM 0 H SER A 48 -1.050 7.470 -9.613 1.00 0.00 H new ATOM 0 HA SER A 48 -2.985 9.303 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.409 7.179 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.935 7.886 -6.659 1.00 0.00 H new ATOM 0 HG SER A 48 -2.397 5.985 -8.658 1.00 0.00 H new ATOM 755 N ASN A 49 0.095 9.767 -7.721 1.00 0.00 N ATOM 756 CA ASN A 49 0.988 10.684 -7.021 1.00 0.00 C ATOM 757 C ASN A 49 0.717 12.117 -7.452 1.00 0.00 C ATOM 758 O ASN A 49 0.780 13.042 -6.646 1.00 0.00 O ATOM 759 CB ASN A 49 2.453 10.319 -7.285 1.00 0.00 C ATOM 760 CG ASN A 49 3.426 11.330 -6.706 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.764 11.272 -5.528 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.902 12.245 -7.536 1.00 0.00 N ATOM 0 H ASN A 49 0.569 9.096 -8.325 1.00 0.00 H new ATOM 0 HA ASN A 49 0.799 10.598 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.660 9.337 -6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.615 10.241 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.575 12.935 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.596 12.260 -8.509 1.00 0.00 H new ATOM 769 N ALA A 50 0.405 12.286 -8.728 1.00 0.00 N ATOM 770 CA ALA A 50 0.066 13.596 -9.263 1.00 0.00 C ATOM 771 C ALA A 50 -1.389 13.954 -8.959 1.00 0.00 C ATOM 772 O ALA A 50 -1.749 15.129 -8.897 1.00 0.00 O ATOM 773 CB ALA A 50 0.322 13.634 -10.763 1.00 0.00 C ATOM 0 H ALA A 50 0.380 11.531 -9.413 1.00 0.00 H new ATOM 0 HA ALA A 50 0.702 14.337 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.064 14.619 -11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.375 13.431 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.290 12.879 -11.256 1.00 0.00 H new ATOM 779 N GLU A 51 -2.216 12.932 -8.765 1.00 0.00 N ATOM 780 CA GLU A 51 -3.645 13.126 -8.508 1.00 0.00 C ATOM 781 C GLU A 51 -3.915 13.561 -7.069 1.00 0.00 C ATOM 782 O GLU A 51 -4.849 14.322 -6.806 1.00 0.00 O ATOM 783 CB GLU A 51 -4.413 11.831 -8.775 1.00 0.00 C ATOM 784 CG GLU A 51 -4.329 11.337 -10.210 1.00 0.00 C ATOM 785 CD GLU A 51 -4.932 12.305 -11.205 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.166 12.270 -11.400 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.175 13.094 -11.806 1.00 0.00 O ATOM 0 H GLU A 51 -1.923 11.955 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.982 13.915 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.032 11.054 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.461 11.984 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.284 11.163 -10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.841 10.378 -10.289 1.00 0.00 H new ATOM 794 N LEU A 52 -3.115 13.064 -6.137 1.00 0.00 N ATOM 795 CA LEU A 52 -3.378 13.288 -4.721 1.00 0.00 C ATOM 796 C LEU A 52 -2.103 13.514 -3.916 1.00 0.00 C ATOM 797 O LEU A 52 -1.007 13.601 -4.468 1.00 0.00 O ATOM 798 CB LEU A 52 -4.157 12.096 -4.147 1.00 0.00 C ATOM 799 CG LEU A 52 -3.553 10.710 -4.403 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.280 10.484 -3.603 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.566 9.644 -4.072 1.00 0.00 C ATOM 0 H LEU A 52 -2.284 12.506 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.971 14.199 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.253 12.235 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.165 12.113 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.288 10.654 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.888 9.490 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.538 11.233 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.500 10.567 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.133 8.661 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.850 9.725 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.449 9.774 -4.698 1.00 0.00 H new ATOM 813 N GLY A 53 -2.273 13.603 -2.602 1.00 0.00 N ATOM 814 CA GLY A 53 -1.145 13.670 -1.698 1.00 0.00 C ATOM 815 C GLY A 53 -1.170 12.537 -0.685 1.00 0.00 C ATOM 816 O GLY A 53 -0.641 11.457 -0.936 1.00 0.00 O ATOM 0 H GLY A 53 -3.184 13.630 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.218 13.627 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.154 14.626 -1.175 1.00 0.00 H new ATOM 820 N ARG A 54 -1.825 12.770 0.447 1.00 0.00 N ATOM 821 CA ARG A 54 -1.873 11.783 1.526 1.00 0.00 C ATOM 822 C ARG A 54 -3.112 10.887 1.404 1.00 0.00 C ATOM 823 O ARG A 54 -3.365 10.033 2.255 1.00 0.00 O ATOM 824 CB ARG A 54 -1.883 12.492 2.881 1.00 0.00 C ATOM 825 CG ARG A 54 -1.658 11.564 4.065 1.00 0.00 C ATOM 826 CD ARG A 54 -2.464 12.012 5.267 1.00 0.00 C ATOM 827 NE ARG A 54 -2.146 13.380 5.662 1.00 0.00 N ATOM 828 CZ ARG A 54 -3.017 14.216 6.223 1.00 0.00 C ATOM 829 NH1 ARG A 54 -4.235 13.794 6.545 1.00 0.00 N ATOM 830 NH2 ARG A 54 -2.664 15.467 6.484 1.00 0.00 N ATOM 0 H ARG A 54 -2.331 13.633 0.644 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.986 11.154 1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.111 13.261 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.839 13.000 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.939 10.547 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.598 11.544 4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.527 11.939 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.272 11.340 6.103 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.197 13.717 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.505 12.827 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.900 14.437 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.724 15.790 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.332 16.106 6.914 1.00 0.00 H new ATOM 844 N LEU A 55 -3.890 11.095 0.355 1.00 0.00 N ATOM 845 CA LEU A 55 -5.089 10.294 0.133 1.00 0.00 C ATOM 846 C LEU A 55 -4.729 8.982 -0.552 1.00 0.00 C ATOM 847 O LEU A 55 -3.638 8.842 -1.109 1.00 0.00 O ATOM 848 CB LEU A 55 -6.128 11.047 -0.713 1.00 0.00 C ATOM 849 CG LEU A 55 -6.755 12.297 -0.072 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.246 11.995 1.334 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.777 13.464 -0.064 1.00 0.00 C ATOM 0 H LEU A 55 -3.717 11.807 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.529 10.090 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.656 11.344 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.930 10.354 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.613 12.586 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.685 12.894 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.997 11.206 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.408 11.668 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.250 14.332 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.889 13.191 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.491 13.706 -1.088 1.00 0.00 H new ATOM 863 N GLY A 56 -5.646 8.026 -0.506 1.00 0.00 N ATOM 864 CA GLY A 56 -5.405 6.737 -1.121 1.00 0.00 C ATOM 865 C GLY A 56 -6.323 6.468 -2.291 1.00 0.00 C ATOM 866 O GLY A 56 -7.438 5.969 -2.120 1.00 0.00 O ATOM 0 H GLY A 56 -6.555 8.121 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.370 6.688 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.535 5.953 -0.375 1.00 0.00 H new ATOM 870 N TYR A 57 -5.848 6.798 -3.480 1.00 0.00 N ATOM 871 CA TYR A 57 -6.592 6.558 -4.708 1.00 0.00 C ATOM 872 C TYR A 57 -6.635 5.068 -5.003 1.00 0.00 C ATOM 873 O TYR A 57 -5.631 4.371 -4.840 1.00 0.00 O ATOM 874 CB TYR A 57 -5.929 7.310 -5.870 1.00 0.00 C ATOM 875 CG TYR A 57 -6.575 7.095 -7.215 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.714 7.796 -7.580 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.039 6.191 -8.118 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.303 7.596 -8.814 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.617 5.988 -9.351 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.750 6.689 -9.696 1.00 0.00 C ATOM 881 OH TYR A 57 -8.333 6.475 -10.925 1.00 0.00 O ATOM 0 H TYR A 57 -4.939 7.238 -3.623 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.613 6.921 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.937 8.377 -5.645 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.884 7.005 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.146 8.507 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.152 5.636 -7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.191 8.146 -9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.183 5.282 -10.044 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.815 5.806 -11.421 1.00 0.00 H new ATOM 891 N SER A 58 -7.797 4.575 -5.409 1.00 0.00 N ATOM 892 CA SER A 58 -7.937 3.175 -5.755 1.00 0.00 C ATOM 893 C SER A 58 -7.156 2.874 -7.029 1.00 0.00 C ATOM 894 O SER A 58 -7.554 3.270 -8.127 1.00 0.00 O ATOM 895 CB SER A 58 -9.412 2.825 -5.939 1.00 0.00 C ATOM 896 OG SER A 58 -10.166 3.198 -4.796 1.00 0.00 O ATOM 0 H SER A 58 -8.651 5.125 -5.505 1.00 0.00 H new ATOM 0 HA SER A 58 -7.534 2.566 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.804 3.333 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.517 1.755 -6.116 1.00 0.00 H new ATOM 0 HG SER A 58 -11.108 2.966 -4.936 1.00 0.00 H new ATOM 902 N VAL A 59 -6.049 2.168 -6.873 1.00 0.00 N ATOM 903 CA VAL A 59 -5.177 1.855 -7.993 1.00 0.00 C ATOM 904 C VAL A 59 -5.476 0.469 -8.545 1.00 0.00 C ATOM 905 O VAL A 59 -5.360 0.228 -9.747 1.00 0.00 O ATOM 906 CB VAL A 59 -3.689 1.946 -7.590 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.343 3.365 -7.177 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.362 0.977 -6.464 1.00 0.00 C ATOM 0 H VAL A 59 -5.731 1.799 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.371 2.595 -8.770 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.088 1.670 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.291 3.416 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.528 4.042 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.961 3.658 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.307 1.065 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.972 1.213 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.572 -0.042 -6.789 1.00 0.00 H new ATOM 918 N TYR A 60 -5.874 -0.432 -7.661 1.00 0.00 N ATOM 919 CA TYR A 60 -6.204 -1.790 -8.050 1.00 0.00 C ATOM 920 C TYR A 60 -7.508 -2.210 -7.394 1.00 0.00 C ATOM 921 O TYR A 60 -7.558 -2.409 -6.184 1.00 0.00 O ATOM 922 CB TYR A 60 -5.074 -2.746 -7.647 1.00 0.00 C ATOM 923 CG TYR A 60 -5.337 -4.198 -7.994 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.980 -4.711 -9.235 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.943 -5.053 -7.082 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.223 -6.033 -9.557 1.00 0.00 C ATOM 927 CE2 TYR A 60 -6.189 -6.375 -7.395 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.826 -6.862 -8.633 1.00 0.00 C ATOM 929 OH TYR A 60 -6.071 -8.179 -8.950 1.00 0.00 O ATOM 0 H TYR A 60 -5.976 -0.244 -6.664 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.323 -1.831 -9.133 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.153 -2.428 -8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.910 -2.665 -6.573 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.505 -4.066 -9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.227 -4.677 -6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.942 -6.415 -10.527 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.663 -7.024 -6.674 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.499 -8.624 -8.189 1.00 0.00 H new ATOM 939 N GLU A 61 -8.566 -2.323 -8.176 1.00 0.00 N ATOM 940 CA GLU A 61 -9.830 -2.782 -7.639 1.00 0.00 C ATOM 941 C GLU A 61 -10.108 -4.205 -8.081 1.00 0.00 C ATOM 942 O GLU A 61 -10.185 -4.498 -9.276 1.00 0.00 O ATOM 943 CB GLU A 61 -10.992 -1.884 -8.061 1.00 0.00 C ATOM 944 CG GLU A 61 -12.321 -2.332 -7.471 1.00 0.00 C ATOM 945 CD GLU A 61 -13.511 -1.700 -8.154 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.958 -2.249 -9.182 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.019 -0.677 -7.657 1.00 0.00 O ATOM 0 H GLU A 61 -8.575 -2.106 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.748 -2.743 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.787 -0.860 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.065 -1.877 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.399 -3.417 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.344 -2.084 -6.410 1.00 0.00 H new ATOM 954 N ASP A 62 -10.252 -5.078 -7.112 1.00 0.00 N ATOM 955 CA ASP A 62 -10.618 -6.452 -7.362 1.00 0.00 C ATOM 956 C ASP A 62 -11.943 -6.720 -6.671 1.00 0.00 C ATOM 957 O ASP A 62 -12.351 -5.953 -5.801 1.00 0.00 O ATOM 958 CB ASP A 62 -9.526 -7.395 -6.845 1.00 0.00 C ATOM 959 CG ASP A 62 -9.857 -8.858 -7.061 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.637 -9.370 -8.177 1.00 0.00 O ATOM 961 OD2 ASP A 62 -10.340 -9.499 -6.114 1.00 0.00 O ATOM 0 H ASP A 62 -10.118 -4.855 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.721 -6.629 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.586 -7.163 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.373 -7.216 -5.781 1.00 0.00 H new ATOM 966 N ALA A 63 -12.623 -7.781 -7.065 1.00 0.00 N ATOM 967 CA ALA A 63 -13.909 -8.120 -6.477 1.00 0.00 C ATOM 968 C ALA A 63 -13.772 -8.472 -4.997 1.00 0.00 C ATOM 969 O ALA A 63 -14.754 -8.468 -4.255 1.00 0.00 O ATOM 970 CB ALA A 63 -14.550 -9.266 -7.240 1.00 0.00 C ATOM 0 H ALA A 63 -12.307 -8.425 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.553 -7.243 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.512 -9.510 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.700 -8.973 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.899 -10.139 -7.200 1.00 0.00 H new ATOM 976 N GLN A 64 -12.556 -8.781 -4.575 1.00 0.00 N ATOM 977 CA GLN A 64 -12.300 -9.121 -3.184 1.00 0.00 C ATOM 978 C GLN A 64 -11.759 -7.912 -2.413 1.00 0.00 C ATOM 979 O GLN A 64 -12.255 -7.580 -1.334 1.00 0.00 O ATOM 980 CB GLN A 64 -11.295 -10.269 -3.108 1.00 0.00 C ATOM 981 CG GLN A 64 -11.615 -11.429 -4.033 1.00 0.00 C ATOM 982 CD GLN A 64 -10.423 -12.339 -4.248 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.252 -13.347 -3.560 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.568 -11.963 -5.183 1.00 0.00 N ATOM 0 H GLN A 64 -11.731 -8.803 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.242 -9.427 -2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.303 -9.887 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.254 -10.636 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.440 -12.007 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.952 -11.042 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.748 -11.121 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.728 -12.515 -5.358 1.00 0.00 H new ATOM 993 N TYR A 65 -10.740 -7.254 -2.969 1.00 0.00 N ATOM 994 CA TYR A 65 -10.036 -6.185 -2.257 1.00 0.00 C ATOM 995 C TYR A 65 -9.765 -4.994 -3.172 1.00 0.00 C ATOM 996 O TYR A 65 -9.820 -5.115 -4.394 1.00 0.00 O ATOM 997 CB TYR A 65 -8.705 -6.704 -1.694 1.00 0.00 C ATOM 998 CG TYR A 65 -8.828 -8.007 -0.939 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.221 -8.033 0.392 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.561 -9.215 -1.567 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.345 -9.229 1.075 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.686 -10.414 -0.895 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.075 -10.416 0.426 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.196 -11.609 1.097 1.00 0.00 O ATOM 0 H TYR A 65 -10.385 -7.441 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.678 -5.858 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.001 -6.836 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.283 -5.949 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.433 -7.105 0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.250 -9.217 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.651 -9.234 2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.480 -11.345 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.970 -12.348 0.494 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.466 -3.849 -2.571 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.139 -2.645 -3.322 1.00 0.00 C ATOM 1016 C ILE A 66 -7.852 -2.023 -2.794 1.00 0.00 C ATOM 1017 O ILE A 66 -7.727 -1.749 -1.599 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.264 -1.591 -3.252 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.575 -2.165 -3.787 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.874 -0.345 -4.037 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.743 -1.205 -3.704 1.00 0.00 C ATOM 0 H ILE A 66 -9.443 -3.730 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.014 -2.948 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.410 -1.315 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.434 -2.461 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.819 -3.069 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.678 0.389 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.963 0.080 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.702 -0.611 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.637 -1.685 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.913 -0.928 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.521 -0.311 -4.286 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.907 -1.809 -3.690 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.650 -1.197 -3.323 1.00 0.00 C ATOM 1035 C GLY A 67 -5.677 0.307 -3.496 1.00 0.00 C ATOM 1036 O GLY A 67 -6.250 0.816 -4.456 1.00 0.00 O ATOM 0 H GLY A 67 -6.989 -2.051 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.419 -1.438 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.851 -1.617 -3.933 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.058 1.013 -2.565 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.034 2.472 -2.578 1.00 0.00 C ATOM 1042 C HIS A 68 -3.595 2.959 -2.458 1.00 0.00 C ATOM 1043 O HIS A 68 -2.892 2.574 -1.523 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.861 3.045 -1.414 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.259 2.504 -1.307 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.363 3.138 -1.837 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.726 1.383 -0.708 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.447 2.427 -1.570 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.085 1.358 -0.884 1.00 0.00 N ATOM 0 H HIS A 68 -4.558 0.596 -1.780 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.468 2.814 -3.517 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.336 2.843 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.913 4.128 -1.523 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.347 4.017 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.136 0.644 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.456 2.678 -1.863 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.150 3.790 -3.393 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.777 4.294 -3.354 1.00 0.00 C ATOM 1060 C ALA A 69 -1.653 5.498 -2.438 1.00 0.00 C ATOM 1061 O ALA A 69 -2.309 6.519 -2.647 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.291 4.672 -4.743 1.00 0.00 C ATOM 0 H ALA A 69 -3.708 4.127 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.156 3.487 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.268 5.043 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.321 3.795 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.935 5.449 -5.155 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.767 5.392 -1.464 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.506 6.482 -0.544 1.00 0.00 C ATOM 1070 C PHE A 70 0.910 6.989 -0.709 1.00 0.00 C ATOM 1071 O PHE A 70 1.841 6.209 -0.926 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.724 6.036 0.899 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.164 5.839 1.251 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.794 4.632 1.006 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.887 6.865 1.829 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.120 4.453 1.331 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.213 6.692 2.155 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.832 5.485 1.908 1.00 0.00 C ATOM 0 H PHE A 70 -0.212 4.554 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.203 7.288 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.186 5.103 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.292 6.779 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.240 3.822 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.407 7.812 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.602 3.507 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.769 7.502 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.872 5.347 2.165 1.00 0.00 H new ATOM 1088 N LYS A 71 1.062 8.298 -0.641 1.00 0.00 N ATOM 1089 CA LYS A 71 2.377 8.910 -0.673 1.00 0.00 C ATOM 1090 C LYS A 71 3.003 8.856 0.714 1.00 0.00 C ATOM 1091 O LYS A 71 2.399 9.279 1.699 1.00 0.00 O ATOM 1092 CB LYS A 71 2.296 10.358 -1.170 1.00 0.00 C ATOM 1093 CG LYS A 71 2.415 10.521 -2.681 1.00 0.00 C ATOM 1094 CD LYS A 71 1.161 10.075 -3.423 1.00 0.00 C ATOM 1095 CE LYS A 71 1.178 8.586 -3.734 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.111 8.130 -4.319 1.00 0.00 N ATOM 0 H LYS A 71 0.289 8.959 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 71 3.004 8.353 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.348 10.786 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.087 10.936 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.617 11.566 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.268 9.944 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.282 10.309 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.071 10.638 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.990 8.369 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.381 8.026 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.047 7.267 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.787 7.928 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.496 8.875 -4.934 1.00 0.00 H new ATOM 1110 N LYS A 72 4.203 8.305 0.787 1.00 0.00 N ATOM 1111 CA LYS A 72 4.897 8.140 2.053 1.00 0.00 C ATOM 1112 C LYS A 72 6.193 8.939 2.030 1.00 0.00 C ATOM 1113 O LYS A 72 6.505 9.586 1.028 1.00 0.00 O ATOM 1114 CB LYS A 72 5.192 6.659 2.302 1.00 0.00 C ATOM 1115 CG LYS A 72 3.973 5.755 2.171 1.00 0.00 C ATOM 1116 CD LYS A 72 2.986 5.934 3.319 1.00 0.00 C ATOM 1117 CE LYS A 72 3.569 5.454 4.637 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.533 5.325 5.696 1.00 0.00 N ATOM 0 H LYS A 72 4.720 7.962 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 72 4.265 8.508 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.955 6.327 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.610 6.545 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.469 5.965 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.298 4.715 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.712 6.986 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.071 5.382 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.055 4.490 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.339 6.151 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.989 5.331 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.868 6.122 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.016 4.432 5.569 1.00 0.00 H new ATOM 1132 N ALA A 73 6.953 8.883 3.115 1.00 0.00 N ATOM 1133 CA ALA A 73 8.210 9.617 3.207 1.00 0.00 C ATOM 1134 C ALA A 73 9.238 9.050 2.235 1.00 0.00 C ATOM 1135 O ALA A 73 9.880 8.037 2.513 1.00 0.00 O ATOM 1136 CB ALA A 73 8.743 9.582 4.629 1.00 0.00 C ATOM 0 H ALA A 73 6.722 8.337 3.945 1.00 0.00 H new ATOM 0 HA ALA A 73 8.021 10.655 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.681 10.134 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.016 10.038 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.914 8.548 4.928 1.00 0.00 H new ATOM 1142 N GLY A 74 9.356 9.691 1.076 1.00 0.00 N ATOM 1143 CA GLY A 74 10.284 9.242 0.053 1.00 0.00 C ATOM 1144 C GLY A 74 9.915 7.886 -0.509 1.00 0.00 C ATOM 1145 O GLY A 74 10.738 7.223 -1.144 1.00 0.00 O ATOM 0 H GLY A 74 8.820 10.522 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.309 9.972 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.289 9.196 0.473 1.00 0.00 H new ATOM 1149 N HIS A 75 8.676 7.467 -0.275 1.00 0.00 N ATOM 1150 CA HIS A 75 8.229 6.139 -0.662 1.00 0.00 C ATOM 1151 C HIS A 75 6.778 6.165 -1.114 1.00 0.00 C ATOM 1152 O HIS A 75 6.091 7.181 -0.982 1.00 0.00 O ATOM 1153 CB HIS A 75 8.380 5.170 0.511 1.00 0.00 C ATOM 1154 CG HIS A 75 9.801 4.902 0.890 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.327 5.224 2.121 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.812 4.346 0.186 1.00 0.00 C ATOM 1157 CE1 HIS A 75 11.599 4.881 2.154 1.00 0.00 C ATOM 1158 NE2 HIS A 75 11.918 4.346 0.992 1.00 0.00 N ATOM 0 H HIS A 75 7.962 8.033 0.183 1.00 0.00 H new ATOM 0 HA HIS A 75 8.849 5.804 -1.494 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.853 5.575 1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.897 4.227 0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.757 3.971 -0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.267 5.015 2.992 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.839 3.990 0.736 1.00 0.00 H new ATOM 1167 N PHE A 76 6.317 5.045 -1.637 1.00 0.00 N ATOM 1168 CA PHE A 76 4.938 4.901 -2.070 1.00 0.00 C ATOM 1169 C PHE A 76 4.398 3.568 -1.590 1.00 0.00 C ATOM 1170 O PHE A 76 4.938 2.528 -1.930 1.00 0.00 O ATOM 1171 CB PHE A 76 4.846 4.961 -3.594 1.00 0.00 C ATOM 1172 CG PHE A 76 5.298 6.264 -4.187 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.556 7.417 -4.002 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.459 6.330 -4.938 1.00 0.00 C ATOM 1175 CE1 PHE A 76 4.965 8.613 -4.554 1.00 0.00 C ATOM 1176 CE2 PHE A 76 6.872 7.524 -5.492 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.125 8.667 -5.300 1.00 0.00 C ATOM 0 H PHE A 76 6.886 4.210 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 76 4.351 5.717 -1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.447 4.155 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.814 4.778 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.647 7.380 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.048 5.438 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.378 9.507 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.780 7.563 -6.076 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.447 9.603 -5.733 1.00 0.00 H new ATOM 1187 N ILE A 77 3.346 3.584 -0.798 1.00 0.00 N ATOM 1188 CA ILE A 77 2.801 2.341 -0.287 1.00 0.00 C ATOM 1189 C ILE A 77 1.340 2.198 -0.674 1.00 0.00 C ATOM 1190 O ILE A 77 0.554 3.136 -0.545 1.00 0.00 O ATOM 1191 CB ILE A 77 2.965 2.222 1.246 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.450 2.288 1.619 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.349 0.923 1.755 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.719 2.117 3.100 1.00 0.00 C ATOM 0 H ILE A 77 2.857 4.427 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 77 3.369 1.530 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 77 2.443 3.055 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.987 1.514 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.854 3.247 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.475 0.859 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.287 0.905 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.844 0.075 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.792 2.176 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.212 2.906 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.347 1.146 3.428 1.00 0.00 H new ATOM 1206 N VAL A 78 0.996 1.024 -1.173 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.361 0.736 -1.594 1.00 0.00 C ATOM 1208 C VAL A 78 -1.053 -0.138 -0.560 1.00 0.00 C ATOM 1209 O VAL A 78 -0.707 -1.307 -0.384 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.390 0.026 -2.965 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.820 -0.245 -3.406 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.346 0.849 -4.010 1.00 0.00 C ATOM 0 H VAL A 78 1.646 0.248 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.886 1.686 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 78 0.119 -0.932 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.813 -0.746 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.313 -0.882 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.360 0.698 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.314 0.332 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.131 1.824 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.384 0.982 -3.704 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.014 0.439 0.135 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.749 -0.272 1.158 1.00 0.00 C ATOM 1224 C TYR A 79 -3.990 -0.915 0.556 1.00 0.00 C ATOM 1225 O TYR A 79 -4.836 -0.233 -0.028 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.138 0.684 2.285 1.00 0.00 C ATOM 1227 CG TYR A 79 -1.961 1.249 3.058 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.155 2.238 2.513 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.668 0.802 4.341 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.092 2.766 3.218 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.605 1.325 5.053 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.180 2.307 4.487 1.00 0.00 C ATOM 1233 OH TYR A 79 1.236 2.838 5.195 1.00 0.00 O ATOM 0 H TYR A 79 -2.305 1.408 0.006 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.114 -1.056 1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.711 1.510 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.796 0.161 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.363 2.602 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.281 0.034 4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.523 3.536 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.390 0.966 6.049 1.00 0.00 H new ATOM 0 HH TYR A 79 1.291 2.406 6.073 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.080 -2.228 0.681 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.199 -2.982 0.149 1.00 0.00 C ATOM 1245 C PHE A 80 -6.230 -3.239 1.238 1.00 0.00 C ATOM 1246 O PHE A 80 -5.922 -3.853 2.261 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.710 -4.314 -0.424 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.880 -4.180 -1.672 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.525 -3.907 -1.595 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.460 -4.336 -2.921 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.762 -3.788 -2.743 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.704 -4.219 -4.071 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.353 -3.946 -3.982 1.00 0.00 C ATOM 0 H PHE A 80 -3.380 -2.800 1.154 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.663 -2.399 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.123 -4.830 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.574 -4.943 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.059 -3.786 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.516 -4.552 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.706 -3.572 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.169 -4.341 -5.038 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.759 -3.856 -4.880 1.00 0.00 H new ATOM 1263 N THR A 81 -7.443 -2.761 1.026 1.00 0.00 N ATOM 1264 CA THR A 81 -8.516 -2.977 1.979 1.00 0.00 C ATOM 1265 C THR A 81 -9.545 -3.947 1.395 1.00 0.00 C ATOM 1266 O THR A 81 -9.600 -4.129 0.178 1.00 0.00 O ATOM 1267 CB THR A 81 -9.202 -1.647 2.367 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.767 -1.007 1.210 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.214 -0.701 3.030 1.00 0.00 C ATOM 0 H THR A 81 -7.709 -2.221 0.203 1.00 0.00 H new ATOM 0 HA THR A 81 -8.084 -3.407 2.882 1.00 0.00 H new ATOM 0 HB THR A 81 -9.999 -1.883 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.171 -0.289 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.720 0.228 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.815 -1.165 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.398 -0.486 2.341 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.356 -4.595 2.250 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.403 -5.532 1.802 1.00 0.00 C ATOM 1279 C PRO A 82 -12.574 -4.811 1.132 1.00 0.00 C ATOM 1280 O PRO A 82 -13.719 -4.912 1.576 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.855 -6.198 3.104 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.555 -5.198 4.167 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.311 -4.482 3.721 1.00 0.00 C ATOM 0 HA PRO A 82 -11.036 -6.234 1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.918 -6.440 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.320 -7.132 3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.383 -4.501 4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.401 -5.686 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.310 -3.441 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.413 -4.944 4.132 1.00 0.00 H new