USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 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 48 ASN : amide:sc= 0.601 K(o=2.8,f=-6.9) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -115:sc= 2.22 (180deg=0.389) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.883 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.103) USER MOD Single : A 24 CYS SG : rot 36:sc= 0.0621 USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0974 (180deg=-0.341) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0449 (180deg=-0.233) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -2.71! (180deg=-5.08!) USER MOD Single : A 35 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0128 (180deg=-0.182) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -152:sc= 1.32 USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= 0.234 (180deg=-0.356) USER MOD Single : A 58 THR OG1 : rot -76:sc= 1.2 USER MOD Single : A 61 SER OG : rot 18:sc= -0.205! USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-6.44e-05) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -10.024 -3.306 3.752 1.00 0.00 N ATOM 46 CA SER A 5 -9.849 -1.910 3.383 1.00 0.00 C ATOM 47 C SER A 5 -9.578 -1.025 4.594 1.00 0.00 C ATOM 48 O SER A 5 -10.336 -1.002 5.566 1.00 0.00 O ATOM 49 CB SER A 5 -11.048 -1.440 2.574 1.00 0.00 C ATOM 50 OG SER A 5 -10.941 -0.074 2.208 1.00 0.00 O ATOM 0 HA SER A 5 -8.961 -1.825 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.140 -2.050 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.958 -1.589 3.155 1.00 0.00 H new ATOM 0 HG SER A 5 -11.730 0.188 1.688 1.00 0.00 H new ATOM 56 N ARG A 6 -8.481 -0.289 4.511 1.00 0.00 N ATOM 57 CA ARG A 6 -7.975 0.472 5.637 1.00 0.00 C ATOM 58 C ARG A 6 -7.251 1.728 5.171 1.00 0.00 C ATOM 59 O ARG A 6 -7.155 1.990 3.980 1.00 0.00 O ATOM 60 CB ARG A 6 -7.023 -0.390 6.449 1.00 0.00 C ATOM 61 CG ARG A 6 -5.771 -0.803 5.699 1.00 0.00 C ATOM 62 CD ARG A 6 -5.068 -1.953 6.397 1.00 0.00 C ATOM 63 NE ARG A 6 -5.860 -3.183 6.357 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.008 -4.018 7.386 1.00 0.00 C ATOM 65 NH1 ARG A 6 -5.465 -3.735 8.566 1.00 0.00 N ATOM 66 NH2 ARG A 6 -6.700 -5.140 7.233 1.00 0.00 N ATOM 0 H ARG A 6 -7.920 -0.204 3.664 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.822 0.773 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.733 0.155 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.550 -1.286 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.033 -1.097 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.094 0.047 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.102 -2.128 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.871 -1.682 7.434 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.331 -3.417 5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.931 -2.875 8.689 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.582 -4.378 9.349 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.118 -5.362 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.814 -5.780 8.019 1.00 0.00 H new ATOM 80 N LEU A 7 -6.735 2.482 6.126 1.00 0.00 N ATOM 81 CA LEU A 7 -6.091 3.760 5.845 1.00 0.00 C ATOM 82 C LEU A 7 -4.612 3.559 5.501 1.00 0.00 C ATOM 83 O LEU A 7 -3.798 3.244 6.371 1.00 0.00 O ATOM 84 CB LEU A 7 -6.247 4.680 7.068 1.00 0.00 C ATOM 85 CG LEU A 7 -6.096 6.191 6.823 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.658 6.564 6.513 1.00 0.00 C ATOM 87 CD2 LEU A 7 -7.016 6.643 5.702 1.00 0.00 C ATOM 0 H LEU A 7 -6.749 2.230 7.114 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.569 4.223 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.231 4.503 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.510 4.381 7.814 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.382 6.705 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.589 7.639 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.021 6.286 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.330 6.036 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.896 7.715 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.763 6.109 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.050 6.430 5.972 1.00 0.00 H new ATOM 99 N TRP A 8 -4.282 3.738 4.232 1.00 0.00 N ATOM 100 CA TRP A 8 -2.902 3.664 3.761 1.00 0.00 C ATOM 101 C TRP A 8 -2.268 5.052 3.775 1.00 0.00 C ATOM 102 O TRP A 8 -2.964 6.056 3.589 1.00 0.00 O ATOM 103 CB TRP A 8 -2.853 3.099 2.337 1.00 0.00 C ATOM 104 CG TRP A 8 -3.327 1.677 2.218 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.604 1.220 2.359 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.524 0.533 1.910 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.644 -0.141 2.166 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.379 -0.586 1.887 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.164 0.347 1.648 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.913 -1.870 1.615 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.705 -0.926 1.380 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.577 -2.020 1.364 1.00 0.00 C ATOM 0 H TRP A 8 -4.960 3.939 3.497 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.347 3.004 4.427 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.462 3.728 1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.829 3.160 1.970 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.460 1.837 2.589 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.479 -0.724 2.222 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.484 1.186 1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.583 -2.717 1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.345 -1.081 1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.187 -3.004 1.149 1.00 0.00 H new ATOM 123 N VAL A 9 -0.961 5.107 3.999 1.00 0.00 N ATOM 124 CA VAL A 9 -0.230 6.373 4.020 1.00 0.00 C ATOM 125 C VAL A 9 1.012 6.267 3.131 1.00 0.00 C ATOM 126 O VAL A 9 1.527 5.172 2.906 1.00 0.00 O ATOM 127 CB VAL A 9 0.196 6.757 5.461 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.727 8.182 5.512 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.960 6.595 6.434 1.00 0.00 C ATOM 0 H VAL A 9 -0.381 4.286 4.170 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.893 7.151 3.642 1.00 0.00 H new ATOM 0 HB VAL A 9 0.996 6.079 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.018 8.425 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.593 8.271 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.050 8.872 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.633 6.871 7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.784 7.240 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.293 5.557 6.434 1.00 0.00 H new ATOM 139 N ASP A 10 1.489 7.399 2.614 1.00 0.00 N ATOM 140 CA ASP A 10 2.652 7.394 1.727 1.00 0.00 C ATOM 141 C ASP A 10 3.915 7.827 2.469 1.00 0.00 C ATOM 142 O ASP A 10 3.875 8.121 3.664 1.00 0.00 O ATOM 143 CB ASP A 10 2.433 8.307 0.510 1.00 0.00 C ATOM 144 CG ASP A 10 2.831 9.748 0.770 1.00 0.00 C ATOM 145 OD1 ASP A 10 2.125 10.436 1.524 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.854 10.198 0.214 1.00 0.00 O ATOM 0 H ASP A 10 1.093 8.322 2.791 1.00 0.00 H new ATOM 0 HA ASP A 10 2.781 6.370 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.008 7.924 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.382 8.273 0.221 1.00 0.00 H new ATOM 151 N ARG A 11 5.026 7.874 1.742 1.00 0.00 N ATOM 152 CA ARG A 11 6.328 8.212 2.308 1.00 0.00 C ATOM 153 C ARG A 11 6.315 9.613 2.916 1.00 0.00 C ATOM 154 O ARG A 11 6.667 9.802 4.080 1.00 0.00 O ATOM 155 CB ARG A 11 7.395 8.132 1.201 1.00 0.00 C ATOM 156 CG ARG A 11 8.837 7.972 1.684 1.00 0.00 C ATOM 157 CD ARG A 11 9.357 9.185 2.447 1.00 0.00 C ATOM 158 NE ARG A 11 9.170 10.439 1.708 1.00 0.00 N ATOM 159 CZ ARG A 11 10.084 11.406 1.642 1.00 0.00 C ATOM 160 NH1 ARG A 11 11.279 11.233 2.191 1.00 0.00 N ATOM 161 NH2 ARG A 11 9.801 12.544 1.018 1.00 0.00 N ATOM 0 H ARG A 11 5.050 7.678 0.741 1.00 0.00 H new ATOM 0 HA ARG A 11 6.561 7.502 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.154 7.293 0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.332 9.035 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.902 7.093 2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.482 7.788 0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.844 9.253 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.417 9.048 2.661 1.00 0.00 H new ATOM 0 HE ARG A 11 8.288 10.579 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.500 10.358 2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.977 11.975 2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.885 12.677 0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.500 13.285 0.967 1.00 0.00 H new ATOM 175 N SER A 12 5.888 10.587 2.125 1.00 0.00 N ATOM 176 CA SER A 12 6.049 11.988 2.485 1.00 0.00 C ATOM 177 C SER A 12 4.960 12.466 3.443 1.00 0.00 C ATOM 178 O SER A 12 5.021 13.588 3.949 1.00 0.00 O ATOM 179 CB SER A 12 6.061 12.843 1.223 1.00 0.00 C ATOM 180 OG SER A 12 7.081 12.411 0.333 1.00 0.00 O ATOM 0 H SER A 12 5.427 10.432 1.228 1.00 0.00 H new ATOM 0 HA SER A 12 7.000 12.091 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.091 12.784 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.221 13.888 1.487 1.00 0.00 H new ATOM 0 HG SER A 12 7.072 12.971 -0.471 1.00 0.00 H new ATOM 186 N GLY A 13 3.967 11.621 3.687 1.00 0.00 N ATOM 187 CA GLY A 13 2.922 11.960 4.631 1.00 0.00 C ATOM 188 C GLY A 13 1.864 12.859 4.027 1.00 0.00 C ATOM 189 O GLY A 13 1.226 13.644 4.726 1.00 0.00 O ATOM 0 H GLY A 13 3.867 10.706 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.453 11.045 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.364 12.455 5.495 1.00 0.00 H new ATOM 193 N THR A 14 1.677 12.739 2.726 1.00 0.00 N ATOM 194 CA THR A 14 0.675 13.512 2.015 1.00 0.00 C ATOM 195 C THR A 14 -0.564 12.653 1.790 1.00 0.00 C ATOM 196 O THR A 14 -1.700 13.123 1.884 1.00 0.00 O ATOM 197 CB THR A 14 1.220 13.993 0.654 1.00 0.00 C ATOM 198 OG1 THR A 14 2.431 14.739 0.844 1.00 0.00 O ATOM 199 CG2 THR A 14 0.202 14.856 -0.074 1.00 0.00 C ATOM 0 H THR A 14 2.213 12.105 2.134 1.00 0.00 H new ATOM 0 HA THR A 14 0.418 14.385 2.616 1.00 0.00 H new ATOM 0 HB THR A 14 1.423 13.112 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.770 15.039 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.616 15.179 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.706 14.279 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.035 15.730 0.533 1.00 0.00 H new ATOM 207 N PHE A 15 -0.321 11.384 1.521 1.00 0.00 N ATOM 208 CA PHE A 15 -1.372 10.437 1.208 1.00 0.00 C ATOM 209 C PHE A 15 -1.970 9.796 2.444 1.00 0.00 C ATOM 210 O PHE A 15 -1.260 9.244 3.282 1.00 0.00 O ATOM 211 CB PHE A 15 -0.829 9.324 0.316 1.00 0.00 C ATOM 212 CG PHE A 15 -1.003 9.567 -1.146 1.00 0.00 C ATOM 213 CD1 PHE A 15 -0.412 10.653 -1.762 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.759 8.693 -1.903 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.575 10.867 -3.115 1.00 0.00 C ATOM 216 CE2 PHE A 15 -1.927 8.900 -3.258 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.333 9.989 -3.866 1.00 0.00 C ATOM 0 H PHE A 15 0.616 10.980 1.514 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.152 11.004 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.232 9.191 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.325 8.390 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.183 11.341 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.223 7.840 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.111 11.720 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.521 8.212 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.461 10.154 -4.926 1.00 0.00 H new ATOM 227 N LYS A 16 -3.278 9.896 2.553 1.00 0.00 N ATOM 228 CA LYS A 16 -4.042 8.985 3.373 1.00 0.00 C ATOM 229 C LYS A 16 -5.207 8.502 2.537 1.00 0.00 C ATOM 230 O LYS A 16 -5.921 9.310 1.943 1.00 0.00 O ATOM 231 CB LYS A 16 -4.580 9.640 4.644 1.00 0.00 C ATOM 232 CG LYS A 16 -3.528 10.112 5.634 1.00 0.00 C ATOM 233 CD LYS A 16 -4.161 10.363 6.997 1.00 0.00 C ATOM 234 CE LYS A 16 -3.206 11.042 7.965 1.00 0.00 C ATOM 235 NZ LYS A 16 -2.922 12.446 7.570 1.00 0.00 N ATOM 0 H LYS A 16 -3.836 10.606 2.079 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.390 8.171 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.195 10.494 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.235 8.930 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.741 9.363 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.059 11.026 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.049 10.982 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.490 9.415 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.633 11.026 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.272 10.481 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.408 12.925 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.342 12.453 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.817 12.944 7.389 1.00 0.00 H new ATOM 249 N VAL A 17 -5.397 7.201 2.482 1.00 0.00 N ATOM 250 CA VAL A 17 -6.460 6.632 1.669 1.00 0.00 C ATOM 251 C VAL A 17 -6.969 5.330 2.231 1.00 0.00 C ATOM 252 O VAL A 17 -6.202 4.448 2.595 1.00 0.00 O ATOM 253 CB VAL A 17 -6.044 6.394 0.202 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.451 7.578 -0.649 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.549 6.121 0.087 1.00 0.00 C ATOM 0 H VAL A 17 -4.834 6.517 2.987 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.252 7.381 1.691 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.562 5.508 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.154 7.402 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.532 7.707 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.960 8.478 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.288 5.958 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.992 6.976 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.296 5.234 0.667 1.00 0.00 H new ATOM 265 N ASP A 18 -8.274 5.224 2.282 1.00 0.00 N ATOM 266 CA ASP A 18 -8.926 4.008 2.724 1.00 0.00 C ATOM 267 C ASP A 18 -9.118 3.080 1.554 1.00 0.00 C ATOM 268 O ASP A 18 -9.836 3.387 0.600 1.00 0.00 O ATOM 269 CB ASP A 18 -10.265 4.319 3.372 1.00 0.00 C ATOM 270 CG ASP A 18 -11.153 5.156 2.473 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.840 6.347 2.254 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.148 4.624 1.943 1.00 0.00 O ATOM 0 H ASP A 18 -8.915 5.973 2.020 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.293 3.523 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.774 3.387 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.099 4.848 4.311 1.00 0.00 H new ATOM 277 N ALA A 19 -8.463 1.951 1.638 1.00 0.00 N ATOM 278 CA ALA A 19 -8.454 0.998 0.549 1.00 0.00 C ATOM 279 C ALA A 19 -7.869 -0.315 1.013 1.00 0.00 C ATOM 280 O ALA A 19 -7.300 -0.402 2.099 1.00 0.00 O ATOM 281 CB ALA A 19 -7.652 1.546 -0.623 1.00 0.00 C ATOM 0 H ALA A 19 -7.924 1.664 2.455 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.480 0.829 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.653 0.820 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.102 2.477 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.626 1.734 -0.306 1.00 0.00 H new ATOM 287 N GLU A 20 -8.027 -1.339 0.212 1.00 0.00 N ATOM 288 CA GLU A 20 -7.423 -2.613 0.518 1.00 0.00 C ATOM 289 C GLU A 20 -6.602 -3.100 -0.664 1.00 0.00 C ATOM 290 O GLU A 20 -7.041 -3.007 -1.814 1.00 0.00 O ATOM 291 CB GLU A 20 -8.494 -3.636 0.879 1.00 0.00 C ATOM 292 CG GLU A 20 -7.910 -4.930 1.396 1.00 0.00 C ATOM 293 CD GLU A 20 -7.111 -4.744 2.669 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.708 -4.814 3.767 1.00 0.00 O ATOM 295 OE2 GLU A 20 -5.885 -4.529 2.573 1.00 0.00 O ATOM 0 H GLU A 20 -8.566 -1.317 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.762 -2.489 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.156 -3.213 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.105 -3.843 0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.716 -5.640 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.269 -5.366 0.630 1.00 0.00 H new ATOM 302 N PHE A 21 -5.414 -3.614 -0.370 1.00 0.00 N ATOM 303 CA PHE A 21 -4.503 -4.087 -1.400 1.00 0.00 C ATOM 304 C PHE A 21 -5.086 -5.293 -2.122 1.00 0.00 C ATOM 305 O PHE A 21 -5.498 -6.274 -1.498 1.00 0.00 O ATOM 306 CB PHE A 21 -3.128 -4.413 -0.795 1.00 0.00 C ATOM 307 CG PHE A 21 -2.316 -5.383 -1.610 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.516 -4.944 -2.654 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.357 -6.739 -1.330 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.783 -5.839 -3.402 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.628 -7.638 -2.078 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.837 -7.187 -3.114 1.00 0.00 C ATOM 0 H PHE A 21 -5.059 -3.713 0.581 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.368 -3.292 -2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.563 -3.487 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.270 -4.824 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.467 -3.890 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.968 -7.096 -0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.166 -5.485 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.676 -8.693 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.261 -7.888 -3.699 1.00 0.00 H new ATOM 322 N ILE A 22 -5.140 -5.193 -3.439 1.00 0.00 N ATOM 323 CA ILE A 22 -5.656 -6.267 -4.267 1.00 0.00 C ATOM 324 C ILE A 22 -4.503 -6.978 -4.970 1.00 0.00 C ATOM 325 O ILE A 22 -4.385 -8.203 -4.923 1.00 0.00 O ATOM 326 CB ILE A 22 -6.637 -5.735 -5.338 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.119 -4.324 -4.994 1.00 0.00 C ATOM 328 CG2 ILE A 22 -7.832 -6.664 -5.459 1.00 0.00 C ATOM 329 CD1 ILE A 22 -7.965 -3.694 -6.080 1.00 0.00 C ATOM 0 H ILE A 22 -4.830 -4.373 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.190 -6.959 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.106 -5.697 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.696 -4.361 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.254 -3.689 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.516 -6.280 -6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.492 -7.658 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.347 -6.721 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.272 -2.695 -5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.384 -3.625 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.849 -4.307 -6.254 1.00 0.00 H new ATOM 341 N GLY A 23 -3.649 -6.191 -5.607 1.00 0.00 N ATOM 342 CA GLY A 23 -2.521 -6.736 -6.334 1.00 0.00 C ATOM 343 C GLY A 23 -1.447 -5.693 -6.559 1.00 0.00 C ATOM 344 O GLY A 23 -1.748 -4.509 -6.685 1.00 0.00 O ATOM 0 H GLY A 23 -3.719 -5.174 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.102 -7.577 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.860 -7.124 -7.295 1.00 0.00 H new ATOM 348 N CYS A 24 -0.196 -6.122 -6.590 1.00 0.00 N ATOM 349 CA CYS A 24 0.916 -5.204 -6.782 1.00 0.00 C ATOM 350 C CYS A 24 1.518 -5.402 -8.167 1.00 0.00 C ATOM 351 O CYS A 24 1.825 -6.529 -8.564 1.00 0.00 O ATOM 352 CB CYS A 24 1.964 -5.414 -5.680 1.00 0.00 C ATOM 353 SG CYS A 24 3.510 -4.505 -5.912 1.00 0.00 S ATOM 0 H CYS A 24 0.076 -7.100 -6.485 1.00 0.00 H new ATOM 0 HA CYS A 24 0.557 -4.177 -6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.528 -5.122 -4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.192 -6.478 -5.614 1.00 0.00 H new ATOM 0 HG CYS A 24 3.257 -3.348 -6.449 1.00 0.00 H new ATOM 359 N ALA A 25 1.674 -4.310 -8.904 1.00 0.00 N ATOM 360 CA ALA A 25 2.116 -4.378 -10.284 1.00 0.00 C ATOM 361 C ALA A 25 2.870 -3.121 -10.680 1.00 0.00 C ATOM 362 O ALA A 25 2.425 -2.012 -10.396 1.00 0.00 O ATOM 363 CB ALA A 25 0.925 -4.579 -11.205 1.00 0.00 C ATOM 0 H ALA A 25 1.499 -3.364 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 25 2.793 -5.227 -10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.268 -4.629 -12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.418 -5.508 -10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.233 -3.744 -11.092 1.00 0.00 H new ATOM 369 N LYS A 26 4.018 -3.313 -11.323 1.00 0.00 N ATOM 370 CA LYS A 26 4.830 -2.216 -11.858 1.00 0.00 C ATOM 371 C LYS A 26 5.348 -1.310 -10.739 1.00 0.00 C ATOM 372 O LYS A 26 5.666 -0.143 -10.971 1.00 0.00 O ATOM 373 CB LYS A 26 4.034 -1.374 -12.871 1.00 0.00 C ATOM 374 CG LYS A 26 3.272 -2.180 -13.918 1.00 0.00 C ATOM 375 CD LYS A 26 4.186 -3.070 -14.740 1.00 0.00 C ATOM 376 CE LYS A 26 3.406 -3.808 -15.819 1.00 0.00 C ATOM 377 NZ LYS A 26 2.258 -4.570 -15.255 1.00 0.00 N ATOM 0 H LYS A 26 4.416 -4.237 -11.490 1.00 0.00 H new ATOM 0 HA LYS A 26 5.681 -2.670 -12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.325 -0.751 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.722 -0.701 -13.382 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.520 -2.794 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.740 -1.498 -14.582 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.968 -2.467 -15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.681 -3.790 -14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.040 -3.092 -16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.072 -4.492 -16.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.879 -5.214 -15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.578 -5.122 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.514 -3.907 -14.958 1.00 0.00 H new ATOM 391 N GLY A 27 5.438 -1.850 -9.531 1.00 0.00 N ATOM 392 CA GLY A 27 5.858 -1.051 -8.396 1.00 0.00 C ATOM 393 C GLY A 27 4.704 -0.278 -7.789 1.00 0.00 C ATOM 394 O GLY A 27 4.888 0.528 -6.876 1.00 0.00 O ATOM 0 H GLY A 27 5.228 -2.825 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.298 -1.700 -7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.636 -0.355 -8.710 1.00 0.00 H new ATOM 398 N LYS A 28 3.511 -0.519 -8.311 1.00 0.00 N ATOM 399 CA LYS A 28 2.305 0.128 -7.822 1.00 0.00 C ATOM 400 C LYS A 28 1.509 -0.832 -6.964 1.00 0.00 C ATOM 401 O LYS A 28 1.592 -2.050 -7.130 1.00 0.00 O ATOM 402 CB LYS A 28 1.417 0.563 -8.983 1.00 0.00 C ATOM 403 CG LYS A 28 2.087 1.457 -10.005 1.00 0.00 C ATOM 404 CD LYS A 28 2.241 2.873 -9.493 1.00 0.00 C ATOM 405 CE LYS A 28 2.898 3.768 -10.529 1.00 0.00 C ATOM 406 NZ LYS A 28 2.076 3.875 -11.764 1.00 0.00 N ATOM 0 H LYS A 28 3.353 -1.167 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 28 2.610 0.998 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.046 -0.328 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.549 1.085 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.067 1.052 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.500 1.464 -10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.262 3.275 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.839 2.869 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.052 4.761 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.882 3.372 -10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.413 4.675 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.159 2.996 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.080 4.029 -11.506 1.00 0.00 H new ATOM 420 N ILE A 29 0.725 -0.278 -6.069 1.00 0.00 N ATOM 421 CA ILE A 29 -0.176 -1.066 -5.258 1.00 0.00 C ATOM 422 C ILE A 29 -1.609 -0.814 -5.706 1.00 0.00 C ATOM 423 O ILE A 29 -2.111 0.306 -5.593 1.00 0.00 O ATOM 424 CB ILE A 29 -0.049 -0.718 -3.758 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.412 -0.791 -3.303 1.00 0.00 C ATOM 426 CG2 ILE A 29 -0.907 -1.652 -2.924 1.00 0.00 C ATOM 427 CD1 ILE A 29 2.053 -2.149 -3.494 1.00 0.00 C ATOM 0 H ILE A 29 0.693 0.724 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 29 0.089 -2.115 -5.388 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.401 0.304 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.990 -0.048 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.467 -0.521 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.807 -1.394 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.950 -1.553 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.581 -2.681 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.086 -2.116 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.502 -2.895 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.033 -2.415 -4.551 1.00 0.00 H new ATOM 439 N HIS A 30 -2.254 -1.837 -6.251 1.00 0.00 N ATOM 440 CA HIS A 30 -3.657 -1.715 -6.615 1.00 0.00 C ATOM 441 C HIS A 30 -4.490 -1.795 -5.360 1.00 0.00 C ATOM 442 O HIS A 30 -4.376 -2.749 -4.586 1.00 0.00 O ATOM 443 CB HIS A 30 -4.110 -2.803 -7.591 1.00 0.00 C ATOM 444 CG HIS A 30 -3.432 -2.763 -8.927 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.516 -3.791 -9.834 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.685 -1.802 -9.521 1.00 0.00 C ATOM 447 CE1 HIS A 30 -2.858 -3.468 -10.929 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.341 -2.261 -10.769 1.00 0.00 N ATOM 0 H HIS A 30 -1.836 -2.746 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.788 -0.757 -7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.932 -3.778 -7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.186 -2.713 -7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.410 -0.850 -9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.758 -4.085 -11.810 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.781 -1.756 -11.456 1.00 0.00 H new ATOM 457 N LEU A 31 -5.317 -0.800 -5.163 1.00 0.00 N ATOM 458 CA LEU A 31 -6.087 -0.684 -3.945 1.00 0.00 C ATOM 459 C LEU A 31 -7.553 -0.473 -4.257 1.00 0.00 C ATOM 460 O LEU A 31 -7.909 0.297 -5.147 1.00 0.00 O ATOM 461 CB LEU A 31 -5.567 0.475 -3.095 1.00 0.00 C ATOM 462 CG LEU A 31 -4.120 0.341 -2.620 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.641 1.624 -1.966 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.992 -0.812 -1.646 1.00 0.00 C ATOM 0 H LEU A 31 -5.477 -0.050 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.978 -1.613 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.659 1.396 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.210 0.580 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.496 0.145 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.609 1.502 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.698 2.442 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.271 1.851 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.957 -0.896 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.634 -0.633 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.293 -1.738 -2.137 1.00 0.00 H new ATOM 476 N HIS A 32 -8.394 -1.170 -3.527 1.00 0.00 N ATOM 477 CA HIS A 32 -9.829 -1.024 -3.673 1.00 0.00 C ATOM 478 C HIS A 32 -10.373 -0.264 -2.473 1.00 0.00 C ATOM 479 O HIS A 32 -10.400 -0.781 -1.359 1.00 0.00 O ATOM 480 CB HIS A 32 -10.500 -2.398 -3.823 1.00 0.00 C ATOM 481 CG HIS A 32 -11.966 -2.325 -4.117 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.930 -2.860 -3.296 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.624 -1.797 -5.174 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.120 -2.664 -3.833 1.00 0.00 C ATOM 485 NE2 HIS A 32 -13.965 -2.020 -4.977 1.00 0.00 N ATOM 0 H HIS A 32 -8.109 -1.849 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.052 -0.458 -4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.005 -2.948 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.351 -2.967 -2.905 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.177 -1.293 -6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.062 -2.977 -3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.715 -1.736 -5.607 1.00 0.00 H new ATOM 494 N LYS A 33 -10.763 0.983 -2.711 1.00 0.00 N ATOM 495 CA LYS A 33 -11.203 1.877 -1.654 1.00 0.00 C ATOM 496 C LYS A 33 -12.514 1.431 -1.037 1.00 0.00 C ATOM 497 O LYS A 33 -13.248 0.617 -1.604 1.00 0.00 O ATOM 498 CB LYS A 33 -11.374 3.297 -2.190 1.00 0.00 C ATOM 499 CG LYS A 33 -10.122 3.870 -2.824 1.00 0.00 C ATOM 500 CD LYS A 33 -10.111 5.388 -2.759 1.00 0.00 C ATOM 501 CE LYS A 33 -9.874 5.877 -1.334 1.00 0.00 C ATOM 502 NZ LYS A 33 -11.090 5.801 -0.480 1.00 0.00 N ATOM 0 H LYS A 33 -10.782 1.399 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.431 1.854 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.177 3.302 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.686 3.948 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.242 3.476 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.059 3.549 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.332 5.777 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.060 5.777 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.081 5.283 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.523 6.908 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.988 6.448 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.924 6.073 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.209 4.828 -0.131 1.00 0.00 H new ATOM 516 N ALA A 34 -12.827 2.023 0.108 1.00 0.00 N ATOM 517 CA ALA A 34 -14.045 1.682 0.833 1.00 0.00 C ATOM 518 C ALA A 34 -15.259 2.281 0.137 1.00 0.00 C ATOM 519 O ALA A 34 -16.400 1.911 0.416 1.00 0.00 O ATOM 520 CB ALA A 34 -13.964 2.156 2.274 1.00 0.00 C ATOM 0 H ALA A 34 -12.256 2.740 0.555 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.150 0.597 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.883 1.891 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.116 1.679 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.834 3.238 2.294 1.00 0.00 H new ATOM 526 N ASN A 35 -14.992 3.210 -0.771 1.00 0.00 N ATOM 527 CA ASN A 35 -16.036 3.830 -1.574 1.00 0.00 C ATOM 528 C ASN A 35 -16.190 3.078 -2.900 1.00 0.00 C ATOM 529 O ASN A 35 -16.987 3.456 -3.760 1.00 0.00 O ATOM 530 CB ASN A 35 -15.697 5.304 -1.828 1.00 0.00 C ATOM 531 CG ASN A 35 -16.848 6.079 -2.449 1.00 0.00 C ATOM 532 OD1 ASN A 35 -18.015 5.786 -2.197 1.00 0.00 O ATOM 533 ND2 ASN A 35 -16.524 7.076 -3.258 1.00 0.00 N ATOM 0 H ASN A 35 -14.052 3.553 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.981 3.780 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.416 5.774 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.829 5.364 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.256 7.634 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.543 7.286 -3.441 1.00 0.00 H new ATOM 540 N GLY A 36 -15.409 2.012 -3.064 1.00 0.00 N ATOM 541 CA GLY A 36 -15.522 1.188 -4.257 1.00 0.00 C ATOM 542 C GLY A 36 -14.512 1.548 -5.329 1.00 0.00 C ATOM 543 O GLY A 36 -14.253 0.755 -6.233 1.00 0.00 O ATOM 0 H GLY A 36 -14.703 1.705 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.392 0.141 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.527 1.288 -4.666 1.00 0.00 H new ATOM 547 N VAL A 37 -13.940 2.741 -5.224 1.00 0.00 N ATOM 548 CA VAL A 37 -12.974 3.227 -6.205 1.00 0.00 C ATOM 549 C VAL A 37 -11.724 2.354 -6.215 1.00 0.00 C ATOM 550 O VAL A 37 -11.251 1.929 -5.163 1.00 0.00 O ATOM 551 CB VAL A 37 -12.569 4.686 -5.905 1.00 0.00 C ATOM 552 CG1 VAL A 37 -11.650 5.239 -6.985 1.00 0.00 C ATOM 553 CG2 VAL A 37 -13.804 5.555 -5.754 1.00 0.00 C ATOM 0 H VAL A 37 -14.129 3.395 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.453 3.182 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.017 4.697 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.383 6.268 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.746 4.633 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.162 5.213 -7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.503 6.581 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.382 5.529 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.415 5.180 -4.933 1.00 0.00 H new ATOM 563 N LYS A 38 -11.204 2.081 -7.400 1.00 0.00 N ATOM 564 CA LYS A 38 -9.986 1.300 -7.534 1.00 0.00 C ATOM 565 C LYS A 38 -8.838 2.206 -7.956 1.00 0.00 C ATOM 566 O LYS A 38 -8.899 2.863 -8.998 1.00 0.00 O ATOM 567 CB LYS A 38 -10.191 0.188 -8.554 1.00 0.00 C ATOM 568 CG LYS A 38 -9.073 -0.836 -8.601 1.00 0.00 C ATOM 569 CD LYS A 38 -9.453 -1.988 -9.513 1.00 0.00 C ATOM 570 CE LYS A 38 -9.586 -1.532 -10.958 1.00 0.00 C ATOM 571 NZ LYS A 38 -10.416 -2.466 -11.764 1.00 0.00 N ATOM 0 H LYS A 38 -11.607 2.389 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.740 0.848 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.127 -0.324 -8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.300 0.634 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.156 -0.367 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.870 -1.209 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.698 -2.772 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.395 -2.423 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.031 -0.537 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.595 -1.450 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.481 -2.118 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.979 -3.410 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.370 -2.525 -11.354 1.00 0.00 H new ATOM 585 N ILE A 39 -7.799 2.232 -7.141 1.00 0.00 N ATOM 586 CA ILE A 39 -6.689 3.155 -7.335 1.00 0.00 C ATOM 587 C ILE A 39 -5.366 2.398 -7.424 1.00 0.00 C ATOM 588 O ILE A 39 -5.262 1.259 -6.969 1.00 0.00 O ATOM 589 CB ILE A 39 -6.602 4.190 -6.180 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.216 3.504 -4.862 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.926 4.932 -6.020 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.202 4.436 -3.665 1.00 0.00 C ATOM 0 H ILE A 39 -7.698 1.620 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.872 3.684 -8.270 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.827 4.913 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.915 2.691 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.229 3.056 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.843 5.652 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.163 5.456 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.718 4.218 -5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.920 3.878 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.481 5.236 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.194 4.865 -3.526 1.00 0.00 H new ATOM 604 N ALA A 40 -4.367 3.029 -8.022 1.00 0.00 N ATOM 605 CA ALA A 40 -3.025 2.472 -8.061 1.00 0.00 C ATOM 606 C ALA A 40 -2.041 3.436 -7.414 1.00 0.00 C ATOM 607 O ALA A 40 -1.659 4.449 -8.004 1.00 0.00 O ATOM 608 CB ALA A 40 -2.607 2.167 -9.490 1.00 0.00 C ATOM 0 H ALA A 40 -4.462 3.931 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.023 1.537 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.599 1.751 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.299 1.446 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.623 3.085 -10.077 1.00 0.00 H new ATOM 614 N VAL A 41 -1.640 3.125 -6.196 1.00 0.00 N ATOM 615 CA VAL A 41 -0.694 3.957 -5.473 1.00 0.00 C ATOM 616 C VAL A 41 0.666 3.284 -5.457 1.00 0.00 C ATOM 617 O VAL A 41 0.806 2.165 -4.974 1.00 0.00 O ATOM 618 CB VAL A 41 -1.162 4.222 -4.029 1.00 0.00 C ATOM 619 CG1 VAL A 41 -0.168 5.104 -3.294 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.537 4.864 -4.031 1.00 0.00 C ATOM 0 H VAL A 41 -1.955 2.301 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.627 4.917 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.222 3.267 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.519 5.278 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.803 4.610 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.074 6.058 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.855 5.046 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.496 5.810 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.249 4.198 -4.519 1.00 0.00 H new ATOM 630 N ALA A 42 1.657 3.960 -6.016 1.00 0.00 N ATOM 631 CA ALA A 42 2.999 3.406 -6.113 1.00 0.00 C ATOM 632 C ALA A 42 3.559 3.066 -4.744 1.00 0.00 C ATOM 633 O ALA A 42 3.624 3.913 -3.857 1.00 0.00 O ATOM 634 CB ALA A 42 3.930 4.371 -6.824 1.00 0.00 C ATOM 0 H ALA A 42 1.557 4.895 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 42 2.929 2.486 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.928 3.936 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.556 4.563 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.976 5.308 -6.269 1.00 0.00 H new ATOM 640 N ALA A 43 3.970 1.816 -4.596 1.00 0.00 N ATOM 641 CA ALA A 43 4.584 1.348 -3.353 1.00 0.00 C ATOM 642 C ALA A 43 5.904 2.063 -3.125 1.00 0.00 C ATOM 643 O ALA A 43 6.355 2.231 -1.998 1.00 0.00 O ATOM 644 CB ALA A 43 4.821 -0.152 -3.405 1.00 0.00 C ATOM 0 H ALA A 43 3.891 1.102 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 43 3.904 1.568 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.278 -0.481 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.870 -0.666 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.485 -0.387 -4.237 1.00 0.00 H new ATOM 650 N ASP A 44 6.497 2.477 -4.233 1.00 0.00 N ATOM 651 CA ASP A 44 7.791 3.161 -4.243 1.00 0.00 C ATOM 652 C ASP A 44 7.755 4.446 -3.412 1.00 0.00 C ATOM 653 O ASP A 44 8.741 4.818 -2.779 1.00 0.00 O ATOM 654 CB ASP A 44 8.186 3.485 -5.689 1.00 0.00 C ATOM 655 CG ASP A 44 9.590 4.043 -5.817 1.00 0.00 C ATOM 656 OD1 ASP A 44 10.539 3.249 -5.993 1.00 0.00 O ATOM 657 OD2 ASP A 44 9.751 5.280 -5.778 1.00 0.00 O ATOM 0 H ASP A 44 6.095 2.349 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 44 8.531 2.497 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.106 2.580 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.478 4.205 -6.099 1.00 0.00 H new ATOM 662 N LYS A 45 6.611 5.119 -3.415 1.00 0.00 N ATOM 663 CA LYS A 45 6.461 6.369 -2.677 1.00 0.00 C ATOM 664 C LYS A 45 5.529 6.185 -1.485 1.00 0.00 C ATOM 665 O LYS A 45 5.006 7.153 -0.933 1.00 0.00 O ATOM 666 CB LYS A 45 5.952 7.487 -3.611 1.00 0.00 C ATOM 667 CG LYS A 45 4.750 7.104 -4.474 1.00 0.00 C ATOM 668 CD LYS A 45 3.444 7.086 -3.687 1.00 0.00 C ATOM 669 CE LYS A 45 3.008 8.485 -3.281 1.00 0.00 C ATOM 670 NZ LYS A 45 2.621 9.310 -4.455 1.00 0.00 N ATOM 0 H LYS A 45 5.775 4.822 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 45 7.438 6.664 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.685 8.353 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.768 7.794 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.662 7.809 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.920 6.120 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.663 6.623 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.566 6.471 -2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.166 8.417 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.820 8.976 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.113 10.158 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.475 9.596 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.004 8.755 -5.081 1.00 0.00 H new ATOM 684 N LEU A 46 5.329 4.937 -1.091 1.00 0.00 N ATOM 685 CA LEU A 46 4.416 4.604 -0.017 1.00 0.00 C ATOM 686 C LEU A 46 5.177 4.485 1.303 1.00 0.00 C ATOM 687 O LEU A 46 6.409 4.499 1.320 1.00 0.00 O ATOM 688 CB LEU A 46 3.735 3.288 -0.366 1.00 0.00 C ATOM 689 CG LEU A 46 2.326 3.090 0.174 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.429 4.257 -0.214 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.778 1.788 -0.372 1.00 0.00 C ATOM 0 H LEU A 46 5.795 4.131 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 46 3.667 5.387 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.700 3.199 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.359 2.473 0.001 1.00 0.00 H new ATOM 0 HG LEU A 46 2.354 3.048 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.427 4.093 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.836 5.181 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.381 4.333 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.768 1.631 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.755 1.831 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.416 0.963 -0.055 1.00 0.00 H new ATOM 703 N SER A 47 4.450 4.384 2.404 1.00 0.00 N ATOM 704 CA SER A 47 5.074 4.273 3.710 1.00 0.00 C ATOM 705 C SER A 47 5.456 2.830 4.004 1.00 0.00 C ATOM 706 O SER A 47 4.729 1.884 3.691 1.00 0.00 O ATOM 707 CB SER A 47 4.151 4.815 4.799 1.00 0.00 C ATOM 708 OG SER A 47 4.780 4.768 6.072 1.00 0.00 O ATOM 0 H SER A 47 3.430 4.377 2.418 1.00 0.00 H new ATOM 0 HA SER A 47 5.984 4.874 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.872 5.842 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.230 4.232 4.823 1.00 0.00 H new ATOM 0 HG SER A 47 4.169 5.122 6.752 1.00 0.00 H new ATOM 714 N ASN A 48 6.638 2.697 4.602 1.00 0.00 N ATOM 715 CA ASN A 48 7.232 1.425 4.944 1.00 0.00 C ATOM 716 C ASN A 48 6.281 0.538 5.729 1.00 0.00 C ATOM 717 O ASN A 48 6.303 -0.681 5.581 1.00 0.00 O ATOM 718 CB ASN A 48 8.454 1.696 5.790 1.00 0.00 C ATOM 719 CG ASN A 48 9.590 0.762 5.483 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.388 -0.399 5.142 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.798 1.279 5.582 1.00 0.00 N ATOM 0 H ASN A 48 7.216 3.495 4.865 1.00 0.00 H new ATOM 0 HA ASN A 48 7.483 0.902 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.781 2.724 5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.189 1.605 6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.616 0.708 5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.915 2.251 5.870 1.00 0.00 H new ATOM 728 N GLU A 49 5.464 1.155 6.574 1.00 0.00 N ATOM 729 CA GLU A 49 4.513 0.448 7.384 1.00 0.00 C ATOM 730 C GLU A 49 3.511 -0.272 6.499 1.00 0.00 C ATOM 731 O GLU A 49 3.276 -1.483 6.640 1.00 0.00 O ATOM 732 CB GLU A 49 3.808 1.462 8.272 1.00 0.00 C ATOM 733 CG GLU A 49 4.729 2.167 9.252 1.00 0.00 C ATOM 734 CD GLU A 49 5.391 1.205 10.213 1.00 0.00 C ATOM 735 OE1 GLU A 49 4.767 0.859 11.239 1.00 0.00 O ATOM 736 OE2 GLU A 49 6.541 0.799 9.959 1.00 0.00 O ATOM 0 H GLU A 49 5.452 2.166 6.708 1.00 0.00 H new ATOM 0 HA GLU A 49 5.016 -0.299 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.325 2.208 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.019 0.956 8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.496 2.710 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.159 2.905 9.816 1.00 0.00 H new ATOM 743 N ASP A 50 2.952 0.481 5.566 1.00 0.00 N ATOM 744 CA ASP A 50 2.002 -0.020 4.628 1.00 0.00 C ATOM 745 C ASP A 50 2.618 -1.119 3.778 1.00 0.00 C ATOM 746 O ASP A 50 1.955 -2.108 3.454 1.00 0.00 O ATOM 747 CB ASP A 50 1.541 1.140 3.763 1.00 0.00 C ATOM 748 CG ASP A 50 0.923 2.256 4.578 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.679 3.080 5.127 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.319 2.304 4.688 1.00 0.00 O ATOM 0 H ASP A 50 3.160 1.473 5.450 1.00 0.00 H new ATOM 0 HA ASP A 50 1.150 -0.455 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.389 1.531 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.815 0.780 3.034 1.00 0.00 H new ATOM 755 N LEU A 51 3.902 -0.970 3.443 1.00 0.00 N ATOM 756 CA LEU A 51 4.582 -1.966 2.659 1.00 0.00 C ATOM 757 C LEU A 51 4.777 -3.217 3.482 1.00 0.00 C ATOM 758 O LEU A 51 4.509 -4.305 3.004 1.00 0.00 O ATOM 759 CB LEU A 51 5.920 -1.426 2.168 1.00 0.00 C ATOM 760 CG LEU A 51 5.825 -0.083 1.451 1.00 0.00 C ATOM 761 CD1 LEU A 51 7.151 0.279 0.817 1.00 0.00 C ATOM 762 CD2 LEU A 51 4.717 -0.117 0.414 1.00 0.00 C ATOM 0 H LEU A 51 4.476 -0.169 3.707 1.00 0.00 H new ATOM 0 HA LEU A 51 3.976 -2.214 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.593 -1.324 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.368 -2.155 1.493 1.00 0.00 H new ATOM 0 HG LEU A 51 5.583 0.687 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.062 1.240 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.917 0.345 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.430 -0.487 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.661 0.848 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.927 -0.897 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.766 -0.327 0.904 1.00 0.00 H new ATOM 774 N ALA A 52 5.176 -3.052 4.741 1.00 0.00 N ATOM 775 CA ALA A 52 5.405 -4.189 5.627 1.00 0.00 C ATOM 776 C ALA A 52 4.128 -4.997 5.770 1.00 0.00 C ATOM 777 O ALA A 52 4.154 -6.211 5.980 1.00 0.00 O ATOM 778 CB ALA A 52 5.899 -3.719 6.989 1.00 0.00 C ATOM 0 H ALA A 52 5.347 -2.142 5.170 1.00 0.00 H new ATOM 0 HA ALA A 52 6.176 -4.824 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.063 -4.582 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.835 -3.173 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.153 -3.065 7.441 1.00 0.00 H new ATOM 784 N TYR A 53 3.010 -4.305 5.636 1.00 0.00 N ATOM 785 CA TYR A 53 1.706 -4.936 5.670 1.00 0.00 C ATOM 786 C TYR A 53 1.434 -5.715 4.376 1.00 0.00 C ATOM 787 O TYR A 53 1.097 -6.904 4.410 1.00 0.00 O ATOM 788 CB TYR A 53 0.660 -3.846 5.893 1.00 0.00 C ATOM 789 CG TYR A 53 -0.757 -4.263 5.593 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.411 -5.222 6.354 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.442 -3.681 4.538 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.712 -5.588 6.068 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.737 -4.041 4.244 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.370 -4.997 5.009 1.00 0.00 C ATOM 795 OH TYR A 53 -4.668 -5.353 4.726 1.00 0.00 O ATOM 0 H TYR A 53 2.982 -3.294 5.501 1.00 0.00 H new ATOM 0 HA TYR A 53 1.663 -5.660 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.715 -3.515 6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.911 -2.987 5.270 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.896 -5.688 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.950 -2.931 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.211 -6.333 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.255 -3.577 3.418 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.841 -5.226 3.770 1.00 0.00 H new ATOM 805 N VAL A 54 1.633 -5.074 3.235 1.00 0.00 N ATOM 806 CA VAL A 54 1.373 -5.728 1.962 1.00 0.00 C ATOM 807 C VAL A 54 2.409 -6.820 1.688 1.00 0.00 C ATOM 808 O VAL A 54 2.109 -7.819 1.032 1.00 0.00 O ATOM 809 CB VAL A 54 1.286 -4.710 0.801 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.397 -3.706 0.864 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.264 -5.400 -0.552 1.00 0.00 C ATOM 0 H VAL A 54 1.969 -4.114 3.163 1.00 0.00 H new ATOM 0 HA VAL A 54 0.397 -6.209 2.029 1.00 0.00 H new ATOM 0 HB VAL A 54 0.343 -4.177 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.303 -3.007 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.341 -3.160 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.356 -4.220 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.202 -4.651 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.175 -5.985 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.398 -6.060 -0.610 1.00 0.00 H new ATOM 821 N GLU A 55 3.616 -6.633 2.207 1.00 0.00 N ATOM 822 CA GLU A 55 4.613 -7.697 2.244 1.00 0.00 C ATOM 823 C GLU A 55 4.048 -8.932 2.931 1.00 0.00 C ATOM 824 O GLU A 55 4.332 -10.059 2.529 1.00 0.00 O ATOM 825 CB GLU A 55 5.867 -7.245 2.991 1.00 0.00 C ATOM 826 CG GLU A 55 6.570 -6.073 2.347 1.00 0.00 C ATOM 827 CD GLU A 55 7.874 -5.732 3.034 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.913 -6.305 2.662 1.00 0.00 O ATOM 829 OE2 GLU A 55 7.866 -4.885 3.944 1.00 0.00 O ATOM 0 H GLU A 55 3.930 -5.750 2.610 1.00 0.00 H new ATOM 0 HA GLU A 55 4.877 -7.938 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.594 -6.977 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.562 -8.082 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.764 -6.301 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.913 -5.203 2.368 1.00 0.00 H new ATOM 836 N LYS A 56 3.242 -8.716 3.964 1.00 0.00 N ATOM 837 CA LYS A 56 2.658 -9.803 4.705 1.00 0.00 C ATOM 838 C LYS A 56 1.567 -10.461 3.871 1.00 0.00 C ATOM 839 O LYS A 56 1.421 -11.682 3.868 1.00 0.00 O ATOM 840 CB LYS A 56 2.097 -9.278 6.029 1.00 0.00 C ATOM 841 CG LYS A 56 1.617 -10.376 6.944 1.00 0.00 C ATOM 842 CD LYS A 56 0.142 -10.232 7.303 1.00 0.00 C ATOM 843 CE LYS A 56 -0.768 -10.755 6.199 1.00 0.00 C ATOM 844 NZ LYS A 56 -0.643 -12.228 6.026 1.00 0.00 N ATOM 0 H LYS A 56 2.983 -7.789 4.301 1.00 0.00 H new ATOM 0 HA LYS A 56 3.419 -10.551 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.867 -8.699 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.271 -8.598 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.779 -11.341 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.212 -10.370 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.061 -10.774 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.084 -9.183 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.803 -10.504 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.523 -10.257 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.565 -12.625 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.054 -12.432 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.330 -12.657 6.920 1.00 0.00 H new ATOM 858 N ILE A 57 0.801 -9.638 3.164 1.00 0.00 N ATOM 859 CA ILE A 57 -0.257 -10.135 2.287 1.00 0.00 C ATOM 860 C ILE A 57 0.323 -10.965 1.141 1.00 0.00 C ATOM 861 O ILE A 57 -0.152 -12.066 0.854 1.00 0.00 O ATOM 862 CB ILE A 57 -1.086 -8.979 1.687 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.608 -8.066 2.795 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.244 -9.526 0.863 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.387 -6.877 2.278 1.00 0.00 C ATOM 0 H ILE A 57 0.892 -8.622 3.180 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.905 -10.760 2.902 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.440 -8.395 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.245 -8.646 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.766 -7.709 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.818 -8.698 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.855 -10.141 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.889 -10.131 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.728 -6.272 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.747 -6.275 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.249 -7.226 1.709 1.00 0.00 H new ATOM 877 N THR A 58 1.355 -10.434 0.503 1.00 0.00 N ATOM 878 CA THR A 58 1.927 -11.057 -0.684 1.00 0.00 C ATOM 879 C THR A 58 2.870 -12.202 -0.340 1.00 0.00 C ATOM 880 O THR A 58 2.798 -13.280 -0.931 1.00 0.00 O ATOM 881 CB THR A 58 2.699 -10.031 -1.534 1.00 0.00 C ATOM 882 OG1 THR A 58 3.629 -9.312 -0.708 1.00 0.00 O ATOM 883 CG2 THR A 58 1.753 -9.057 -2.215 1.00 0.00 C ATOM 0 H THR A 58 1.816 -9.570 0.788 1.00 0.00 H new ATOM 0 HA THR A 58 1.084 -11.453 -1.250 1.00 0.00 H new ATOM 0 HB THR A 58 3.243 -10.573 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.145 -8.654 -0.166 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.328 -8.345 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.073 -9.606 -2.866 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.178 -8.520 -1.460 1.00 0.00 H new ATOM 891 N GLY A 59 3.751 -11.962 0.616 1.00 0.00 N ATOM 892 CA GLY A 59 4.785 -12.920 0.929 1.00 0.00 C ATOM 893 C GLY A 59 6.127 -12.461 0.397 1.00 0.00 C ATOM 894 O GLY A 59 7.155 -13.093 0.640 1.00 0.00 O ATOM 0 H GLY A 59 3.767 -11.115 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.845 -13.057 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.531 -13.889 0.499 1.00 0.00 H new ATOM 898 N PHE A 60 6.107 -11.344 -0.325 1.00 0.00 N ATOM 899 CA PHE A 60 7.314 -10.775 -0.907 1.00 0.00 C ATOM 900 C PHE A 60 7.804 -9.624 -0.042 1.00 0.00 C ATOM 901 O PHE A 60 7.192 -9.308 0.978 1.00 0.00 O ATOM 902 CB PHE A 60 7.036 -10.278 -2.328 1.00 0.00 C ATOM 903 CG PHE A 60 6.488 -11.336 -3.244 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.261 -12.427 -3.607 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.199 -11.234 -3.745 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.759 -13.399 -4.453 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.692 -12.202 -4.590 1.00 0.00 C ATOM 908 CZ PHE A 60 5.473 -13.286 -4.944 1.00 0.00 C ATOM 0 H PHE A 60 5.259 -10.813 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 60 8.083 -11.546 -0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.329 -9.449 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.960 -9.886 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.267 -12.519 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.585 -10.389 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.371 -14.245 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.686 -12.112 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.078 -14.044 -5.604 1.00 0.00 H new ATOM 918 N SER A 61 8.906 -9.008 -0.433 1.00 0.00 N ATOM 919 CA SER A 61 9.438 -7.883 0.308 1.00 0.00 C ATOM 920 C SER A 61 9.471 -6.633 -0.569 1.00 0.00 C ATOM 921 O SER A 61 9.895 -6.684 -1.724 1.00 0.00 O ATOM 922 CB SER A 61 10.838 -8.211 0.835 1.00 0.00 C ATOM 923 OG SER A 61 11.216 -7.322 1.875 1.00 0.00 O ATOM 0 H SER A 61 9.447 -9.269 -1.257 1.00 0.00 H new ATOM 0 HA SER A 61 8.786 -7.685 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.860 -9.236 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.560 -8.150 0.020 1.00 0.00 H new ATOM 0 HG SER A 61 10.419 -6.874 2.228 1.00 0.00 H new ATOM 929 N LEU A 62 9.021 -5.510 -0.018 1.00 0.00 N ATOM 930 CA LEU A 62 8.957 -4.260 -0.769 1.00 0.00 C ATOM 931 C LEU A 62 10.168 -3.388 -0.473 1.00 0.00 C ATOM 932 O LEU A 62 10.077 -2.164 -0.445 1.00 0.00 O ATOM 933 CB LEU A 62 7.657 -3.500 -0.465 1.00 0.00 C ATOM 934 CG LEU A 62 6.377 -4.278 -0.787 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.179 -3.359 -0.752 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.474 -4.961 -2.142 1.00 0.00 C ATOM 0 H LEU A 62 8.695 -5.440 0.946 1.00 0.00 H new ATOM 0 HA LEU A 62 8.964 -4.508 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.647 -3.230 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.654 -2.569 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 62 6.254 -5.049 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.278 -3.927 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.086 -2.920 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.307 -2.566 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.551 -5.505 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.629 -4.211 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.312 -5.658 -2.139 1.00 0.00 H new ATOM 948 N GLU A 63 11.301 -4.050 -0.286 1.00 0.00 N ATOM 949 CA GLU A 63 12.568 -3.431 0.043 1.00 0.00 C ATOM 950 C GLU A 63 12.871 -2.188 -0.794 1.00 0.00 C ATOM 951 O GLU A 63 13.047 -1.099 -0.255 1.00 0.00 O ATOM 952 CB GLU A 63 13.647 -4.472 -0.185 1.00 0.00 C ATOM 953 CG GLU A 63 13.620 -5.614 0.813 1.00 0.00 C ATOM 954 CD GLU A 63 14.236 -5.242 2.144 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.730 -4.317 2.811 1.00 0.00 O ATOM 956 OE2 GLU A 63 15.239 -5.877 2.530 1.00 0.00 O ATOM 0 H GLU A 63 11.361 -5.065 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 63 12.529 -3.094 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.539 -4.879 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.622 -3.986 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.588 -5.929 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.154 -6.468 0.396 1.00 0.00 H new ATOM 963 N LYS A 64 12.911 -2.351 -2.111 1.00 0.00 N ATOM 964 CA LYS A 64 13.323 -1.267 -2.998 1.00 0.00 C ATOM 965 C LYS A 64 12.293 -0.141 -3.029 1.00 0.00 C ATOM 966 O LYS A 64 12.558 0.937 -3.560 1.00 0.00 O ATOM 967 CB LYS A 64 13.562 -1.800 -4.415 1.00 0.00 C ATOM 968 CG LYS A 64 12.296 -2.245 -5.131 1.00 0.00 C ATOM 969 CD LYS A 64 12.609 -2.997 -6.419 1.00 0.00 C ATOM 970 CE LYS A 64 13.439 -2.162 -7.389 1.00 0.00 C ATOM 971 NZ LYS A 64 12.699 -0.982 -7.912 1.00 0.00 N ATOM 0 H LYS A 64 12.665 -3.218 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 64 14.254 -0.857 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.048 -1.024 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.253 -2.642 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.710 -2.884 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.682 -1.374 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.147 -3.914 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.677 -3.291 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.345 -1.824 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.752 -2.788 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.304 -0.461 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.839 -1.301 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.437 -0.359 -7.122 1.00 0.00 H new ATOM 985 N PHE A 65 11.126 -0.393 -2.453 1.00 0.00 N ATOM 986 CA PHE A 65 10.049 0.586 -2.445 1.00 0.00 C ATOM 987 C PHE A 65 9.920 1.218 -1.065 1.00 0.00 C ATOM 988 O PHE A 65 9.188 2.187 -0.883 1.00 0.00 O ATOM 989 CB PHE A 65 8.723 -0.077 -2.824 1.00 0.00 C ATOM 990 CG PHE A 65 8.752 -0.814 -4.131 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.864 -0.127 -5.329 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.656 -2.194 -4.160 1.00 0.00 C ATOM 993 CE1 PHE A 65 8.882 -0.804 -6.532 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.674 -2.878 -5.360 1.00 0.00 C ATOM 995 CZ PHE A 65 8.787 -2.182 -6.547 1.00 0.00 C ATOM 0 H PHE A 65 10.901 -1.270 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 65 10.286 1.360 -3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.439 -0.773 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.948 0.688 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.938 0.950 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.566 -2.743 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.970 -0.257 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.600 -3.955 -5.370 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.801 -2.715 -7.486 1.00 0.00 H new ATOM 1005 N LYS A 66 10.644 0.662 -0.098 1.00 0.00 N ATOM 1006 CA LYS A 66 10.512 1.075 1.293 1.00 0.00 C ATOM 1007 C LYS A 66 10.909 2.528 1.492 1.00 0.00 C ATOM 1008 O LYS A 66 11.788 3.050 0.805 1.00 0.00 O ATOM 1009 CB LYS A 66 11.341 0.171 2.204 1.00 0.00 C ATOM 1010 CG LYS A 66 10.711 -1.193 2.424 1.00 0.00 C ATOM 1011 CD LYS A 66 11.566 -2.072 3.318 1.00 0.00 C ATOM 1012 CE LYS A 66 10.845 -3.357 3.689 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.661 -3.089 4.543 1.00 0.00 N ATOM 0 H LYS A 66 11.329 -0.077 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 66 9.460 0.979 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.333 0.041 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.476 0.662 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.725 -1.070 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.565 -1.685 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.500 -2.311 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.828 -1.526 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.531 -3.874 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.531 -4.022 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.810 -3.507 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.527 -2.062 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.816 -3.510 4.107 1.00 0.00 H new