USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot 180:sc= 0.512 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 155:sc= 0.556 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.016) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.84 K(o=0.84,f=-0.016) USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.21) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0088 X(o=-0.0088,f=-0.19) USER MOD Single : A 49 SER OG : rot 71:sc= 1.02 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -0.0737 (180deg=-0.0891) USER MOD Single : A 52 SER OG : rot 75:sc= 0.577 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -30:sc= -0.316 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 1.19 K(o=1.2,f=-8.8!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 64 THR OG1 : rot -74:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 7.143 11.741 -10.533 1.00 10.00 N ATOM 59 CA TRP A 5 5.786 12.100 -10.091 1.00 10.00 C ATOM 60 C TRP A 5 5.763 13.206 -9.030 1.00 10.00 C ATOM 61 O TRP A 5 4.962 14.130 -9.125 1.00 10.00 O ATOM 62 CB TRP A 5 5.052 10.839 -9.609 1.00 10.00 C ATOM 63 CG TRP A 5 5.709 10.082 -8.490 1.00 10.00 C ATOM 64 CD1 TRP A 5 6.569 9.048 -8.641 1.00 10.00 C ATOM 65 CD2 TRP A 5 5.584 10.285 -7.045 1.00 10.00 C ATOM 66 NE1 TRP A 5 7.004 8.617 -7.403 1.00 10.00 N ATOM 67 CE2 TRP A 5 6.437 9.350 -6.382 1.00 10.00 C ATOM 68 CE3 TRP A 5 4.847 11.170 -6.224 1.00 10.00 C ATOM 69 CZ2 TRP A 5 6.565 9.303 -4.985 1.00 10.00 C ATOM 70 CZ3 TRP A 5 4.969 11.132 -4.820 1.00 10.00 C ATOM 71 CH2 TRP A 5 5.825 10.205 -4.202 1.00 10.00 C ATOM 0 HA TRP A 5 5.263 12.518 -10.951 1.00 10.00 H new ATOM 0 HB2 TRP A 5 4.051 11.126 -9.288 1.00 10.00 H new ATOM 0 HB3 TRP A 5 4.934 10.165 -10.457 1.00 10.00 H new ATOM 0 HD1 TRP A 5 6.870 8.624 -9.587 1.00 10.00 H new ATOM 0 HE1 TRP A 5 7.663 7.851 -7.262 1.00 10.00 H new ATOM 0 HE3 TRP A 5 4.180 11.887 -6.680 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 7.223 8.584 -4.519 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 4.400 11.821 -4.214 1.00 10.00 H new ATOM 0 HH2 TRP A 5 5.914 10.186 -3.126 1.00 10.00 H new ATOM 82 N SER A 6 6.692 13.181 -8.074 1.00 10.00 N ATOM 83 CA SER A 6 6.828 14.185 -7.005 1.00 10.00 C ATOM 84 C SER A 6 7.177 15.605 -7.493 1.00 10.00 C ATOM 85 O SER A 6 6.995 16.569 -6.746 1.00 10.00 O ATOM 86 CB SER A 6 7.872 13.703 -5.992 1.00 10.00 C ATOM 87 OG SER A 6 9.121 13.473 -6.632 1.00 10.00 O ATOM 0 H SER A 6 7.393 12.443 -8.016 1.00 10.00 H new ATOM 0 HA SER A 6 5.844 14.276 -6.545 1.00 10.00 H new ATOM 0 HB2 SER A 6 7.992 14.446 -5.204 1.00 10.00 H new ATOM 0 HB3 SER A 6 7.527 12.786 -5.515 1.00 10.00 H new ATOM 0 HG SER A 6 9.776 13.167 -5.970 1.00 10.00 H new ATOM 93 N GLY A 7 7.620 15.758 -8.749 1.00 10.00 N ATOM 94 CA GLY A 7 7.909 17.038 -9.414 1.00 10.00 C ATOM 95 C GLY A 7 6.786 17.546 -10.337 1.00 10.00 C ATOM 96 O GLY A 7 6.948 18.586 -10.981 1.00 10.00 O ATOM 0 H GLY A 7 7.795 14.958 -9.357 1.00 10.00 H new ATOM 0 HA2 GLY A 7 8.105 17.793 -8.652 1.00 10.00 H new ATOM 0 HA3 GLY A 7 8.822 16.931 -9.999 1.00 10.00 H new ATOM 100 N TYR A 8 5.655 16.831 -10.398 1.00 10.00 N ATOM 101 CA TYR A 8 4.456 17.154 -11.179 1.00 10.00 C ATOM 102 C TYR A 8 3.141 16.960 -10.383 1.00 10.00 C ATOM 103 O TYR A 8 2.079 17.461 -10.763 1.00 10.00 O ATOM 104 CB TYR A 8 4.501 16.320 -12.474 1.00 10.00 C ATOM 105 CG TYR A 8 3.447 16.611 -13.531 1.00 10.00 C ATOM 106 CD1 TYR A 8 3.104 17.938 -13.869 1.00 10.00 C ATOM 107 CD2 TYR A 8 2.853 15.540 -14.230 1.00 10.00 C ATOM 108 CE1 TYR A 8 2.149 18.190 -14.874 1.00 10.00 C ATOM 109 CE2 TYR A 8 1.907 15.789 -15.243 1.00 10.00 C ATOM 110 CZ TYR A 8 1.544 17.116 -15.562 1.00 10.00 C ATOM 111 OH TYR A 8 0.622 17.349 -16.536 1.00 10.00 O ATOM 0 H TYR A 8 5.547 15.963 -9.874 1.00 10.00 H new ATOM 0 HA TYR A 8 4.459 18.216 -11.425 1.00 10.00 H new ATOM 0 HB2 TYR A 8 5.482 16.458 -12.929 1.00 10.00 H new ATOM 0 HB3 TYR A 8 4.422 15.268 -12.200 1.00 10.00 H new ATOM 0 HD1 TYR A 8 3.575 18.763 -13.355 1.00 10.00 H new ATOM 0 HD2 TYR A 8 3.125 14.523 -13.987 1.00 10.00 H new ATOM 0 HE1 TYR A 8 1.879 19.207 -15.118 1.00 10.00 H new ATOM 0 HE2 TYR A 8 1.459 14.964 -15.777 1.00 10.00 H new ATOM 0 HH TYR A 8 0.311 16.495 -16.903 1.00 10.00 H new ATOM 121 N LEU A 9 3.220 16.290 -9.228 1.00 10.00 N ATOM 122 CA LEU A 9 2.149 16.066 -8.261 1.00 10.00 C ATOM 123 C LEU A 9 1.384 17.343 -7.902 1.00 10.00 C ATOM 124 O LEU A 9 0.154 17.364 -7.917 1.00 10.00 O ATOM 125 CB LEU A 9 2.796 15.429 -7.012 1.00 10.00 C ATOM 126 CG LEU A 9 1.849 15.249 -5.814 1.00 10.00 C ATOM 127 CD1 LEU A 9 0.651 14.397 -6.213 1.00 10.00 C ATOM 128 CD2 LEU A 9 2.583 14.566 -4.662 1.00 10.00 C ATOM 0 H LEU A 9 4.096 15.862 -8.927 1.00 10.00 H new ATOM 0 HA LEU A 9 1.400 15.406 -8.698 1.00 10.00 H new ATOM 0 HB2 LEU A 9 3.200 14.455 -7.287 1.00 10.00 H new ATOM 0 HB3 LEU A 9 3.638 16.047 -6.701 1.00 10.00 H new ATOM 0 HG LEU A 9 1.506 16.234 -5.497 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -0.012 14.277 -5.356 1.00 10.00 H new ATOM 0 HD12 LEU A 9 0.111 14.886 -7.024 1.00 10.00 H new ATOM 0 HD13 LEU A 9 0.995 13.418 -6.545 1.00 10.00 H new ATOM 0 HD21 LEU A 9 1.903 14.444 -3.819 1.00 10.00 H new ATOM 0 HD22 LEU A 9 2.939 13.588 -4.986 1.00 10.00 H new ATOM 0 HD23 LEU A 9 3.432 15.178 -4.357 1.00 10.00 H new ATOM 140 N ASP A 10 2.112 18.422 -7.633 1.00 10.00 N ATOM 141 CA ASP A 10 1.567 19.728 -7.249 1.00 10.00 C ATOM 142 C ASP A 10 0.950 20.528 -8.426 1.00 10.00 C ATOM 143 O ASP A 10 0.794 21.749 -8.361 1.00 10.00 O ATOM 144 CB ASP A 10 2.643 20.525 -6.490 1.00 10.00 C ATOM 145 CG ASP A 10 3.803 21.004 -7.386 1.00 10.00 C ATOM 146 OD1 ASP A 10 4.459 20.155 -8.036 1.00 10.00 O ATOM 147 OD2 ASP A 10 4.093 22.226 -7.407 1.00 10.00 O ATOM 0 H ASP A 10 3.131 18.416 -7.677 1.00 10.00 H new ATOM 0 HA ASP A 10 0.721 19.548 -6.586 1.00 10.00 H new ATOM 0 HB2 ASP A 10 2.177 21.391 -6.019 1.00 10.00 H new ATOM 0 HB3 ASP A 10 3.046 19.905 -5.689 1.00 10.00 H new ATOM 152 N ASP A 11 0.584 19.827 -9.501 1.00 10.00 N ATOM 153 CA ASP A 11 -0.214 20.306 -10.635 1.00 10.00 C ATOM 154 C ASP A 11 -1.348 19.317 -10.943 1.00 10.00 C ATOM 155 O ASP A 11 -2.494 19.717 -11.149 1.00 10.00 O ATOM 156 CB ASP A 11 0.683 20.549 -11.857 1.00 10.00 C ATOM 157 CG ASP A 11 -0.107 21.195 -13.007 1.00 10.00 C ATOM 158 OD1 ASP A 11 -0.351 22.427 -12.955 1.00 10.00 O ATOM 159 OD2 ASP A 11 -0.478 20.484 -13.971 1.00 10.00 O ATOM 0 H ASP A 11 0.853 18.849 -9.611 1.00 10.00 H new ATOM 0 HA ASP A 11 -0.672 21.260 -10.373 1.00 10.00 H new ATOM 0 HB2 ASP A 11 1.516 21.194 -11.577 1.00 10.00 H new ATOM 0 HB3 ASP A 11 1.110 19.604 -12.192 1.00 10.00 H new ATOM 164 N VAL A 12 -1.046 18.019 -10.874 1.00 10.00 N ATOM 165 CA VAL A 12 -1.964 16.912 -11.150 1.00 10.00 C ATOM 166 C VAL A 12 -2.956 16.669 -10.015 1.00 10.00 C ATOM 167 O VAL A 12 -4.162 16.616 -10.242 1.00 10.00 O ATOM 168 CB VAL A 12 -1.131 15.646 -11.421 1.00 10.00 C ATOM 169 CG1 VAL A 12 -1.986 14.381 -11.553 1.00 10.00 C ATOM 170 CG2 VAL A 12 -0.322 15.850 -12.705 1.00 10.00 C ATOM 0 H VAL A 12 -0.114 17.697 -10.613 1.00 10.00 H new ATOM 0 HA VAL A 12 -2.563 17.172 -12.023 1.00 10.00 H new ATOM 0 HB VAL A 12 -0.476 15.497 -10.562 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -1.340 13.524 -11.743 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -2.541 14.219 -10.629 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -2.685 14.499 -12.381 1.00 10.00 H new ATOM 0 HG21 VAL A 12 0.272 14.959 -12.906 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -1.001 16.029 -13.538 1.00 10.00 H new ATOM 0 HG23 VAL A 12 0.340 16.708 -12.586 1.00 10.00 H new ATOM 180 N SER A 13 -2.451 16.550 -8.788 1.00 10.00 N ATOM 181 CA SER A 13 -3.243 16.475 -7.563 1.00 10.00 C ATOM 182 C SER A 13 -3.722 17.847 -7.131 1.00 10.00 C ATOM 183 O SER A 13 -4.865 18.012 -6.702 1.00 10.00 O ATOM 184 CB SER A 13 -2.390 15.880 -6.445 1.00 10.00 C ATOM 185 OG SER A 13 -3.154 15.695 -5.263 1.00 10.00 O ATOM 0 H SER A 13 -1.447 16.502 -8.614 1.00 10.00 H new ATOM 0 HA SER A 13 -4.112 15.848 -7.761 1.00 10.00 H new ATOM 0 HB2 SER A 13 -1.977 14.924 -6.768 1.00 10.00 H new ATOM 0 HB3 SER A 13 -1.546 16.538 -6.237 1.00 10.00 H new ATOM 0 HG SER A 13 -2.586 15.312 -4.563 1.00 10.00 H new ATOM 191 N ALA A 14 -2.870 18.862 -7.296 1.00 10.00 N ATOM 192 CA ALA A 14 -3.222 20.199 -6.859 1.00 10.00 C ATOM 193 C ALA A 14 -4.409 20.799 -7.644 1.00 10.00 C ATOM 194 O ALA A 14 -5.048 21.726 -7.146 1.00 10.00 O ATOM 195 CB ALA A 14 -2.017 21.128 -6.877 1.00 10.00 C ATOM 0 H ALA A 14 -1.947 18.778 -7.723 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.557 20.102 -5.826 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -2.318 22.121 -6.544 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.248 20.739 -6.210 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.621 21.190 -7.890 1.00 10.00 H new ATOM 201 N LYS A 15 -4.748 20.261 -8.834 1.00 10.00 N ATOM 202 CA LYS A 15 -5.982 20.597 -9.567 1.00 10.00 C ATOM 203 C LYS A 15 -7.218 20.476 -8.668 1.00 10.00 C ATOM 204 O LYS A 15 -8.113 21.318 -8.721 1.00 10.00 O ATOM 205 CB LYS A 15 -6.113 19.775 -10.871 1.00 10.00 C ATOM 206 CG LYS A 15 -6.854 18.430 -10.730 1.00 10.00 C ATOM 207 CD LYS A 15 -6.880 17.623 -12.035 1.00 10.00 C ATOM 208 CE LYS A 15 -7.814 18.262 -13.074 1.00 10.00 C ATOM 209 NZ LYS A 15 -7.956 17.412 -14.286 1.00 10.00 N ATOM 0 H LYS A 15 -4.166 19.575 -9.316 1.00 10.00 H new ATOM 0 HA LYS A 15 -5.915 21.643 -9.867 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -6.633 20.381 -11.613 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -5.114 19.581 -11.261 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -6.375 17.837 -9.951 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -7.877 18.617 -10.404 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.871 17.557 -12.443 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -7.208 16.604 -11.828 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -8.795 18.426 -12.628 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -7.426 19.240 -13.359 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -8.594 17.877 -14.963 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -7.023 17.276 -14.726 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -8.350 16.488 -14.018 1.00 10.00 H new ATOM 223 N PHE A 16 -7.222 19.459 -7.800 1.00 10.00 N ATOM 224 CA PHE A 16 -8.184 19.287 -6.730 1.00 10.00 C ATOM 225 C PHE A 16 -7.955 20.305 -5.612 1.00 10.00 C ATOM 226 O PHE A 16 -8.838 21.108 -5.334 1.00 10.00 O ATOM 227 CB PHE A 16 -8.181 17.827 -6.223 1.00 10.00 C ATOM 228 CG PHE A 16 -8.259 17.649 -4.713 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.430 18.006 -4.016 1.00 10.00 C ATOM 230 CD2 PHE A 16 -7.140 17.181 -3.998 1.00 10.00 C ATOM 231 CE1 PHE A 16 -9.484 17.895 -2.615 1.00 10.00 C ATOM 232 CE2 PHE A 16 -7.194 17.067 -2.597 1.00 10.00 C ATOM 233 CZ PHE A 16 -8.365 17.424 -1.905 1.00 10.00 C ATOM 0 H PHE A 16 -6.528 18.713 -7.832 1.00 10.00 H new ATOM 0 HA PHE A 16 -9.182 19.483 -7.122 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.023 17.304 -6.675 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -7.274 17.340 -6.581 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -10.290 18.367 -4.560 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -6.238 16.909 -4.526 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -10.384 18.171 -2.085 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -6.335 16.705 -2.052 1.00 10.00 H new ATOM 0 HZ PHE A 16 -8.405 17.337 -0.829 1.00 10.00 H new ATOM 243 N ASP A 17 -6.773 20.324 -4.999 1.00 10.00 N ATOM 244 CA ASP A 17 -6.539 21.095 -3.776 1.00 10.00 C ATOM 245 C ASP A 17 -6.641 22.625 -3.923 1.00 10.00 C ATOM 246 O ASP A 17 -6.944 23.311 -2.945 1.00 10.00 O ATOM 247 CB ASP A 17 -5.189 20.670 -3.180 1.00 10.00 C ATOM 248 CG ASP A 17 -4.935 21.273 -1.786 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.610 20.859 -0.813 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.024 22.127 -1.654 1.00 10.00 O ATOM 0 H ASP A 17 -5.956 19.811 -5.331 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.357 20.857 -3.096 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.153 19.583 -3.112 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.388 20.974 -3.854 1.00 10.00 H new ATOM 255 N THR A 18 -6.470 23.167 -5.134 1.00 10.00 N ATOM 256 CA THR A 18 -6.719 24.574 -5.453 1.00 10.00 C ATOM 257 C THR A 18 -8.090 24.806 -6.101 1.00 10.00 C ATOM 258 O THR A 18 -8.729 25.826 -5.843 1.00 10.00 O ATOM 259 CB THR A 18 -5.563 25.171 -6.273 1.00 10.00 C ATOM 260 OG1 THR A 18 -5.449 26.558 -6.025 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.719 25.011 -7.784 1.00 10.00 C ATOM 0 H THR A 18 -6.147 22.626 -5.936 1.00 10.00 H new ATOM 0 HA THR A 18 -6.755 25.115 -4.507 1.00 10.00 H new ATOM 0 HB THR A 18 -4.682 24.615 -5.953 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.709 26.925 -6.552 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.862 25.459 -8.288 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.774 23.951 -8.034 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.632 25.509 -8.110 1.00 10.00 H new ATOM 269 N GLY A 19 -8.602 23.851 -6.886 1.00 10.00 N ATOM 270 CA GLY A 19 -9.943 23.924 -7.483 1.00 10.00 C ATOM 271 C GLY A 19 -11.044 23.880 -6.423 1.00 10.00 C ATOM 272 O GLY A 19 -11.958 24.710 -6.435 1.00 10.00 O ATOM 0 H GLY A 19 -8.095 22.999 -7.127 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -10.033 24.843 -8.061 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -10.076 23.095 -8.179 1.00 10.00 H new ATOM 292 N ASP A 21 -10.464 24.791 -3.336 1.00 10.00 N ATOM 293 CA ASP A 21 -10.228 26.002 -2.581 1.00 10.00 C ATOM 294 C ASP A 21 -10.768 27.257 -3.264 1.00 10.00 C ATOM 295 O ASP A 21 -11.152 28.181 -2.560 1.00 10.00 O ATOM 296 CB ASP A 21 -8.763 26.061 -2.181 1.00 10.00 C ATOM 297 CG ASP A 21 -8.331 27.415 -1.594 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.553 27.644 -0.380 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.738 28.237 -2.334 1.00 10.00 O ATOM 0 HA ASP A 21 -10.811 25.972 -1.661 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.565 25.279 -1.448 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.149 25.842 -3.055 1.00 10.00 H new ATOM 304 N ASN A 22 -10.914 27.294 -4.591 1.00 10.00 N ATOM 305 CA ASN A 22 -11.655 28.373 -5.238 1.00 10.00 C ATOM 306 C ASN A 22 -13.144 28.294 -4.892 1.00 10.00 C ATOM 307 O ASN A 22 -13.843 29.309 -4.921 1.00 10.00 O ATOM 308 CB ASN A 22 -11.574 28.286 -6.765 1.00 10.00 C ATOM 309 CG ASN A 22 -10.305 28.876 -7.363 1.00 10.00 C ATOM 310 OD1 ASN A 22 -10.319 29.946 -7.955 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.168 28.232 -7.238 1.00 10.00 N ATOM 0 H ASN A 22 -10.533 26.596 -5.230 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.205 29.299 -4.880 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.648 27.240 -7.061 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.435 28.800 -7.192 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.313 28.625 -7.632 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -9.139 27.338 -6.747 1.00 10.00 H new ATOM 318 N LEU A 23 -13.641 27.096 -4.584 1.00 10.00 N ATOM 319 CA LEU A 23 -14.972 26.913 -4.058 1.00 10.00 C ATOM 320 C LEU A 23 -15.049 27.204 -2.557 1.00 10.00 C ATOM 321 O LEU A 23 -15.896 27.978 -2.125 1.00 10.00 O ATOM 322 CB LEU A 23 -15.550 25.564 -4.500 1.00 10.00 C ATOM 323 CG LEU A 23 -16.914 25.767 -5.191 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.900 26.508 -4.307 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.037 26.466 -6.542 1.00 10.00 C ATOM 0 H LEU A 23 -13.119 26.227 -4.697 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.631 27.663 -4.494 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.858 25.071 -5.183 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.666 24.910 -3.636 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.113 24.712 -5.379 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.845 26.627 -4.837 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.066 25.940 -3.391 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.498 27.490 -4.057 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.085 26.499 -6.840 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.650 27.482 -6.463 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.464 25.917 -7.289 1.00 10.00 H new ATOM 337 N GLN A 24 -14.103 26.683 -1.780 1.00 10.00 N ATOM 338 CA GLN A 24 -13.938 26.903 -0.349 1.00 10.00 C ATOM 339 C GLN A 24 -13.812 28.385 -0.012 1.00 10.00 C ATOM 340 O GLN A 24 -14.486 28.851 0.893 1.00 10.00 O ATOM 341 CB GLN A 24 -12.677 26.180 0.136 1.00 10.00 C ATOM 342 CG GLN A 24 -12.649 25.919 1.635 1.00 10.00 C ATOM 343 CD GLN A 24 -13.626 24.829 2.079 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.540 23.674 1.685 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.590 25.149 2.919 1.00 10.00 N ATOM 0 H GLN A 24 -13.389 26.059 -2.157 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.825 26.512 0.149 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.592 25.229 -0.389 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.804 26.773 -0.135 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.639 25.633 1.928 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.884 26.844 2.162 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.675 26.108 3.257 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.251 24.438 3.231 1.00 10.00 H new ATOM 354 N THR A 25 -12.977 29.139 -0.730 1.00 10.00 N ATOM 355 CA THR A 25 -12.790 30.578 -0.547 1.00 10.00 C ATOM 356 C THR A 25 -14.115 31.302 -0.738 1.00 10.00 C ATOM 357 O THR A 25 -14.552 32.058 0.120 1.00 10.00 O ATOM 358 CB THR A 25 -11.663 31.102 -1.456 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.185 32.348 -0.992 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.998 31.253 -2.933 1.00 10.00 C ATOM 0 H THR A 25 -12.397 28.754 -1.475 1.00 10.00 H new ATOM 0 HA THR A 25 -12.466 30.782 0.474 1.00 10.00 H new ATOM 0 HB THR A 25 -10.910 30.316 -1.393 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.468 32.664 -1.581 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.126 31.629 -3.467 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.284 30.284 -3.342 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.824 31.954 -3.049 1.00 10.00 H new ATOM 368 N GLN A 26 -14.842 30.926 -1.787 1.00 10.00 N ATOM 369 CA GLN A 26 -16.201 31.374 -2.066 1.00 10.00 C ATOM 370 C GLN A 26 -17.198 31.074 -0.935 1.00 10.00 C ATOM 371 O GLN A 26 -17.882 31.989 -0.472 1.00 10.00 O ATOM 372 CB GLN A 26 -16.662 30.751 -3.402 1.00 10.00 C ATOM 373 CG GLN A 26 -16.920 31.773 -4.519 1.00 10.00 C ATOM 374 CD GLN A 26 -15.707 32.634 -4.879 1.00 10.00 C ATOM 375 OE1 GLN A 26 -15.757 33.856 -4.851 1.00 10.00 O ATOM 376 NE2 GLN A 26 -14.585 32.052 -5.249 1.00 10.00 N ATOM 0 H GLN A 26 -14.487 30.278 -2.490 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.183 32.461 -2.141 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.905 30.044 -3.740 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.575 30.182 -3.228 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.251 31.242 -5.411 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -17.737 32.427 -4.215 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.524 31.034 -5.279 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -13.777 32.619 -5.506 1.00 10.00 H new ATOM 385 N VAL A 27 -17.285 29.826 -0.456 1.00 10.00 N ATOM 386 CA VAL A 27 -18.189 29.477 0.647 1.00 10.00 C ATOM 387 C VAL A 27 -17.775 30.175 1.931 1.00 10.00 C ATOM 388 O VAL A 27 -18.605 30.634 2.704 1.00 10.00 O ATOM 389 CB VAL A 27 -18.344 27.969 0.935 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.283 27.104 -0.324 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.404 27.313 1.950 1.00 10.00 C ATOM 0 H VAL A 27 -16.740 29.042 -0.815 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.163 29.823 0.300 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.334 27.991 1.391 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.398 26.055 -0.051 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.085 27.393 -1.003 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.322 27.247 -0.817 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.644 26.253 2.036 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.372 27.425 1.616 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.525 27.793 2.921 1.00 10.00 H new ATOM 401 N THR A 28 -16.471 30.281 2.161 1.00 10.00 N ATOM 402 CA THR A 28 -15.916 30.943 3.324 1.00 10.00 C ATOM 403 C THR A 28 -16.167 32.434 3.277 1.00 10.00 C ATOM 404 O THR A 28 -16.239 33.068 4.314 1.00 10.00 O ATOM 405 CB THR A 28 -14.414 30.760 3.456 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.042 29.398 3.437 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.935 31.322 4.779 1.00 10.00 C ATOM 0 H THR A 28 -15.763 29.902 1.532 1.00 10.00 H new ATOM 0 HA THR A 28 -16.416 30.479 4.174 1.00 10.00 H new ATOM 0 HB THR A 28 -13.965 31.279 2.609 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.879 29.116 2.513 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.857 31.186 4.863 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.171 32.385 4.830 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.432 30.800 5.597 1.00 10.00 H new ATOM 415 N GLU A 29 -16.304 33.030 2.102 1.00 10.00 N ATOM 416 CA GLU A 29 -16.660 34.426 2.011 1.00 10.00 C ATOM 417 C GLU A 29 -18.174 34.633 2.215 1.00 10.00 C ATOM 418 O GLU A 29 -18.587 35.658 2.747 1.00 10.00 O ATOM 419 CB GLU A 29 -16.113 35.043 0.742 1.00 10.00 C ATOM 420 CG GLU A 29 -14.592 35.230 0.845 1.00 10.00 C ATOM 421 CD GLU A 29 -14.025 36.000 -0.363 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.103 35.501 -1.511 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.496 37.123 -0.173 1.00 10.00 O ATOM 0 H GLU A 29 -16.173 32.565 1.204 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.184 34.967 2.829 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.350 34.406 -0.110 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.592 36.006 0.563 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.354 35.768 1.763 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.110 34.255 0.913 1.00 10.00 H new ATOM 430 N ALA A 30 -19.022 33.657 1.862 1.00 10.00 N ATOM 431 CA ALA A 30 -20.431 33.652 2.257 1.00 10.00 C ATOM 432 C ALA A 30 -20.526 33.542 3.786 1.00 10.00 C ATOM 433 O ALA A 30 -21.305 34.226 4.445 1.00 10.00 O ATOM 434 CB ALA A 30 -21.149 32.470 1.601 1.00 10.00 C ATOM 0 H ALA A 30 -18.749 32.853 1.297 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.906 34.577 1.930 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.198 32.471 1.898 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.079 32.558 0.517 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.682 31.538 1.920 1.00 10.00 H new ATOM 440 N LEU A 31 -19.655 32.712 4.353 1.00 10.00 N ATOM 441 CA LEU A 31 -19.409 32.597 5.771 1.00 10.00 C ATOM 442 C LEU A 31 -18.733 33.838 6.373 1.00 10.00 C ATOM 443 O LEU A 31 -18.990 34.140 7.522 1.00 10.00 O ATOM 444 CB LEU A 31 -18.548 31.361 5.984 1.00 10.00 C ATOM 445 CG LEU A 31 -18.366 31.018 7.458 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.562 30.222 7.962 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.063 30.253 7.579 1.00 10.00 C ATOM 0 H LEU A 31 -19.079 32.075 3.803 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.366 32.511 6.286 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -19.003 30.513 5.471 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.571 31.521 5.529 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.315 31.913 8.078 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.421 29.982 9.016 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.469 30.814 7.842 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.652 29.299 7.389 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.893 29.987 8.622 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.116 29.346 6.977 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.241 30.876 7.225 1.00 10.00 H new ATOM 459 N ASP A 32 -17.920 34.606 5.651 1.00 10.00 N ATOM 460 CA ASP A 32 -17.393 35.888 6.121 1.00 10.00 C ATOM 461 C ASP A 32 -18.565 36.829 6.437 1.00 10.00 C ATOM 462 O ASP A 32 -18.521 37.580 7.413 1.00 10.00 O ATOM 463 CB ASP A 32 -16.380 36.467 5.115 1.00 10.00 C ATOM 464 CG ASP A 32 -15.940 37.892 5.488 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.099 38.043 6.411 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.411 38.856 4.844 1.00 10.00 O ATOM 0 H ASP A 32 -17.605 34.355 4.714 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.832 35.752 7.046 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.505 35.819 5.069 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.823 36.475 4.119 1.00 10.00 H new ATOM 471 N LYS A 33 -19.667 36.691 5.683 1.00 10.00 N ATOM 472 CA LYS A 33 -20.939 37.323 5.967 1.00 10.00 C ATOM 473 C LYS A 33 -21.647 36.643 7.144 1.00 10.00 C ATOM 474 O LYS A 33 -22.202 37.306 8.016 1.00 10.00 O ATOM 475 CB LYS A 33 -21.842 37.386 4.736 1.00 10.00 C ATOM 476 CG LYS A 33 -21.258 37.512 3.326 1.00 10.00 C ATOM 477 CD LYS A 33 -20.050 38.436 3.161 1.00 10.00 C ATOM 478 CE LYS A 33 -19.738 38.600 1.674 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.581 39.509 1.463 1.00 10.00 N ATOM 0 H LYS A 33 -19.685 36.119 4.839 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.725 38.352 6.254 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.456 36.486 4.746 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.514 38.232 4.878 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.973 36.516 2.986 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.047 37.863 2.661 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.257 39.407 3.610 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.187 38.021 3.682 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.523 37.626 1.236 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.613 38.995 1.158 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.393 39.601 0.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.798 40.445 1.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.741 39.118 1.936 1.00 10.00 H new ATOM 493 N LEU A 34 -21.671 35.308 7.174 1.00 10.00 N ATOM 494 CA LEU A 34 -22.406 34.528 8.182 1.00 10.00 C ATOM 495 C LEU A 34 -21.727 34.589 9.561 1.00 10.00 C ATOM 496 O LEU A 34 -22.322 34.319 10.590 1.00 10.00 O ATOM 497 CB LEU A 34 -22.645 33.107 7.665 1.00 10.00 C ATOM 498 CG LEU A 34 -24.078 32.577 7.873 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.259 31.353 7.031 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.543 32.095 9.231 1.00 10.00 C ATOM 0 H LEU A 34 -21.177 34.730 6.494 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.387 34.976 8.340 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.413 33.079 6.600 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.947 32.432 8.161 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.648 33.478 7.646 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.268 30.964 7.166 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.105 31.607 5.982 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.535 30.595 7.331 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.579 31.764 9.164 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.917 31.264 9.556 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.468 32.910 9.951 1.00 10.00 H new ATOM 512 N ALA A 35 -20.453 34.941 9.594 1.00 10.00 N ATOM 513 CA ALA A 35 -19.699 35.272 10.781 1.00 10.00 C ATOM 514 C ALA A 35 -19.970 36.756 11.202 1.00 10.00 C ATOM 515 O ALA A 35 -19.809 37.105 12.373 1.00 10.00 O ATOM 516 CB ALA A 35 -18.237 34.907 10.473 1.00 10.00 C ATOM 0 H ALA A 35 -19.891 35.006 8.745 1.00 10.00 H new ATOM 0 HA ALA A 35 -19.999 34.708 11.664 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.615 35.136 11.338 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.167 33.843 10.247 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.891 35.483 9.615 1.00 10.00 H new ATOM 522 N ALA A 36 -20.401 37.622 10.260 1.00 10.00 N ATOM 523 CA ALA A 36 -20.763 39.045 10.435 1.00 10.00 C ATOM 524 C ALA A 36 -22.182 39.328 10.993 1.00 10.00 C ATOM 525 O ALA A 36 -22.328 40.071 11.969 1.00 10.00 O ATOM 526 CB ALA A 36 -20.544 39.789 9.099 1.00 10.00 C ATOM 0 H ALA A 36 -20.513 37.325 9.291 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.101 39.419 11.216 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.809 40.839 9.220 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.497 39.710 8.806 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.171 39.343 8.327 1.00 10.00 H new ATOM 532 N LYS A 37 -23.226 38.744 10.383 1.00 10.00 N ATOM 533 CA LYS A 37 -24.671 38.932 10.695 1.00 10.00 C ATOM 534 C LYS A 37 -25.418 37.580 10.581 1.00 10.00 C ATOM 535 O LYS A 37 -26.474 37.487 9.959 1.00 10.00 O ATOM 536 CB LYS A 37 -25.219 39.903 9.646 1.00 10.00 C ATOM 537 CG LYS A 37 -26.530 40.603 10.003 1.00 10.00 C ATOM 538 CD LYS A 37 -27.068 41.252 8.723 1.00 10.00 C ATOM 539 CE LYS A 37 -28.388 41.948 9.050 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.111 42.364 7.822 1.00 10.00 N ATOM 0 H LYS A 37 -23.087 38.089 9.614 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.806 39.313 11.707 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.463 40.665 9.455 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.364 39.357 8.714 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.250 39.889 10.403 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.365 41.355 10.775 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.348 41.970 8.331 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.219 40.498 7.950 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.018 41.276 9.633 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.194 42.822 9.671 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -29.930 42.949 8.083 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.472 42.914 7.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.438 41.520 7.309 1.00 10.00 H new ATOM 554 N PRO A 38 -24.885 36.518 11.190 1.00 10.00 N ATOM 555 CA PRO A 38 -25.260 35.138 10.961 1.00 10.00 C ATOM 556 C PRO A 38 -26.540 34.711 10.257 1.00 10.00 C ATOM 557 O PRO A 38 -26.521 34.522 9.044 1.00 10.00 O ATOM 558 CB PRO A 38 -24.850 34.318 12.179 1.00 10.00 C ATOM 559 CG PRO A 38 -24.024 35.273 13.047 1.00 10.00 C ATOM 560 CD PRO A 38 -23.897 36.571 12.249 1.00 10.00 C ATOM 0 HA PRO A 38 -24.692 34.894 10.063 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.723 33.951 12.719 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.265 33.445 11.888 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.513 35.451 14.005 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.042 34.852 13.264 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.066 37.436 12.891 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -22.894 36.672 11.835 1.00 10.00 H new ATOM 568 N SER A 39 -27.638 34.491 10.966 1.00 10.00 N ATOM 569 CA SER A 39 -28.815 33.871 10.382 1.00 10.00 C ATOM 570 C SER A 39 -29.626 34.806 9.475 1.00 10.00 C ATOM 571 O SER A 39 -30.741 34.446 9.095 1.00 10.00 O ATOM 572 CB SER A 39 -29.619 33.120 11.431 1.00 10.00 C ATOM 573 OG SER A 39 -30.109 33.993 12.441 1.00 10.00 O ATOM 0 H SER A 39 -27.737 34.735 11.952 1.00 10.00 H new ATOM 0 HA SER A 39 -28.469 33.112 9.681 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.456 32.611 10.953 1.00 10.00 H new ATOM 0 HB3 SER A 39 -28.995 32.351 11.886 1.00 10.00 H new ATOM 0 HG SER A 39 -30.622 33.478 13.098 1.00 10.00 H new ATOM 579 N ASP A 40 -29.086 35.994 9.142 1.00 10.00 N ATOM 580 CA ASP A 40 -29.593 36.885 8.089 1.00 10.00 C ATOM 581 C ASP A 40 -29.792 35.993 6.856 1.00 10.00 C ATOM 582 O ASP A 40 -28.818 35.544 6.259 1.00 10.00 O ATOM 583 CB ASP A 40 -28.639 38.058 7.816 1.00 10.00 C ATOM 584 CG ASP A 40 -29.089 38.865 6.586 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.753 38.489 5.440 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.791 39.886 6.776 1.00 10.00 O ATOM 0 H ASP A 40 -28.262 36.368 9.613 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.529 37.359 8.385 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.601 38.710 8.688 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.629 37.680 7.657 1.00 10.00 H new ATOM 591 N PRO A 41 -31.030 35.674 6.462 1.00 10.00 N ATOM 592 CA PRO A 41 -31.240 34.618 5.487 1.00 10.00 C ATOM 593 C PRO A 41 -30.731 34.902 4.084 1.00 10.00 C ATOM 594 O PRO A 41 -30.439 33.961 3.351 1.00 10.00 O ATOM 595 CB PRO A 41 -32.741 34.367 5.514 1.00 10.00 C ATOM 596 CG PRO A 41 -33.323 35.718 5.938 1.00 10.00 C ATOM 597 CD PRO A 41 -32.284 36.250 6.912 1.00 10.00 C ATOM 0 HA PRO A 41 -30.649 33.744 5.761 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.114 34.058 4.537 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.003 33.578 6.219 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.456 36.385 5.086 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.299 35.606 6.411 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.248 37.339 6.897 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.512 35.953 7.936 1.00 10.00 H new ATOM 605 N ALA A 42 -30.582 36.166 3.698 1.00 10.00 N ATOM 606 CA ALA A 42 -30.056 36.523 2.400 1.00 10.00 C ATOM 607 C ALA A 42 -28.549 36.204 2.270 1.00 10.00 C ATOM 608 O ALA A 42 -28.132 35.666 1.240 1.00 10.00 O ATOM 609 CB ALA A 42 -30.406 37.993 2.171 1.00 10.00 C ATOM 0 H ALA A 42 -30.825 36.966 4.282 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.509 35.920 1.613 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.028 38.310 1.199 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.489 38.118 2.197 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.952 38.601 2.953 1.00 10.00 H new ATOM 615 N LEU A 43 -27.740 36.442 3.315 1.00 10.00 N ATOM 616 CA LEU A 43 -26.347 35.992 3.373 1.00 10.00 C ATOM 617 C LEU A 43 -26.210 34.510 3.768 1.00 10.00 C ATOM 618 O LEU A 43 -25.401 33.798 3.171 1.00 10.00 O ATOM 619 CB LEU A 43 -25.538 36.952 4.265 1.00 10.00 C ATOM 620 CG LEU A 43 -25.711 36.785 5.774 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.807 35.718 6.333 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.215 37.974 6.577 1.00 10.00 C ATOM 0 H LEU A 43 -28.039 36.954 4.145 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.923 36.032 2.370 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.481 36.831 4.027 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.809 37.974 4.001 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.781 36.596 5.864 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.964 35.634 7.408 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.034 34.764 5.858 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.768 35.983 6.138 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.369 37.785 7.639 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.152 38.124 6.386 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.766 38.867 6.283 1.00 10.00 H new ATOM 634 N LEU A 44 -26.983 34.019 4.748 1.00 10.00 N ATOM 635 CA LEU A 44 -26.927 32.622 5.194 1.00 10.00 C ATOM 636 C LEU A 44 -27.336 31.729 4.040 1.00 10.00 C ATOM 637 O LEU A 44 -26.600 30.806 3.750 1.00 10.00 O ATOM 638 CB LEU A 44 -27.682 32.429 6.539 1.00 10.00 C ATOM 639 CG LEU A 44 -28.565 31.202 6.840 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.669 30.875 5.837 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.753 29.936 7.002 1.00 10.00 C ATOM 0 H LEU A 44 -27.666 34.583 5.254 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.912 32.317 5.450 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.928 32.467 7.325 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.318 33.305 6.665 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.045 31.519 7.766 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.213 29.991 6.170 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.356 31.718 5.765 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.227 30.683 4.859 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.420 29.100 7.213 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.202 29.737 6.083 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.051 30.057 7.827 1.00 10.00 H new ATOM 653 N ALA A 45 -28.391 31.999 3.274 1.00 10.00 N ATOM 654 CA ALA A 45 -28.733 31.099 2.188 1.00 10.00 C ATOM 655 C ALA A 45 -27.764 31.216 1.002 1.00 10.00 C ATOM 656 O ALA A 45 -27.662 30.276 0.216 1.00 10.00 O ATOM 657 CB ALA A 45 -30.207 31.215 1.834 1.00 10.00 C ATOM 0 H ALA A 45 -29.003 32.808 3.383 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.596 30.073 2.529 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.440 30.531 1.018 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.811 30.960 2.705 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.428 32.237 1.526 1.00 10.00 H new ATOM 663 N ALA A 46 -27.014 32.319 0.876 1.00 10.00 N ATOM 664 CA ALA A 46 -25.903 32.384 -0.063 1.00 10.00 C ATOM 665 C ALA A 46 -24.768 31.451 0.403 1.00 10.00 C ATOM 666 O ALA A 46 -24.155 30.774 -0.415 1.00 10.00 O ATOM 667 CB ALA A 46 -25.420 33.823 -0.248 1.00 10.00 C ATOM 0 H ALA A 46 -27.162 33.173 1.414 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.245 32.040 -1.039 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.590 33.840 -0.954 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.236 34.434 -0.632 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.089 34.222 0.711 1.00 10.00 H new ATOM 673 N TYR A 47 -24.533 31.339 1.717 1.00 10.00 N ATOM 674 CA TYR A 47 -23.656 30.326 2.301 1.00 10.00 C ATOM 675 C TYR A 47 -24.186 28.946 1.982 1.00 10.00 C ATOM 676 O TYR A 47 -23.459 28.158 1.394 1.00 10.00 O ATOM 677 CB TYR A 47 -23.519 30.483 3.814 1.00 10.00 C ATOM 678 CG TYR A 47 -22.585 29.481 4.484 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.251 29.341 4.068 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.090 28.604 5.467 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.422 28.349 4.626 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.265 27.617 6.041 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.926 27.483 5.620 1.00 10.00 C ATOM 684 OH TYR A 47 -20.137 26.519 6.168 1.00 10.00 O ATOM 0 H TYR A 47 -24.954 31.959 2.409 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.666 30.460 1.864 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.161 31.490 4.029 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.507 30.393 4.264 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.856 30.002 3.311 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.119 28.690 5.783 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.399 28.251 4.293 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.659 26.962 6.804 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.649 26.018 6.836 1.00 10.00 H new ATOM 694 N GLN A 48 -25.470 28.706 2.265 1.00 10.00 N ATOM 695 CA GLN A 48 -26.161 27.462 1.958 1.00 10.00 C ATOM 696 C GLN A 48 -26.064 27.093 0.465 1.00 10.00 C ATOM 697 O GLN A 48 -25.981 25.918 0.102 1.00 10.00 O ATOM 698 CB GLN A 48 -27.630 27.494 2.410 1.00 10.00 C ATOM 699 CG GLN A 48 -27.921 27.808 3.878 1.00 10.00 C ATOM 700 CD GLN A 48 -27.255 26.839 4.854 1.00 10.00 C ATOM 701 OE1 GLN A 48 -26.192 27.093 5.400 1.00 10.00 O ATOM 702 NE2 GLN A 48 -27.843 25.687 5.104 1.00 10.00 N ATOM 0 H GLN A 48 -26.068 29.392 2.726 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.650 26.684 2.525 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.151 28.232 1.801 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -28.071 26.524 2.182 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.584 28.821 4.098 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.999 27.789 4.038 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.731 25.460 4.656 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -27.410 25.022 5.745 1.00 10.00 H new ATOM 711 N SER A 49 -26.013 28.101 -0.407 1.00 10.00 N ATOM 712 CA SER A 49 -25.833 27.936 -1.841 1.00 10.00 C ATOM 713 C SER A 49 -24.407 27.562 -2.210 1.00 10.00 C ATOM 714 O SER A 49 -24.187 26.629 -2.974 1.00 10.00 O ATOM 715 CB SER A 49 -26.187 29.230 -2.604 1.00 10.00 C ATOM 716 OG SER A 49 -27.568 29.526 -2.480 1.00 10.00 O ATOM 0 H SER A 49 -26.098 29.077 -0.123 1.00 10.00 H new ATOM 0 HA SER A 49 -26.505 27.126 -2.126 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.596 30.060 -2.216 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.927 29.119 -3.657 1.00 10.00 H new ATOM 0 HG SER A 49 -27.761 29.810 -1.562 1.00 10.00 H new ATOM 722 N LYS A 50 -23.416 28.263 -1.660 1.00 10.00 N ATOM 723 CA LYS A 50 -21.999 28.035 -1.937 1.00 10.00 C ATOM 724 C LYS A 50 -21.510 26.713 -1.361 1.00 10.00 C ATOM 725 O LYS A 50 -20.741 26.020 -2.005 1.00 10.00 O ATOM 726 CB LYS A 50 -21.217 29.261 -1.447 1.00 10.00 C ATOM 727 CG LYS A 50 -21.609 30.488 -2.291 1.00 10.00 C ATOM 728 CD LYS A 50 -20.474 30.926 -3.203 1.00 10.00 C ATOM 729 CE LYS A 50 -20.134 29.877 -4.268 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.542 30.320 -5.631 1.00 10.00 N ATOM 0 H LYS A 50 -23.579 29.020 -0.996 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.831 27.930 -3.009 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.432 29.446 -0.394 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.145 29.078 -1.527 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.488 30.252 -2.891 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.885 31.311 -1.632 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.747 31.861 -3.693 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.588 31.128 -2.602 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.062 29.680 -4.255 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.633 28.939 -4.026 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.265 29.599 -6.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.573 30.451 -5.659 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -20.073 31.220 -5.859 1.00 10.00 H new ATOM 744 N LEU A 51 -22.039 26.333 -0.208 1.00 10.00 N ATOM 745 CA LEU A 51 -21.950 25.040 0.463 1.00 10.00 C ATOM 746 C LEU A 51 -22.394 23.928 -0.500 1.00 10.00 C ATOM 747 O LEU A 51 -21.730 22.898 -0.619 1.00 10.00 O ATOM 748 CB LEU A 51 -22.868 25.248 1.691 1.00 10.00 C ATOM 749 CG LEU A 51 -23.375 24.079 2.544 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.041 24.687 3.781 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.461 23.255 1.843 1.00 10.00 C ATOM 0 H LEU A 51 -22.599 26.988 0.338 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.953 24.726 0.772 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.339 25.921 2.366 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.750 25.781 1.335 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.526 23.430 2.759 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.419 23.889 4.420 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.311 25.279 4.333 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.868 25.326 3.472 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.780 22.443 2.496 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.314 23.895 1.617 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -24.063 22.841 0.917 1.00 10.00 H new ATOM 763 N SER A 52 -23.467 24.172 -1.255 1.00 10.00 N ATOM 764 CA SER A 52 -23.925 23.295 -2.322 1.00 10.00 C ATOM 765 C SER A 52 -23.030 23.347 -3.561 1.00 10.00 C ATOM 766 O SER A 52 -22.667 22.299 -4.084 1.00 10.00 O ATOM 767 CB SER A 52 -25.366 23.600 -2.725 1.00 10.00 C ATOM 768 OG SER A 52 -26.257 23.525 -1.621 1.00 10.00 O ATOM 0 H SER A 52 -24.049 25.001 -1.136 1.00 10.00 H new ATOM 0 HA SER A 52 -23.872 22.287 -1.911 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.416 24.597 -3.164 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.683 22.897 -3.495 1.00 10.00 H new ATOM 0 HG SER A 52 -26.141 24.315 -1.052 1.00 10.00 H new ATOM 774 N GLU A 53 -22.603 24.531 -4.011 1.00 10.00 N ATOM 775 CA GLU A 53 -21.694 24.686 -5.144 1.00 10.00 C ATOM 776 C GLU A 53 -20.336 24.010 -4.907 1.00 10.00 C ATOM 777 O GLU A 53 -19.690 23.535 -5.833 1.00 10.00 O ATOM 778 CB GLU A 53 -21.352 26.135 -5.455 1.00 10.00 C ATOM 779 CG GLU A 53 -22.329 27.150 -6.003 1.00 10.00 C ATOM 780 CD GLU A 53 -23.046 26.688 -7.286 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.407 26.679 -8.366 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.255 26.362 -7.225 1.00 10.00 O ATOM 0 H GLU A 53 -22.884 25.417 -3.592 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.245 24.226 -5.965 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.966 26.559 -4.528 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.522 26.104 -6.161 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.075 27.372 -5.240 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.797 28.079 -6.209 1.00 10.00 H new ATOM 789 N TYR A 54 -19.864 23.996 -3.666 1.00 10.00 N ATOM 790 CA TYR A 54 -18.651 23.307 -3.266 1.00 10.00 C ATOM 791 C TYR A 54 -18.869 21.793 -3.333 1.00 10.00 C ATOM 792 O TYR A 54 -17.989 21.073 -3.801 1.00 10.00 O ATOM 793 CB TYR A 54 -18.156 23.850 -1.923 1.00 10.00 C ATOM 794 CG TYR A 54 -17.573 22.825 -1.010 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.252 22.404 -1.212 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.362 22.275 0.009 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.710 21.412 -0.384 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.830 21.278 0.834 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.496 20.839 0.646 1.00 10.00 C ATOM 800 OH TYR A 54 -15.979 19.871 1.452 1.00 10.00 O ATOM 0 H TYR A 54 -20.328 24.476 -2.895 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.835 23.506 -3.961 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.405 24.617 -2.112 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.988 24.337 -1.415 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.656 22.841 -2.000 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.375 22.619 0.157 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.692 21.084 -0.531 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.436 20.843 1.615 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.656 19.592 2.104 1.00 10.00 H new ATOM 843 N TYR A 57 -18.552 21.293 -6.999 1.00 10.00 N ATOM 844 CA TYR A 57 -17.123 21.164 -7.239 1.00 10.00 C ATOM 845 C TYR A 57 -16.715 19.698 -6.941 1.00 10.00 C ATOM 846 O TYR A 57 -15.979 19.070 -7.697 1.00 10.00 O ATOM 847 CB TYR A 57 -16.296 22.230 -6.493 1.00 10.00 C ATOM 848 CG TYR A 57 -14.868 21.748 -6.398 1.00 10.00 C ATOM 849 CD1 TYR A 57 -13.994 21.922 -7.488 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.555 20.834 -5.377 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.837 21.126 -7.588 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.428 20.006 -5.495 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.575 20.142 -6.609 1.00 10.00 C ATOM 854 OH TYR A 57 -11.532 19.290 -6.770 1.00 10.00 O ATOM 0 HA TYR A 57 -16.896 21.370 -8.285 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.340 23.182 -7.022 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.706 22.399 -5.497 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.210 22.663 -8.244 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.183 20.769 -4.501 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.152 21.267 -8.411 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -13.215 19.268 -4.736 1.00 10.00 H new ATOM 0 HH TYR A 57 -11.375 19.142 -7.726 1.00 10.00 H new ATOM 864 N ARG A 58 -17.276 19.119 -5.871 1.00 10.00 N ATOM 865 CA ARG A 58 -17.135 17.726 -5.433 1.00 10.00 C ATOM 866 C ARG A 58 -17.822 16.707 -6.353 1.00 10.00 C ATOM 867 O ARG A 58 -17.313 15.606 -6.532 1.00 10.00 O ATOM 868 CB ARG A 58 -17.696 17.628 -3.996 1.00 10.00 C ATOM 869 CG ARG A 58 -16.747 17.031 -2.961 1.00 10.00 C ATOM 870 CD ARG A 58 -15.556 17.970 -2.692 1.00 10.00 C ATOM 871 NE ARG A 58 -14.276 17.245 -2.687 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.655 16.685 -1.669 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.129 16.696 -0.454 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.522 16.092 -1.890 1.00 10.00 N ATOM 0 H ARG A 58 -17.882 19.650 -5.246 1.00 10.00 H new ATOM 0 HA ARG A 58 -16.077 17.466 -5.470 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.983 18.627 -3.667 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.605 17.027 -4.019 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -17.286 16.848 -2.032 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -16.381 16.066 -3.313 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -15.529 18.749 -3.454 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.695 18.467 -1.732 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.808 17.165 -3.590 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -15.020 17.153 -0.258 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -13.609 16.248 0.300 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -12.134 16.068 -2.833 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.019 15.650 -1.121 1.00 10.00 H new ATOM 888 N ASN A 59 -18.950 17.070 -6.964 1.00 10.00 N ATOM 889 CA ASN A 59 -19.664 16.282 -7.971 1.00 10.00 C ATOM 890 C ASN A 59 -18.822 16.141 -9.250 1.00 10.00 C ATOM 891 O ASN A 59 -18.671 15.063 -9.825 1.00 10.00 O ATOM 892 CB ASN A 59 -21.030 16.932 -8.274 1.00 10.00 C ATOM 893 CG ASN A 59 -21.910 16.015 -9.108 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.953 16.097 -10.327 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.628 15.108 -8.485 1.00 10.00 N ATOM 0 H ASN A 59 -19.411 17.958 -6.763 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.837 15.280 -7.578 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.536 17.172 -7.339 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.877 17.872 -8.804 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.221 14.472 -9.018 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.592 15.039 -7.468 1.00 10.00 H new ATOM 902 N ALA A 60 -18.201 17.246 -9.649 1.00 10.00 N ATOM 903 CA ALA A 60 -17.199 17.314 -10.689 1.00 10.00 C ATOM 904 C ALA A 60 -15.942 16.532 -10.297 1.00 10.00 C ATOM 905 O ALA A 60 -15.487 15.694 -11.073 1.00 10.00 O ATOM 906 CB ALA A 60 -16.961 18.803 -10.956 1.00 10.00 C ATOM 0 H ALA A 60 -18.397 18.156 -9.233 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.525 16.836 -11.613 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.209 18.917 -11.737 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -17.893 19.268 -11.278 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.612 19.285 -10.043 1.00 10.00 H new ATOM 912 N GLN A 61 -15.485 16.661 -9.047 1.00 10.00 N ATOM 913 CA GLN A 61 -14.441 15.851 -8.415 1.00 10.00 C ATOM 914 C GLN A 61 -14.937 14.497 -7.874 1.00 10.00 C ATOM 915 O GLN A 61 -14.583 14.008 -6.800 1.00 10.00 O ATOM 916 CB GLN A 61 -13.647 16.679 -7.431 1.00 10.00 C ATOM 917 CG GLN A 61 -12.266 16.046 -7.135 1.00 10.00 C ATOM 918 CD GLN A 61 -11.840 16.004 -5.666 1.00 10.00 C ATOM 919 OE1 GLN A 61 -12.448 16.556 -4.756 1.00 10.00 O ATOM 920 NE2 GLN A 61 -10.757 15.314 -5.373 1.00 10.00 N ATOM 0 H GLN A 61 -15.854 17.372 -8.416 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.744 15.548 -9.196 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.509 17.684 -7.829 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.209 16.778 -6.502 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.268 15.026 -7.520 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.510 16.597 -7.695 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -10.235 14.846 -6.114 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -10.441 15.248 -4.406 1.00 10.00 H new ATOM 929 N SER A 62 -15.779 13.919 -8.715 1.00 10.00 N ATOM 930 CA SER A 62 -16.314 12.567 -8.740 1.00 10.00 C ATOM 931 C SER A 62 -16.375 12.115 -10.206 1.00 10.00 C ATOM 932 O SER A 62 -15.873 11.051 -10.556 1.00 10.00 O ATOM 933 CB SER A 62 -17.647 12.491 -7.999 1.00 10.00 C ATOM 934 OG SER A 62 -18.200 11.186 -8.047 1.00 10.00 O ATOM 0 H SER A 62 -16.151 14.458 -9.497 1.00 10.00 H new ATOM 0 HA SER A 62 -15.668 11.872 -8.203 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.503 12.787 -6.960 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.349 13.200 -8.438 1.00 10.00 H new ATOM 0 HG SER A 62 -19.051 11.173 -7.562 1.00 10.00 H new ATOM 940 N ASN A 63 -16.798 13.001 -11.111 1.00 10.00 N ATOM 941 CA ASN A 63 -16.837 12.797 -12.559 1.00 10.00 C ATOM 942 C ASN A 63 -15.471 12.525 -13.203 1.00 10.00 C ATOM 943 O ASN A 63 -15.290 11.615 -14.003 1.00 10.00 O ATOM 944 CB ASN A 63 -17.483 14.053 -13.174 1.00 10.00 C ATOM 945 CG ASN A 63 -18.121 13.789 -14.532 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.743 12.763 -14.773 1.00 10.00 O ATOM 947 ND2 ASN A 63 -17.988 14.701 -15.468 1.00 10.00 N ATOM 0 H ASN A 63 -17.139 13.923 -10.840 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.415 11.894 -12.758 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.241 14.437 -12.491 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -16.726 14.830 -13.279 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -18.402 14.551 -16.388 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -17.471 15.559 -15.275 1.00 10.00 H new ATOM 954 N THR A 64 -14.495 13.329 -12.812 1.00 10.00 N ATOM 955 CA THR A 64 -13.077 13.246 -13.196 1.00 10.00 C ATOM 956 C THR A 64 -12.327 12.052 -12.645 1.00 10.00 C ATOM 957 O THR A 64 -11.509 11.418 -13.292 1.00 10.00 O ATOM 958 CB THR A 64 -12.390 14.521 -12.740 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.030 14.592 -13.095 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.545 14.733 -11.234 1.00 10.00 C ATOM 0 H THR A 64 -14.673 14.108 -12.179 1.00 10.00 H new ATOM 0 HA THR A 64 -13.058 13.120 -14.279 1.00 10.00 H new ATOM 0 HB THR A 64 -12.899 15.324 -13.274 1.00 10.00 H new ATOM 0 HG1 THR A 64 -10.512 13.983 -12.528 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.041 15.655 -10.943 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.603 14.803 -10.983 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.101 13.892 -10.701 1.00 10.00 H new ATOM 968 N VAL A 65 -12.673 11.692 -11.433 1.00 10.00 N ATOM 969 CA VAL A 65 -12.242 10.508 -10.708 1.00 10.00 C ATOM 970 C VAL A 65 -12.653 9.253 -11.490 1.00 10.00 C ATOM 971 O VAL A 65 -11.840 8.379 -11.788 1.00 10.00 O ATOM 972 CB VAL A 65 -12.895 10.567 -9.323 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.116 9.711 -8.333 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.012 12.001 -8.773 1.00 10.00 C ATOM 0 H VAL A 65 -13.314 12.260 -10.879 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.159 10.469 -10.594 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.906 10.179 -9.444 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.592 9.763 -7.354 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.105 8.677 -8.677 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.093 10.080 -8.259 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.482 11.976 -7.790 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.018 12.441 -8.689 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.619 12.602 -9.450 1.00 10.00 H new ATOM 984 N LYS A 66 -13.908 9.265 -11.953 1.00 10.00 N ATOM 985 CA LYS A 66 -14.552 8.347 -12.900 1.00 10.00 C ATOM 986 C LYS A 66 -14.020 8.452 -14.349 1.00 10.00 C ATOM 987 O LYS A 66 -14.483 7.726 -15.228 1.00 10.00 O ATOM 988 CB LYS A 66 -16.064 8.615 -12.810 1.00 10.00 C ATOM 989 CG LYS A 66 -16.680 8.063 -11.515 1.00 10.00 C ATOM 990 CD LYS A 66 -18.028 8.738 -11.229 1.00 10.00 C ATOM 991 CE LYS A 66 -18.598 8.220 -9.905 1.00 10.00 C ATOM 992 NZ LYS A 66 -19.750 9.040 -9.453 1.00 10.00 N ATOM 0 H LYS A 66 -14.560 9.986 -11.645 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.315 7.320 -12.624 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.244 9.689 -12.866 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.562 8.163 -13.668 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -16.818 6.985 -11.602 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.999 8.231 -10.681 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -17.901 9.820 -11.182 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -18.726 8.534 -12.041 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -18.912 7.183 -10.023 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -17.819 8.232 -9.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -20.362 8.468 -8.837 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -19.402 9.866 -8.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -20.293 9.361 -10.280 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.001 9.285 -14.589 1.00 10.00 N ATOM 1007 CA VAL A 67 -12.256 9.493 -15.837 1.00 10.00 C ATOM 1008 C VAL A 67 -10.793 9.096 -15.690 1.00 10.00 C ATOM 1009 O VAL A 67 -10.212 8.514 -16.600 1.00 10.00 O ATOM 1010 CB VAL A 67 -12.447 10.941 -16.283 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -11.396 11.454 -17.243 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -13.846 11.057 -16.846 1.00 10.00 C ATOM 0 H VAL A 67 -12.644 9.886 -13.846 1.00 10.00 H new ATOM 0 HA VAL A 67 -12.648 8.841 -16.618 1.00 10.00 H new ATOM 0 HB VAL A 67 -12.319 11.588 -15.415 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -11.615 12.490 -17.503 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -10.415 11.398 -16.772 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -11.400 10.845 -18.147 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -14.021 12.081 -17.177 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -13.955 10.379 -17.692 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -14.571 10.795 -16.075 1.00 10.00 H new ATOM 1022 N PHE A 68 -10.193 9.327 -14.527 1.00 10.00 N ATOM 1023 CA PHE A 68 -8.910 8.745 -14.170 1.00 10.00 C ATOM 1024 C PHE A 68 -9.124 7.215 -14.071 1.00 10.00 C ATOM 1025 O PHE A 68 -8.203 6.430 -14.233 1.00 10.00 O ATOM 1026 CB PHE A 68 -8.425 9.363 -12.858 1.00 10.00 C ATOM 1027 CG PHE A 68 -7.919 10.794 -12.965 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -6.739 11.077 -13.681 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -8.608 11.846 -12.330 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -6.265 12.399 -13.773 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.149 13.170 -12.440 1.00 10.00 C ATOM 1032 CZ PHE A 68 -6.971 13.447 -13.157 1.00 10.00 C ATOM 0 H PHE A 68 -10.588 9.927 -13.803 1.00 10.00 H new ATOM 0 HA PHE A 68 -8.138 8.947 -14.912 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.243 9.337 -12.138 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.626 8.741 -12.455 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -6.196 10.276 -14.161 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.496 11.633 -11.754 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -5.357 12.609 -14.318 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -8.700 13.974 -11.975 1.00 10.00 H new ATOM 0 HZ PHE A 68 -6.610 14.462 -13.234 1.00 10.00 H new