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= 0.385 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -164:sc= 0.418 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.42 K(o=2.1,f=-3) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -167:sc= 0.714 (180deg=-0.0828) 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 -130:sc= 0.847 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= 0 K(o=0,f=-0.72) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.19) 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 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 77:sc= 1.18 USER MOD Single : A 52 SER OG : rot 75:sc= 0.536 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0975 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 61 GLN : amide:sc= 0.752 K(o=0.75,f=-7.7!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 64 THR OG1 : rot -66:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -11.254 3.973 0.767 1.00 10.00 N ATOM 59 CA TRP A 5 -10.912 5.372 0.480 1.00 10.00 C ATOM 60 C TRP A 5 -10.179 6.107 1.606 1.00 10.00 C ATOM 61 O TRP A 5 -9.296 6.915 1.330 1.00 10.00 O ATOM 62 CB TRP A 5 -12.202 6.113 0.093 1.00 10.00 C ATOM 63 CG TRP A 5 -13.310 6.050 1.106 1.00 10.00 C ATOM 64 CD1 TRP A 5 -14.302 5.130 1.119 1.00 10.00 C ATOM 65 CD2 TRP A 5 -13.537 6.895 2.281 1.00 10.00 C ATOM 66 NE1 TRP A 5 -15.111 5.330 2.221 1.00 10.00 N ATOM 67 CE2 TRP A 5 -14.676 6.393 2.983 1.00 10.00 C ATOM 68 CE3 TRP A 5 -12.887 8.021 2.839 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -15.135 6.964 4.179 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -13.339 8.598 4.042 1.00 10.00 C ATOM 71 CH2 TRP A 5 -14.458 8.073 4.713 1.00 10.00 C ATOM 0 HA TRP A 5 -10.195 5.361 -0.341 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -11.959 7.160 -0.090 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -12.569 5.702 -0.848 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -14.441 4.356 0.379 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -15.928 4.762 2.443 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -12.031 8.445 2.335 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -15.998 6.556 4.683 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -12.821 9.452 4.453 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -14.796 8.521 5.636 1.00 10.00 H new ATOM 82 N SER A 6 -10.474 5.806 2.868 1.00 10.00 N ATOM 83 CA SER A 6 -9.809 6.400 4.039 1.00 10.00 C ATOM 84 C SER A 6 -8.304 6.086 4.133 1.00 10.00 C ATOM 85 O SER A 6 -7.561 6.832 4.776 1.00 10.00 O ATOM 86 CB SER A 6 -10.529 5.956 5.316 1.00 10.00 C ATOM 87 OG SER A 6 -10.555 4.539 5.415 1.00 10.00 O ATOM 0 H SER A 6 -11.196 5.129 3.117 1.00 10.00 H new ATOM 0 HA SER A 6 -9.876 7.481 3.920 1.00 10.00 H new ATOM 0 HB2 SER A 6 -10.026 6.377 6.187 1.00 10.00 H new ATOM 0 HB3 SER A 6 -11.548 6.344 5.318 1.00 10.00 H new ATOM 0 HG SER A 6 -11.018 4.277 6.238 1.00 10.00 H new ATOM 93 N GLY A 7 -7.826 5.043 3.440 1.00 10.00 N ATOM 94 CA GLY A 7 -6.405 4.702 3.283 1.00 10.00 C ATOM 95 C GLY A 7 -5.694 5.433 2.131 1.00 10.00 C ATOM 96 O GLY A 7 -4.483 5.270 1.961 1.00 10.00 O ATOM 0 H GLY A 7 -8.441 4.389 2.955 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -5.886 4.928 4.214 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -6.318 3.627 3.122 1.00 10.00 H new ATOM 100 N TYR A 8 -6.424 6.247 1.357 1.00 10.00 N ATOM 101 CA TYR A 8 -5.980 6.939 0.147 1.00 10.00 C ATOM 102 C TYR A 8 -6.398 8.422 0.086 1.00 10.00 C ATOM 103 O TYR A 8 -5.897 9.180 -0.747 1.00 10.00 O ATOM 104 CB TYR A 8 -6.525 6.185 -1.079 1.00 10.00 C ATOM 105 CG TYR A 8 -6.105 4.729 -1.172 1.00 10.00 C ATOM 106 CD1 TYR A 8 -4.819 4.393 -1.640 1.00 10.00 C ATOM 107 CD2 TYR A 8 -6.993 3.712 -0.772 1.00 10.00 C ATOM 108 CE1 TYR A 8 -4.419 3.044 -1.703 1.00 10.00 C ATOM 109 CE2 TYR A 8 -6.596 2.362 -0.827 1.00 10.00 C ATOM 110 CZ TYR A 8 -5.307 2.023 -1.293 1.00 10.00 C ATOM 111 OH TYR A 8 -4.930 0.717 -1.342 1.00 10.00 O ATOM 0 H TYR A 8 -7.399 6.450 1.575 1.00 10.00 H new ATOM 0 HA TYR A 8 -4.890 6.940 0.158 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -7.614 6.234 -1.063 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -6.196 6.701 -1.981 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -4.138 5.172 -1.951 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -7.982 3.968 -0.422 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -3.434 2.789 -2.065 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -7.278 1.586 -0.513 1.00 10.00 H new ATOM 0 HH TYR A 8 -5.664 0.152 -1.022 1.00 10.00 H new ATOM 121 N LEU A 9 -7.311 8.850 0.965 1.00 10.00 N ATOM 122 CA LEU A 9 -7.982 10.150 0.934 1.00 10.00 C ATOM 123 C LEU A 9 -7.020 11.334 0.824 1.00 10.00 C ATOM 124 O LEU A 9 -7.174 12.182 -0.053 1.00 10.00 O ATOM 125 CB LEU A 9 -8.876 10.258 2.189 1.00 10.00 C ATOM 126 CG LEU A 9 -9.532 11.638 2.372 1.00 10.00 C ATOM 127 CD1 LEU A 9 -10.442 11.989 1.201 1.00 10.00 C ATOM 128 CD2 LEU A 9 -10.357 11.676 3.657 1.00 10.00 C ATOM 0 H LEU A 9 -7.614 8.274 1.750 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.587 10.203 0.029 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -9.657 9.500 2.132 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -8.276 10.032 3.071 1.00 10.00 H new ATOM 0 HG LEU A 9 -8.724 12.367 2.424 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -10.887 12.970 1.367 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -9.860 12.006 0.280 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -11.232 11.242 1.117 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -10.812 12.660 3.768 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -11.139 10.918 3.610 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -9.710 11.477 4.511 1.00 10.00 H new ATOM 140 N ASP A 10 -6.005 11.373 1.683 1.00 10.00 N ATOM 141 CA ASP A 10 -5.050 12.485 1.779 1.00 10.00 C ATOM 142 C ASP A 10 -3.980 12.482 0.654 1.00 10.00 C ATOM 143 O ASP A 10 -2.947 13.147 0.740 1.00 10.00 O ATOM 144 CB ASP A 10 -4.434 12.466 3.189 1.00 10.00 C ATOM 145 CG ASP A 10 -3.691 13.766 3.551 1.00 10.00 C ATOM 146 OD1 ASP A 10 -4.283 14.864 3.416 1.00 10.00 O ATOM 147 OD2 ASP A 10 -2.535 13.691 4.037 1.00 10.00 O ATOM 0 H ASP A 10 -5.815 10.621 2.346 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.584 13.423 1.625 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -5.224 12.292 3.920 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -3.741 11.628 3.263 1.00 10.00 H new ATOM 152 N ASP A 11 -4.239 11.732 -0.419 1.00 10.00 N ATOM 153 CA ASP A 11 -3.507 11.730 -1.691 1.00 10.00 C ATOM 154 C ASP A 11 -4.473 11.967 -2.861 1.00 10.00 C ATOM 155 O ASP A 11 -4.194 12.758 -3.763 1.00 10.00 O ATOM 156 CB ASP A 11 -2.730 10.415 -1.843 1.00 10.00 C ATOM 157 CG ASP A 11 -1.906 10.392 -3.141 1.00 10.00 C ATOM 158 OD1 ASP A 11 -0.841 11.051 -3.194 1.00 10.00 O ATOM 159 OD2 ASP A 11 -2.313 9.702 -4.106 1.00 10.00 O ATOM 0 H ASP A 11 -5.013 11.068 -0.425 1.00 10.00 H new ATOM 0 HA ASP A 11 -2.784 12.546 -1.698 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -2.067 10.282 -0.988 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -3.427 9.577 -1.839 1.00 10.00 H new ATOM 164 N VAL A 12 -5.651 11.346 -2.797 1.00 10.00 N ATOM 165 CA VAL A 12 -6.692 11.372 -3.820 1.00 10.00 C ATOM 166 C VAL A 12 -7.505 12.657 -3.791 1.00 10.00 C ATOM 167 O VAL A 12 -7.576 13.363 -4.792 1.00 10.00 O ATOM 168 CB VAL A 12 -7.594 10.139 -3.619 1.00 10.00 C ATOM 169 CG1 VAL A 12 -8.873 10.173 -4.463 1.00 10.00 C ATOM 170 CG2 VAL A 12 -6.789 8.881 -3.969 1.00 10.00 C ATOM 0 H VAL A 12 -5.917 10.783 -1.989 1.00 10.00 H new ATOM 0 HA VAL A 12 -6.222 11.341 -4.803 1.00 10.00 H new ATOM 0 HB VAL A 12 -7.910 10.136 -2.576 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -9.460 9.275 -4.271 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -9.460 11.053 -4.199 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -8.610 10.216 -5.520 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -7.414 7.999 -3.832 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -6.462 8.936 -5.007 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -5.918 8.813 -3.317 1.00 10.00 H new ATOM 180 N SER A 13 -8.083 12.994 -2.639 1.00 10.00 N ATOM 181 CA SER A 13 -8.734 14.282 -2.407 1.00 10.00 C ATOM 182 C SER A 13 -7.717 15.412 -2.387 1.00 10.00 C ATOM 183 O SER A 13 -7.976 16.511 -2.874 1.00 10.00 O ATOM 184 CB SER A 13 -9.495 14.261 -1.085 1.00 10.00 C ATOM 185 OG SER A 13 -10.212 15.473 -0.882 1.00 10.00 O ATOM 0 H SER A 13 -8.113 12.372 -1.831 1.00 10.00 H new ATOM 0 HA SER A 13 -9.433 14.454 -3.226 1.00 10.00 H new ATOM 0 HB2 SER A 13 -10.188 13.420 -1.075 1.00 10.00 H new ATOM 0 HB3 SER A 13 -8.796 14.107 -0.263 1.00 10.00 H new ATOM 0 HG SER A 13 -10.017 15.822 0.013 1.00 10.00 H new ATOM 191 N ALA A 14 -6.533 15.136 -1.841 1.00 10.00 N ATOM 192 CA ALA A 14 -5.518 16.150 -1.636 1.00 10.00 C ATOM 193 C ALA A 14 -4.990 16.769 -2.947 1.00 10.00 C ATOM 194 O ALA A 14 -4.627 17.946 -2.972 1.00 10.00 O ATOM 195 CB ALA A 14 -4.383 15.535 -0.835 1.00 10.00 C ATOM 0 H ALA A 14 -6.258 14.204 -1.532 1.00 10.00 H new ATOM 0 HA ALA A 14 -5.975 16.976 -1.091 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -3.607 16.283 -0.670 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -4.763 15.187 0.126 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -3.964 14.693 -1.386 1.00 10.00 H new ATOM 201 N LYS A 15 -4.997 16.009 -4.057 1.00 10.00 N ATOM 202 CA LYS A 15 -4.653 16.492 -5.408 1.00 10.00 C ATOM 203 C LYS A 15 -5.503 17.695 -5.864 1.00 10.00 C ATOM 204 O LYS A 15 -5.066 18.502 -6.685 1.00 10.00 O ATOM 205 CB LYS A 15 -4.674 15.313 -6.404 1.00 10.00 C ATOM 206 CG LYS A 15 -5.975 15.138 -7.200 1.00 10.00 C ATOM 207 CD LYS A 15 -5.969 13.854 -8.042 1.00 10.00 C ATOM 208 CE LYS A 15 -4.954 13.924 -9.192 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.030 12.724 -10.065 1.00 10.00 N ATOM 0 H LYS A 15 -5.247 15.020 -4.040 1.00 10.00 H new ATOM 0 HA LYS A 15 -3.638 16.888 -5.376 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -3.853 15.442 -7.109 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -4.480 14.393 -5.853 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -6.820 15.116 -6.512 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.118 15.999 -7.853 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.734 13.003 -7.403 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.966 13.682 -8.448 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -5.138 14.819 -9.786 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -3.947 14.014 -8.784 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -4.330 12.806 -10.830 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.829 11.872 -9.503 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -5.983 12.652 -10.474 1.00 10.00 H new ATOM 223 N PHE A 16 -6.700 17.815 -5.290 1.00 10.00 N ATOM 224 CA PHE A 16 -7.713 18.836 -5.523 1.00 10.00 C ATOM 225 C PHE A 16 -7.714 19.984 -4.503 1.00 10.00 C ATOM 226 O PHE A 16 -8.467 20.940 -4.676 1.00 10.00 O ATOM 227 CB PHE A 16 -9.081 18.145 -5.561 1.00 10.00 C ATOM 228 CG PHE A 16 -9.192 17.031 -6.584 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.166 17.322 -7.962 1.00 10.00 C ATOM 230 CD2 PHE A 16 -9.329 15.697 -6.158 1.00 10.00 C ATOM 231 CE1 PHE A 16 -9.311 16.289 -8.907 1.00 10.00 C ATOM 232 CE2 PHE A 16 -9.489 14.666 -7.101 1.00 10.00 C ATOM 233 CZ PHE A 16 -9.485 14.962 -8.476 1.00 10.00 C ATOM 0 H PHE A 16 -7.009 17.140 -4.590 1.00 10.00 H new ATOM 0 HA PHE A 16 -7.478 19.316 -6.473 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.296 17.737 -4.573 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -9.846 18.892 -5.771 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.034 18.341 -8.295 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -9.311 15.464 -5.104 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -9.289 16.516 -9.963 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -9.615 13.646 -6.769 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.615 14.171 -9.200 1.00 10.00 H new ATOM 243 N ASP A 17 -6.872 19.934 -3.465 1.00 10.00 N ATOM 244 CA ASP A 17 -6.911 20.843 -2.310 1.00 10.00 C ATOM 245 C ASP A 17 -6.757 22.348 -2.632 1.00 10.00 C ATOM 246 O ASP A 17 -7.136 23.186 -1.816 1.00 10.00 O ATOM 247 CB ASP A 17 -5.865 20.381 -1.285 1.00 10.00 C ATOM 248 CG ASP A 17 -5.952 21.134 0.055 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.944 20.934 0.797 1.00 10.00 O ATOM 250 OD2 ASP A 17 -5.003 21.883 0.394 1.00 10.00 O ATOM 0 H ASP A 17 -6.124 19.243 -3.402 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.920 20.776 -1.902 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.991 19.314 -1.103 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.869 20.517 -1.706 1.00 10.00 H new ATOM 255 N THR A 18 -6.263 22.708 -3.822 1.00 10.00 N ATOM 256 CA THR A 18 -6.142 24.091 -4.302 1.00 10.00 C ATOM 257 C THR A 18 -7.285 24.541 -5.237 1.00 10.00 C ATOM 258 O THR A 18 -7.618 25.726 -5.278 1.00 10.00 O ATOM 259 CB THR A 18 -4.758 24.304 -4.933 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.448 25.678 -5.018 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.649 23.702 -6.332 1.00 10.00 C ATOM 0 H THR A 18 -5.926 22.024 -4.499 1.00 10.00 H new ATOM 0 HA THR A 18 -6.241 24.737 -3.430 1.00 10.00 H new ATOM 0 HB THR A 18 -4.052 23.794 -4.278 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.562 25.789 -5.421 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.650 23.883 -6.729 1.00 10.00 H new ATOM 0 HG22 THR A 18 -4.831 22.628 -6.281 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.388 24.165 -6.986 1.00 10.00 H new ATOM 269 N GLY A 19 -7.946 23.608 -5.940 1.00 10.00 N ATOM 270 CA GLY A 19 -9.113 23.897 -6.797 1.00 10.00 C ATOM 271 C GLY A 19 -10.417 23.863 -6.005 1.00 10.00 C ATOM 272 O GLY A 19 -11.263 24.742 -6.155 1.00 10.00 O ATOM 0 H GLY A 19 -7.685 22.622 -5.931 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -8.992 24.878 -7.258 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.160 23.168 -7.606 1.00 10.00 H new ATOM 292 N ASP A 21 -10.441 24.666 -3.011 1.00 10.00 N ATOM 293 CA ASP A 21 -10.239 25.901 -2.294 1.00 10.00 C ATOM 294 C ASP A 21 -10.724 27.141 -3.044 1.00 10.00 C ATOM 295 O ASP A 21 -11.061 28.119 -2.391 1.00 10.00 O ATOM 296 CB ASP A 21 -8.798 25.939 -1.810 1.00 10.00 C ATOM 297 CG ASP A 21 -8.374 27.289 -1.208 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.704 27.551 -0.027 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.681 28.073 -1.899 1.00 10.00 O ATOM 0 HA ASP A 21 -10.883 25.927 -1.415 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.656 25.159 -1.062 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.139 25.703 -2.645 1.00 10.00 H new ATOM 304 N ASN A 22 -10.881 27.114 -4.373 1.00 10.00 N ATOM 305 CA ASN A 22 -11.576 28.190 -5.074 1.00 10.00 C ATOM 306 C ASN A 22 -13.078 28.172 -4.760 1.00 10.00 C ATOM 307 O ASN A 22 -13.754 29.200 -4.853 1.00 10.00 O ATOM 308 CB ASN A 22 -11.441 28.033 -6.595 1.00 10.00 C ATOM 309 CG ASN A 22 -10.036 28.244 -7.133 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.426 27.361 -7.716 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.483 29.429 -6.990 1.00 10.00 N ATOM 0 H ASN A 22 -10.539 26.366 -4.976 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.121 29.122 -4.739 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.776 27.034 -6.875 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.112 28.742 -7.081 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.551 29.605 -7.365 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -9.986 30.171 -6.504 1.00 10.00 H new ATOM 318 N LEU A 23 -13.611 26.994 -4.429 1.00 10.00 N ATOM 319 CA LEU A 23 -14.944 26.833 -3.899 1.00 10.00 C ATOM 320 C LEU A 23 -15.015 27.127 -2.393 1.00 10.00 C ATOM 321 O LEU A 23 -15.872 27.890 -1.963 1.00 10.00 O ATOM 322 CB LEU A 23 -15.529 25.487 -4.346 1.00 10.00 C ATOM 323 CG LEU A 23 -16.905 25.677 -5.018 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.880 26.386 -4.099 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.081 26.405 -6.347 1.00 10.00 C ATOM 0 H LEU A 23 -13.107 26.113 -4.529 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.600 27.593 -4.325 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.844 25.002 -5.042 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.629 24.826 -3.485 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.076 24.623 -5.237 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.838 26.503 -4.605 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.018 25.798 -3.192 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.486 27.368 -3.838 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.136 26.414 -6.620 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.723 27.430 -6.251 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.510 25.892 -7.121 1.00 10.00 H new ATOM 337 N GLN A 24 -14.065 26.619 -1.608 1.00 10.00 N ATOM 338 CA GLN A 24 -13.924 26.857 -0.171 1.00 10.00 C ATOM 339 C GLN A 24 -13.782 28.344 0.148 1.00 10.00 C ATOM 340 O GLN A 24 -14.466 28.836 1.034 1.00 10.00 O ATOM 341 CB GLN A 24 -12.690 26.124 0.371 1.00 10.00 C ATOM 342 CG GLN A 24 -12.700 25.868 1.875 1.00 10.00 C ATOM 343 CD GLN A 24 -13.665 24.754 2.282 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.845 24.969 2.523 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.211 23.521 2.377 1.00 10.00 N ATOM 0 H GLN A 24 -13.339 26.002 -1.973 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.830 26.480 0.304 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.599 25.168 -0.144 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.802 26.706 0.123 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.693 25.607 2.201 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.974 26.787 2.393 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.230 23.322 2.180 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -13.840 22.765 2.648 1.00 10.00 H new ATOM 354 N THR A 25 -12.931 29.076 -0.574 1.00 10.00 N ATOM 355 CA THR A 25 -12.748 30.523 -0.424 1.00 10.00 C ATOM 356 C THR A 25 -14.077 31.236 -0.614 1.00 10.00 C ATOM 357 O THR A 25 -14.506 32.017 0.225 1.00 10.00 O ATOM 358 CB THR A 25 -11.638 31.037 -1.359 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.181 32.296 -0.915 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.989 31.150 -2.837 1.00 10.00 C ATOM 0 H THR A 25 -12.336 28.671 -1.296 1.00 10.00 H new ATOM 0 HA THR A 25 -12.411 30.746 0.588 1.00 10.00 H new ATOM 0 HB THR A 25 -10.871 30.264 -1.300 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.474 32.617 -1.513 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.126 31.522 -3.389 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.269 30.169 -3.221 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.824 31.840 -2.961 1.00 10.00 H new ATOM 368 N GLN A 26 -14.813 30.830 -1.643 1.00 10.00 N ATOM 369 CA GLN A 26 -16.171 31.274 -1.932 1.00 10.00 C ATOM 370 C GLN A 26 -17.182 30.986 -0.813 1.00 10.00 C ATOM 371 O GLN A 26 -17.871 31.908 -0.373 1.00 10.00 O ATOM 372 CB GLN A 26 -16.610 30.656 -3.273 1.00 10.00 C ATOM 373 CG GLN A 26 -16.720 31.716 -4.372 1.00 10.00 C ATOM 374 CD GLN A 26 -16.975 31.096 -5.741 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.048 31.228 -6.315 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.032 30.369 -6.302 1.00 10.00 N ATOM 0 H GLN A 26 -14.466 30.156 -2.325 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.157 32.362 -2.001 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.894 29.892 -3.574 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.572 30.159 -3.148 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.529 32.406 -4.130 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.801 32.301 -4.405 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.133 30.251 -5.835 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.200 29.924 -7.204 1.00 10.00 H new ATOM 385 N VAL A 27 -17.277 29.747 -0.313 1.00 10.00 N ATOM 386 CA VAL A 27 -18.181 29.425 0.797 1.00 10.00 C ATOM 387 C VAL A 27 -17.771 30.161 2.064 1.00 10.00 C ATOM 388 O VAL A 27 -18.608 30.624 2.828 1.00 10.00 O ATOM 389 CB VAL A 27 -18.333 27.927 1.127 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.262 27.023 -0.101 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.406 27.311 2.176 1.00 10.00 C ATOM 0 H VAL A 27 -16.739 28.953 -0.660 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.155 29.757 0.438 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.329 27.958 1.568 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.376 25.983 0.206 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.061 27.287 -0.794 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.298 27.152 -0.593 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.640 26.253 2.292 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.370 27.420 1.855 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.546 27.820 3.129 1.00 10.00 H new ATOM 401 N THR A 28 -16.466 30.289 2.286 1.00 10.00 N ATOM 402 CA THR A 28 -15.911 30.977 3.436 1.00 10.00 C ATOM 403 C THR A 28 -16.145 32.468 3.354 1.00 10.00 C ATOM 404 O THR A 28 -16.229 33.125 4.376 1.00 10.00 O ATOM 405 CB THR A 28 -14.408 30.786 3.577 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.040 29.425 3.589 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.934 31.376 4.890 1.00 10.00 C ATOM 0 H THR A 28 -15.757 29.910 1.659 1.00 10.00 H new ATOM 0 HA THR A 28 -16.422 30.538 4.293 1.00 10.00 H new ATOM 0 HB THR A 28 -13.954 31.280 2.718 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.884 29.120 2.671 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.857 31.236 4.984 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.165 32.441 4.915 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.439 30.876 5.717 1.00 10.00 H new ATOM 415 N GLU A 29 -16.257 33.044 2.166 1.00 10.00 N ATOM 416 CA GLU A 29 -16.605 34.440 2.047 1.00 10.00 C ATOM 417 C GLU A 29 -18.118 34.653 2.234 1.00 10.00 C ATOM 418 O GLU A 29 -18.535 35.684 2.752 1.00 10.00 O ATOM 419 CB GLU A 29 -16.062 35.029 0.765 1.00 10.00 C ATOM 420 CG GLU A 29 -14.545 35.223 0.857 1.00 10.00 C ATOM 421 CD GLU A 29 -13.995 35.983 -0.367 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.083 35.470 -1.510 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.474 37.114 -0.196 1.00 10.00 O ATOM 0 H GLU A 29 -16.111 32.563 1.278 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.125 34.991 2.856 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.299 34.372 -0.072 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.544 35.986 0.566 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.302 35.773 1.766 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.057 34.251 0.932 1.00 10.00 H new ATOM 430 N ALA A 30 -18.962 33.675 1.881 1.00 10.00 N ATOM 431 CA ALA A 30 -20.373 33.677 2.258 1.00 10.00 C ATOM 432 C ALA A 30 -20.497 33.587 3.785 1.00 10.00 C ATOM 433 O ALA A 30 -21.302 34.268 4.417 1.00 10.00 O ATOM 434 CB ALA A 30 -21.080 32.500 1.598 1.00 10.00 C ATOM 0 H ALA A 30 -18.683 32.865 1.328 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.841 34.602 1.921 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.133 32.503 1.880 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -20.995 32.585 0.515 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.619 31.568 1.926 1.00 10.00 H new ATOM 440 N LEU A 31 -19.625 32.782 4.385 1.00 10.00 N ATOM 441 CA LEU A 31 -19.407 32.689 5.808 1.00 10.00 C ATOM 442 C LEU A 31 -18.746 33.941 6.401 1.00 10.00 C ATOM 443 O LEU A 31 -19.030 34.265 7.537 1.00 10.00 O ATOM 444 CB LEU A 31 -18.540 31.466 6.061 1.00 10.00 C ATOM 445 CG LEU A 31 -18.399 31.140 7.542 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.605 30.345 8.022 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.095 30.382 7.702 1.00 10.00 C ATOM 0 H LEU A 31 -19.025 32.148 3.856 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.375 32.603 6.302 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.970 30.608 5.544 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.551 31.633 5.634 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.371 32.040 8.156 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.493 30.118 9.082 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.511 30.932 7.871 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.676 29.415 7.457 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.950 30.126 8.751 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.129 29.469 7.107 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.268 31.006 7.363 1.00 10.00 H new ATOM 459 N ASP A 32 -17.917 34.693 5.683 1.00 10.00 N ATOM 460 CA ASP A 32 -17.411 35.989 6.131 1.00 10.00 C ATOM 461 C ASP A 32 -18.598 36.928 6.400 1.00 10.00 C ATOM 462 O ASP A 32 -18.577 37.706 7.356 1.00 10.00 O ATOM 463 CB ASP A 32 -16.381 36.549 5.132 1.00 10.00 C ATOM 464 CG ASP A 32 -15.971 37.993 5.463 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.164 38.195 6.403 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.438 38.926 4.764 1.00 10.00 O ATOM 0 H ASP A 32 -17.573 34.418 4.763 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.869 35.883 7.071 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.496 35.913 5.132 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.798 36.514 4.126 1.00 10.00 H new ATOM 471 N LYS A 33 -19.688 36.758 5.635 1.00 10.00 N ATOM 472 CA LYS A 33 -20.970 37.386 5.878 1.00 10.00 C ATOM 473 C LYS A 33 -21.707 36.721 7.046 1.00 10.00 C ATOM 474 O LYS A 33 -22.283 37.399 7.893 1.00 10.00 O ATOM 475 CB LYS A 33 -21.837 37.436 4.618 1.00 10.00 C ATOM 476 CG LYS A 33 -21.212 37.547 3.225 1.00 10.00 C ATOM 477 CD LYS A 33 -19.998 38.469 3.091 1.00 10.00 C ATOM 478 CE LYS A 33 -19.640 38.629 1.616 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.447 39.499 1.445 1.00 10.00 N ATOM 0 H LYS A 33 -19.688 36.160 4.809 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.769 38.419 6.162 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.451 36.536 4.619 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.513 38.284 4.731 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.919 36.548 2.903 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -21.980 37.892 2.533 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.217 39.442 3.531 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.151 38.055 3.639 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.446 37.650 1.178 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.486 39.057 1.078 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.226 39.590 0.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.643 40.440 1.843 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.635 39.077 1.940 1.00 10.00 H new ATOM 493 N LEU A 34 -21.727 35.387 7.103 1.00 10.00 N ATOM 494 CA LEU A 34 -22.480 34.626 8.113 1.00 10.00 C ATOM 495 C LEU A 34 -21.830 34.722 9.503 1.00 10.00 C ATOM 496 O LEU A 34 -22.443 34.466 10.526 1.00 10.00 O ATOM 497 CB LEU A 34 -22.705 33.191 7.635 1.00 10.00 C ATOM 498 CG LEU A 34 -24.147 32.676 7.825 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.313 31.435 7.008 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.652 32.229 9.178 1.00 10.00 C ATOM 0 H LEU A 34 -21.218 34.796 6.446 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.466 35.075 8.232 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.446 33.128 6.578 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.023 32.531 8.171 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.704 33.577 7.569 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.327 31.053 7.128 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.133 31.664 5.958 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.600 30.681 7.342 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.689 31.905 9.090 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.042 31.400 9.538 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.589 33.059 9.882 1.00 10.00 H new ATOM 512 N ALA A 35 -20.559 35.081 9.556 1.00 10.00 N ATOM 513 CA ALA A 35 -19.829 35.442 10.748 1.00 10.00 C ATOM 514 C ALA A 35 -20.106 36.935 11.128 1.00 10.00 C ATOM 515 O ALA A 35 -19.970 37.312 12.294 1.00 10.00 O ATOM 516 CB ALA A 35 -18.360 35.072 10.482 1.00 10.00 C ATOM 0 H ALA A 35 -19.980 35.129 8.717 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.149 34.898 11.636 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.758 35.324 11.355 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.284 34.003 10.285 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.996 35.627 9.617 1.00 10.00 H new ATOM 522 N ALA A 36 -20.516 37.781 10.157 1.00 10.00 N ATOM 523 CA ALA A 36 -20.878 39.207 10.292 1.00 10.00 C ATOM 524 C ALA A 36 -22.306 39.505 10.814 1.00 10.00 C ATOM 525 O ALA A 36 -22.473 40.268 11.770 1.00 10.00 O ATOM 526 CB ALA A 36 -20.632 39.921 8.945 1.00 10.00 C ATOM 0 H ALA A 36 -20.609 37.462 9.193 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.230 39.596 11.077 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.897 40.974 9.038 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.580 39.834 8.674 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.245 39.459 8.171 1.00 10.00 H new ATOM 532 N LYS A 37 -23.335 38.912 10.191 1.00 10.00 N ATOM 533 CA LYS A 37 -24.788 39.112 10.454 1.00 10.00 C ATOM 534 C LYS A 37 -25.535 37.759 10.373 1.00 10.00 C ATOM 535 O LYS A 37 -26.588 37.653 9.748 1.00 10.00 O ATOM 536 CB LYS A 37 -25.297 40.041 9.349 1.00 10.00 C ATOM 537 CG LYS A 37 -26.608 40.773 9.633 1.00 10.00 C ATOM 538 CD LYS A 37 -27.102 41.368 8.310 1.00 10.00 C ATOM 539 CE LYS A 37 -28.410 42.112 8.562 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.104 42.457 7.297 1.00 10.00 N ATOM 0 H LYS A 37 -23.177 38.237 9.443 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.955 39.531 11.446 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.527 40.785 9.145 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.423 39.454 8.439 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.348 40.087 10.044 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.455 41.559 10.373 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.355 42.047 7.900 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.253 40.578 7.574 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.065 41.496 9.179 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.207 43.023 9.124 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -29.904 43.090 7.501 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.439 42.935 6.656 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.456 41.588 6.846 1.00 10.00 H new ATOM 554 N PRO A 38 -25.008 36.709 11.009 1.00 10.00 N ATOM 555 CA PRO A 38 -25.383 35.325 10.815 1.00 10.00 C ATOM 556 C PRO A 38 -26.650 34.879 10.099 1.00 10.00 C ATOM 557 O PRO A 38 -26.610 34.662 8.891 1.00 10.00 O ATOM 558 CB PRO A 38 -25.001 34.537 12.062 1.00 10.00 C ATOM 559 CG PRO A 38 -24.192 35.516 12.920 1.00 10.00 C ATOM 560 CD PRO A 38 -24.035 36.785 12.082 1.00 10.00 C ATOM 0 HA PRO A 38 -24.795 35.058 9.937 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.886 34.186 12.593 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.412 33.656 11.807 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.706 35.729 13.857 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.220 35.097 13.178 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.202 37.673 12.692 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.024 36.860 11.681 1.00 10.00 H new ATOM 568 N SER A 39 -27.758 34.671 10.797 1.00 10.00 N ATOM 569 CA SER A 39 -28.926 34.036 10.211 1.00 10.00 C ATOM 570 C SER A 39 -29.718 34.941 9.259 1.00 10.00 C ATOM 571 O SER A 39 -30.817 34.565 8.854 1.00 10.00 O ATOM 572 CB SER A 39 -29.757 33.327 11.272 1.00 10.00 C ATOM 573 OG SER A 39 -30.256 34.238 12.241 1.00 10.00 O ATOM 0 H SER A 39 -27.871 34.935 11.776 1.00 10.00 H new ATOM 0 HA SER A 39 -28.566 33.253 9.543 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.590 32.809 10.796 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.149 32.568 11.764 1.00 10.00 H new ATOM 0 HG SER A 39 -30.786 33.751 12.906 1.00 10.00 H new ATOM 579 N ASP A 40 -29.173 36.122 8.910 1.00 10.00 N ATOM 580 CA ASP A 40 -29.650 36.984 7.822 1.00 10.00 C ATOM 581 C ASP A 40 -29.828 36.069 6.604 1.00 10.00 C ATOM 582 O ASP A 40 -28.842 35.597 6.042 1.00 10.00 O ATOM 583 CB ASP A 40 -28.680 38.139 7.537 1.00 10.00 C ATOM 584 CG ASP A 40 -29.097 38.916 6.278 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.702 38.528 5.155 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.829 39.923 6.418 1.00 10.00 O ATOM 0 H ASP A 40 -28.364 36.511 9.395 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.590 37.466 8.089 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.653 38.814 8.392 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.671 37.747 7.408 1.00 10.00 H new ATOM 591 N PRO A 41 -31.057 35.749 6.186 1.00 10.00 N ATOM 592 CA PRO A 41 -31.246 34.684 5.216 1.00 10.00 C ATOM 593 C PRO A 41 -30.719 34.989 3.823 1.00 10.00 C ATOM 594 O PRO A 41 -30.396 34.063 3.090 1.00 10.00 O ATOM 595 CB PRO A 41 -32.746 34.436 5.209 1.00 10.00 C ATOM 596 CG PRO A 41 -33.340 35.785 5.621 1.00 10.00 C ATOM 597 CD PRO A 41 -32.318 36.327 6.610 1.00 10.00 C ATOM 0 HA PRO A 41 -30.666 33.807 5.504 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.096 34.129 4.224 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.024 33.646 5.907 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.464 36.449 4.765 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.322 35.669 6.079 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.283 37.416 6.587 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.563 36.038 7.632 1.00 10.00 H new ATOM 605 N ALA A 42 -30.590 36.257 3.448 1.00 10.00 N ATOM 606 CA ALA A 42 -30.029 36.635 2.170 1.00 10.00 C ATOM 607 C ALA A 42 -28.537 36.241 2.054 1.00 10.00 C ATOM 608 O ALA A 42 -28.135 35.673 1.034 1.00 10.00 O ATOM 609 CB ALA A 42 -30.321 38.122 1.987 1.00 10.00 C ATOM 0 H ALA A 42 -30.874 37.047 4.027 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.489 36.088 1.347 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.916 38.458 1.032 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.399 38.286 2.001 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.857 38.686 2.796 1.00 10.00 H new ATOM 615 N LEU A 43 -27.729 36.453 3.105 1.00 10.00 N ATOM 616 CA LEU A 43 -26.352 35.956 3.189 1.00 10.00 C ATOM 617 C LEU A 43 -26.241 34.472 3.606 1.00 10.00 C ATOM 618 O LEU A 43 -25.455 33.737 3.011 1.00 10.00 O ATOM 619 CB LEU A 43 -25.526 36.922 4.058 1.00 10.00 C ATOM 620 CG LEU A 43 -25.725 36.801 5.567 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.834 35.746 6.161 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.248 38.012 6.348 1.00 10.00 C ATOM 0 H LEU A 43 -28.020 36.981 3.928 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.925 35.948 2.186 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.470 36.766 3.837 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.766 37.943 3.760 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.797 36.620 5.648 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.004 35.689 7.236 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.059 34.781 5.707 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.791 36.001 5.972 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.423 37.851 7.412 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.182 38.161 6.174 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.796 38.895 6.020 1.00 10.00 H new ATOM 634 N LEU A 44 -27.005 34.001 4.603 1.00 10.00 N ATOM 635 CA LEU A 44 -26.972 32.604 5.073 1.00 10.00 C ATOM 636 C LEU A 44 -27.436 31.673 3.960 1.00 10.00 C ATOM 637 O LEU A 44 -26.885 30.585 3.820 1.00 10.00 O ATOM 638 CB LEU A 44 -27.740 32.467 6.416 1.00 10.00 C ATOM 639 CG LEU A 44 -28.631 31.252 6.747 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.706 30.859 5.731 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.819 30.000 6.987 1.00 10.00 C ATOM 0 H LEU A 44 -27.670 34.583 5.112 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.952 32.296 5.302 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.994 32.530 7.208 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.373 33.350 6.503 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.141 31.620 7.637 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.252 29.990 6.097 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.397 31.690 5.593 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.235 30.616 4.778 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.488 29.171 7.217 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.242 29.764 6.093 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.141 30.161 7.825 1.00 10.00 H new ATOM 653 N ALA A 45 -28.389 32.074 3.115 1.00 10.00 N ATOM 654 CA ALA A 45 -28.782 31.198 2.034 1.00 10.00 C ATOM 655 C ALA A 45 -27.757 31.208 0.891 1.00 10.00 C ATOM 656 O ALA A 45 -27.584 30.192 0.223 1.00 10.00 O ATOM 657 CB ALA A 45 -30.209 31.474 1.555 1.00 10.00 C ATOM 0 H ALA A 45 -28.881 32.966 3.161 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.791 30.183 2.431 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.459 30.791 0.743 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.905 31.325 2.381 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.281 32.502 1.200 1.00 10.00 H new ATOM 663 N ALA A 46 -27.019 32.305 0.688 1.00 10.00 N ATOM 664 CA ALA A 46 -25.877 32.316 -0.214 1.00 10.00 C ATOM 665 C ALA A 46 -24.734 31.430 0.318 1.00 10.00 C ATOM 666 O ALA A 46 -24.077 30.736 -0.452 1.00 10.00 O ATOM 667 CB ALA A 46 -25.400 33.747 -0.442 1.00 10.00 C ATOM 0 H ALA A 46 -27.200 33.200 1.143 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.193 31.899 -1.170 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.545 33.742 -1.118 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.207 34.334 -0.881 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.107 34.189 0.510 1.00 10.00 H new ATOM 673 N TYR A 47 -24.540 31.377 1.638 1.00 10.00 N ATOM 674 CA TYR A 47 -23.641 30.438 2.289 1.00 10.00 C ATOM 675 C TYR A 47 -24.057 29.015 2.044 1.00 10.00 C ATOM 676 O TYR A 47 -23.266 28.236 1.527 1.00 10.00 O ATOM 677 CB TYR A 47 -23.612 30.680 3.787 1.00 10.00 C ATOM 678 CG TYR A 47 -22.763 29.675 4.558 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.380 29.578 4.329 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.390 28.739 5.408 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.625 28.551 4.930 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.635 27.734 6.042 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.251 27.628 5.795 1.00 10.00 C ATOM 684 OH TYR A 47 -20.532 26.631 6.383 1.00 10.00 O ATOM 0 H TYR A 47 -25.015 32.000 2.291 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.650 30.598 1.864 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.231 31.684 3.976 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.632 30.649 4.170 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.892 30.296 3.687 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.456 28.794 5.573 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.567 28.470 4.729 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.117 27.043 6.718 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.123 26.090 6.947 1.00 10.00 H new ATOM 694 N GLN A 48 -25.303 28.695 2.381 1.00 10.00 N ATOM 695 CA GLN A 48 -25.793 27.335 2.268 1.00 10.00 C ATOM 696 C GLN A 48 -25.855 26.883 0.792 1.00 10.00 C ATOM 697 O GLN A 48 -25.700 25.706 0.467 1.00 10.00 O ATOM 698 CB GLN A 48 -27.042 27.135 3.123 1.00 10.00 C ATOM 699 CG GLN A 48 -28.333 27.622 2.505 1.00 10.00 C ATOM 700 CD GLN A 48 -29.103 26.545 1.739 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.067 26.462 0.519 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.833 25.683 2.417 1.00 10.00 N ATOM 0 H GLN A 48 -25.988 29.363 2.734 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.082 26.632 2.702 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.143 26.073 3.346 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.897 27.648 4.074 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -28.973 28.020 3.292 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.111 28.446 1.827 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -29.874 25.739 3.435 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -30.357 24.960 1.924 1.00 10.00 H new ATOM 711 N SER A 49 -25.969 27.855 -0.118 1.00 10.00 N ATOM 712 CA SER A 49 -25.816 27.671 -1.559 1.00 10.00 C ATOM 713 C SER A 49 -24.383 27.306 -1.916 1.00 10.00 C ATOM 714 O SER A 49 -24.151 26.321 -2.609 1.00 10.00 O ATOM 715 CB SER A 49 -26.168 28.943 -2.365 1.00 10.00 C ATOM 716 OG SER A 49 -27.559 29.199 -2.321 1.00 10.00 O ATOM 0 H SER A 49 -26.177 28.820 0.139 1.00 10.00 H new ATOM 0 HA SER A 49 -26.506 26.869 -1.820 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.624 29.797 -1.961 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.849 28.823 -3.400 1.00 10.00 H new ATOM 0 HG SER A 49 -27.792 29.592 -1.454 1.00 10.00 H new ATOM 722 N LYS A 50 -23.404 28.072 -1.431 1.00 10.00 N ATOM 723 CA LYS A 50 -21.981 27.872 -1.711 1.00 10.00 C ATOM 724 C LYS A 50 -21.436 26.585 -1.096 1.00 10.00 C ATOM 725 O LYS A 50 -20.680 25.879 -1.743 1.00 10.00 O ATOM 726 CB LYS A 50 -21.211 29.134 -1.287 1.00 10.00 C ATOM 727 CG LYS A 50 -21.574 30.317 -2.202 1.00 10.00 C ATOM 728 CD LYS A 50 -20.455 30.674 -3.167 1.00 10.00 C ATOM 729 CE LYS A 50 -20.098 29.546 -4.141 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.421 29.903 -5.550 1.00 10.00 N ATOM 0 H LYS A 50 -23.583 28.867 -0.818 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.840 27.731 -2.783 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.447 29.381 -0.252 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.138 28.946 -1.333 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.472 30.071 -2.768 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.811 31.186 -1.589 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.747 31.556 -3.737 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.567 30.943 -2.596 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.035 29.319 -4.059 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.639 28.642 -3.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.375 29.050 -6.144 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.379 30.305 -5.595 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.735 30.604 -5.897 1.00 10.00 H new ATOM 744 N LEU A 51 -21.894 26.242 0.100 1.00 10.00 N ATOM 745 CA LEU A 51 -21.732 24.982 0.829 1.00 10.00 C ATOM 746 C LEU A 51 -22.162 23.803 -0.054 1.00 10.00 C ATOM 747 O LEU A 51 -21.477 22.781 -0.111 1.00 10.00 O ATOM 748 CB LEU A 51 -22.573 25.216 2.109 1.00 10.00 C ATOM 749 CG LEU A 51 -23.186 24.103 2.980 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.006 24.796 4.086 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.175 23.183 2.259 1.00 10.00 C ATOM 0 H LEU A 51 -22.446 26.905 0.644 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.710 24.716 1.099 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.945 25.806 2.776 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.405 25.853 1.808 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.351 23.491 3.321 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.460 24.042 4.729 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.350 25.433 4.680 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.788 25.404 3.632 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.550 22.434 2.957 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.008 23.773 1.877 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.672 22.686 1.430 1.00 10.00 H new ATOM 763 N SER A 52 -23.244 23.973 -0.813 1.00 10.00 N ATOM 764 CA SER A 52 -23.676 23.019 -1.822 1.00 10.00 C ATOM 765 C SER A 52 -22.851 23.091 -3.105 1.00 10.00 C ATOM 766 O SER A 52 -22.461 22.050 -3.622 1.00 10.00 O ATOM 767 CB SER A 52 -25.145 23.199 -2.182 1.00 10.00 C ATOM 768 OG SER A 52 -25.992 23.156 -1.043 1.00 10.00 O ATOM 0 H SER A 52 -23.850 24.790 -0.740 1.00 10.00 H new ATOM 0 HA SER A 52 -23.525 22.041 -1.366 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.277 24.153 -2.693 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.443 22.418 -2.882 1.00 10.00 H new ATOM 0 HG SER A 52 -25.915 23.997 -0.546 1.00 10.00 H new ATOM 774 N GLU A 53 -22.516 24.284 -3.604 1.00 10.00 N ATOM 775 CA GLU A 53 -21.667 24.455 -4.776 1.00 10.00 C ATOM 776 C GLU A 53 -20.288 23.812 -4.593 1.00 10.00 C ATOM 777 O GLU A 53 -19.685 23.334 -5.544 1.00 10.00 O ATOM 778 CB GLU A 53 -21.383 25.902 -5.133 1.00 10.00 C ATOM 779 CG GLU A 53 -22.410 26.860 -5.698 1.00 10.00 C ATOM 780 CD GLU A 53 -23.183 26.301 -6.908 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.564 26.087 -7.978 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.418 26.105 -6.805 1.00 10.00 O ATOM 0 H GLU A 53 -22.832 25.165 -3.198 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.246 23.977 -5.566 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.002 26.368 -4.225 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.562 25.881 -5.850 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.121 27.120 -4.914 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.909 27.782 -5.993 1.00 10.00 H new ATOM 789 N TYR A 54 -19.764 23.828 -3.371 1.00 10.00 N ATOM 790 CA TYR A 54 -18.499 23.210 -3.016 1.00 10.00 C ATOM 791 C TYR A 54 -18.610 21.685 -3.077 1.00 10.00 C ATOM 792 O TYR A 54 -17.718 21.024 -3.608 1.00 10.00 O ATOM 793 CB TYR A 54 -18.002 23.774 -1.678 1.00 10.00 C ATOM 794 CG TYR A 54 -17.393 22.772 -0.753 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.109 22.289 -1.034 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.110 22.312 0.360 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.535 21.327 -0.197 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.543 21.346 1.198 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.245 20.848 0.930 1.00 10.00 C ATOM 800 OH TYR A 54 -15.689 19.917 1.753 1.00 10.00 O ATOM 0 H TYR A 54 -20.223 24.284 -2.582 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.729 23.463 -3.745 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.266 24.552 -1.881 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.839 24.252 -1.170 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.566 22.657 -1.892 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.095 22.701 0.570 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.547 20.948 -0.411 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.096 20.980 2.050 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.315 19.704 2.476 1.00 10.00 H new ATOM 843 N TYR A 57 -18.685 21.121 -6.816 1.00 10.00 N ATOM 844 CA TYR A 57 -17.289 21.097 -7.209 1.00 10.00 C ATOM 845 C TYR A 57 -16.755 19.667 -6.963 1.00 10.00 C ATOM 846 O TYR A 57 -16.135 19.057 -7.832 1.00 10.00 O ATOM 847 CB TYR A 57 -16.490 22.221 -6.522 1.00 10.00 C ATOM 848 CG TYR A 57 -15.014 21.920 -6.574 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.510 20.960 -5.682 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.225 22.382 -7.642 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.276 20.347 -5.927 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.946 21.832 -7.847 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.484 20.788 -7.014 1.00 10.00 C ATOM 854 OH TYR A 57 -11.290 20.202 -7.287 1.00 10.00 O ATOM 0 HA TYR A 57 -17.170 21.314 -8.271 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.692 23.173 -7.014 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.811 22.323 -5.485 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -15.077 20.693 -4.803 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.598 23.153 -8.300 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.931 19.544 -5.292 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.318 22.208 -8.641 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.885 20.633 -8.069 1.00 10.00 H new ATOM 864 N ARG A 58 -17.100 19.093 -5.801 1.00 10.00 N ATOM 865 CA ARG A 58 -16.820 17.721 -5.359 1.00 10.00 C ATOM 866 C ARG A 58 -17.514 16.656 -6.227 1.00 10.00 C ATOM 867 O ARG A 58 -16.944 15.598 -6.470 1.00 10.00 O ATOM 868 CB ARG A 58 -17.264 17.596 -3.889 1.00 10.00 C ATOM 869 CG ARG A 58 -16.267 17.001 -2.894 1.00 10.00 C ATOM 870 CD ARG A 58 -15.259 18.046 -2.399 1.00 10.00 C ATOM 871 NE ARG A 58 -14.499 17.542 -1.236 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.313 16.957 -1.193 1.00 10.00 C ATOM 873 NH1 ARG A 58 -12.541 16.773 -2.222 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.842 16.512 -0.065 1.00 10.00 N ATOM 0 H ARG A 58 -17.620 19.614 -5.095 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.751 17.535 -5.462 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.538 18.590 -3.536 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.168 16.988 -3.862 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.807 16.586 -2.043 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.733 16.176 -3.365 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.570 18.302 -3.204 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.784 18.961 -2.126 1.00 10.00 H new ATOM 0 HE ARG A 58 -14.957 17.663 -0.332 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -12.838 17.089 -3.145 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -11.638 16.312 -2.106 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -13.387 16.613 0.791 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -11.927 16.062 -0.036 1.00 10.00 H new ATOM 888 N ASN A 59 -18.723 16.944 -6.714 1.00 10.00 N ATOM 889 CA ASN A 59 -19.532 16.090 -7.588 1.00 10.00 C ATOM 890 C ASN A 59 -18.901 15.975 -8.984 1.00 10.00 C ATOM 891 O ASN A 59 -18.737 14.888 -9.534 1.00 10.00 O ATOM 892 CB ASN A 59 -20.972 16.637 -7.684 1.00 10.00 C ATOM 893 CG ASN A 59 -21.920 15.621 -8.305 1.00 10.00 C ATOM 894 OD1 ASN A 59 -22.025 14.483 -7.868 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.636 15.987 -9.344 1.00 10.00 N ATOM 0 H ASN A 59 -19.189 17.825 -6.498 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.566 15.091 -7.154 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.327 16.905 -6.689 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.976 17.550 -8.280 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.275 15.324 -9.782 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.553 16.934 -9.713 1.00 10.00 H new ATOM 902 N ALA A 60 -18.485 17.118 -9.526 1.00 10.00 N ATOM 903 CA ALA A 60 -17.673 17.253 -10.725 1.00 10.00 C ATOM 904 C ALA A 60 -16.316 16.562 -10.544 1.00 10.00 C ATOM 905 O ALA A 60 -15.873 15.811 -11.413 1.00 10.00 O ATOM 906 CB ALA A 60 -17.572 18.756 -11.010 1.00 10.00 C ATOM 0 H ALA A 60 -18.720 18.021 -9.115 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.120 16.756 -11.586 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.970 18.917 -11.904 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.570 19.165 -11.166 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -17.104 19.256 -10.162 1.00 10.00 H new ATOM 912 N GLN A 61 -15.734 16.683 -9.351 1.00 10.00 N ATOM 913 CA GLN A 61 -14.572 15.950 -8.851 1.00 10.00 C ATOM 914 C GLN A 61 -14.909 14.515 -8.382 1.00 10.00 C ATOM 915 O GLN A 61 -14.283 13.913 -7.513 1.00 10.00 O ATOM 916 CB GLN A 61 -13.886 16.826 -7.826 1.00 10.00 C ATOM 917 CG GLN A 61 -12.557 16.270 -7.303 1.00 10.00 C ATOM 918 CD GLN A 61 -12.599 16.078 -5.787 1.00 10.00 C ATOM 919 OE1 GLN A 61 -12.485 17.010 -5.002 1.00 10.00 O ATOM 920 NE2 GLN A 61 -12.821 14.874 -5.309 1.00 10.00 N ATOM 0 H GLN A 61 -16.088 17.344 -8.659 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.865 15.757 -9.658 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.707 17.807 -8.266 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.561 16.974 -6.983 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.342 15.318 -7.787 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.747 16.951 -7.564 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -12.919 14.083 -5.945 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -12.895 14.731 -4.302 1.00 10.00 H new ATOM 929 N SER A 62 -15.949 13.974 -8.996 1.00 10.00 N ATOM 930 CA SER A 62 -16.399 12.589 -8.985 1.00 10.00 C ATOM 931 C SER A 62 -16.979 12.218 -10.370 1.00 10.00 C ATOM 932 O SER A 62 -17.680 11.221 -10.539 1.00 10.00 O ATOM 933 CB SER A 62 -17.355 12.344 -7.823 1.00 10.00 C ATOM 934 OG SER A 62 -17.509 10.950 -7.590 1.00 10.00 O ATOM 0 H SER A 62 -16.561 14.551 -9.573 1.00 10.00 H new ATOM 0 HA SER A 62 -15.556 11.920 -8.814 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.976 12.829 -6.924 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.325 12.791 -8.042 1.00 10.00 H new ATOM 0 HG SER A 62 -18.124 10.810 -6.840 1.00 10.00 H new ATOM 940 N ASN A 63 -16.635 13.022 -11.390 1.00 10.00 N ATOM 941 CA ASN A 63 -16.965 12.873 -12.800 1.00 10.00 C ATOM 942 C ASN A 63 -15.684 12.802 -13.639 1.00 10.00 C ATOM 943 O ASN A 63 -15.431 11.830 -14.338 1.00 10.00 O ATOM 944 CB ASN A 63 -17.889 14.041 -13.197 1.00 10.00 C ATOM 945 CG ASN A 63 -18.764 13.743 -14.408 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.489 12.872 -15.223 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.854 14.458 -14.568 1.00 10.00 N ATOM 0 H ASN A 63 -16.074 13.858 -11.226 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.496 11.940 -12.988 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.528 14.291 -12.350 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.280 14.920 -13.407 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.464 14.286 -15.367 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.090 15.186 -13.893 1.00 10.00 H new ATOM 954 N THR A 64 -14.800 13.775 -13.442 1.00 10.00 N ATOM 955 CA THR A 64 -13.413 13.822 -13.945 1.00 10.00 C ATOM 956 C THR A 64 -12.576 12.595 -13.596 1.00 10.00 C ATOM 957 O THR A 64 -11.844 12.015 -14.389 1.00 10.00 O ATOM 958 CB THR A 64 -12.766 15.084 -13.387 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.461 15.273 -13.870 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.769 15.138 -11.856 1.00 10.00 C ATOM 0 H THR A 64 -15.037 14.604 -12.897 1.00 10.00 H new ATOM 0 HA THR A 64 -13.452 13.831 -15.034 1.00 10.00 H new ATOM 0 HB THR A 64 -13.391 15.902 -13.746 1.00 10.00 H new ATOM 0 HG1 THR A 64 -10.880 14.560 -13.532 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.294 16.061 -11.524 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.796 15.107 -11.493 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.219 14.284 -11.461 1.00 10.00 H new ATOM 968 N VAL A 65 -12.794 12.123 -12.388 1.00 10.00 N ATOM 969 CA VAL A 65 -12.288 10.894 -11.787 1.00 10.00 C ATOM 970 C VAL A 65 -12.663 9.662 -12.626 1.00 10.00 C ATOM 971 O VAL A 65 -11.829 8.820 -12.954 1.00 10.00 O ATOM 972 CB VAL A 65 -12.909 10.813 -10.384 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.083 9.924 -9.465 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.040 12.179 -9.703 1.00 10.00 C ATOM 0 H VAL A 65 -13.386 12.635 -11.734 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.199 10.907 -11.738 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.904 10.397 -10.540 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.548 9.887 -8.480 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.033 8.918 -9.881 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.075 10.330 -9.375 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.485 12.052 -8.716 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.053 12.631 -9.601 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.675 12.827 -10.307 1.00 10.00 H new ATOM 984 N LYS A 66 -13.931 9.632 -13.054 1.00 10.00 N ATOM 985 CA LYS A 66 -14.576 8.688 -13.969 1.00 10.00 C ATOM 986 C LYS A 66 -14.307 9.002 -15.461 1.00 10.00 C ATOM 987 O LYS A 66 -14.848 8.336 -16.342 1.00 10.00 O ATOM 988 CB LYS A 66 -16.084 8.673 -13.640 1.00 10.00 C ATOM 989 CG LYS A 66 -16.492 7.779 -12.454 1.00 10.00 C ATOM 990 CD LYS A 66 -16.002 8.280 -11.085 1.00 10.00 C ATOM 991 CE LYS A 66 -16.833 7.654 -9.956 1.00 10.00 C ATOM 992 NZ LYS A 66 -16.598 8.323 -8.648 1.00 10.00 N ATOM 0 H LYS A 66 -14.594 10.339 -12.736 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.147 7.697 -13.820 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.403 9.694 -13.430 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.629 8.344 -14.525 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -17.579 7.700 -12.431 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -16.103 6.775 -12.621 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.950 8.027 -10.954 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -16.077 9.367 -11.040 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -17.891 7.716 -10.209 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.587 6.596 -9.870 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.954 7.718 -7.880 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -15.579 8.484 -8.518 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.097 9.235 -8.630 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.417 9.955 -15.751 1.00 10.00 N ATOM 1007 CA VAL A 67 -12.938 10.383 -17.070 1.00 10.00 C ATOM 1008 C VAL A 67 -11.462 10.069 -17.248 1.00 10.00 C ATOM 1009 O VAL A 67 -11.040 9.671 -18.328 1.00 10.00 O ATOM 1010 CB VAL A 67 -13.267 11.861 -17.257 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -12.442 12.572 -18.310 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -14.752 11.959 -17.531 1.00 10.00 C ATOM 0 H VAL A 67 -12.975 10.493 -15.006 1.00 10.00 H new ATOM 0 HA VAL A 67 -13.448 9.824 -17.854 1.00 10.00 H new ATOM 0 HB VAL A 67 -12.999 12.389 -16.342 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -12.749 13.616 -18.369 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -11.387 12.519 -18.043 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -12.596 12.093 -19.277 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.028 13.004 -17.671 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -14.994 11.396 -18.433 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -15.306 11.547 -16.687 1.00 10.00 H new ATOM 1022 N PHE A 68 -10.675 10.163 -16.183 1.00 10.00 N ATOM 1023 CA PHE A 68 -9.325 9.624 -16.151 1.00 10.00 C ATOM 1024 C PHE A 68 -9.446 8.083 -16.244 1.00 10.00 C ATOM 1025 O PHE A 68 -8.563 7.397 -16.740 1.00 10.00 O ATOM 1026 CB PHE A 68 -8.638 10.094 -14.873 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.300 11.577 -14.837 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -7.417 12.128 -15.788 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -8.868 12.411 -13.856 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.126 13.506 -15.768 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.592 13.790 -13.846 1.00 10.00 C ATOM 1032 CZ PHE A 68 -7.719 14.338 -14.802 1.00 10.00 C ATOM 0 H PHE A 68 -10.958 10.617 -15.315 1.00 10.00 H new ATOM 0 HA PHE A 68 -8.713 9.972 -16.983 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.282 9.862 -14.025 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.719 9.523 -14.741 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -6.963 11.492 -16.533 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.520 11.989 -13.106 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -6.446 13.924 -16.496 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.050 14.428 -13.104 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.504 15.396 -14.794 1.00 10.00 H new