USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 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 26 GLN : amide:sc= 1.39 K(o=2.1,f=-2.8) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -165:sc= 0.661 (180deg=-0.0843) 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= 0 K(o=0,f=-0.62) USER MOD Single : A 24 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.034) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.21) USER MOD Single : A 39 SER OG : rot 180:sc=0.000579 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-0.6) USER MOD Single : A 49 SER OG : rot 75:sc= 0.887 USER MOD Single : A 52 SER OG : rot 80:sc= 0.223 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0229 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.9) USER MOD Single : A 64 THR OG1 : rot -60:sc= 0.769 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 2.348 6.443 0.913 1.00 10.00 N ATOM 59 CA TRP A 5 2.429 7.518 -0.080 1.00 10.00 C ATOM 60 C TRP A 5 2.791 8.862 0.572 1.00 10.00 C ATOM 61 O TRP A 5 2.166 9.284 1.548 1.00 10.00 O ATOM 62 CB TRP A 5 1.092 7.620 -0.817 1.00 10.00 C ATOM 63 CG TRP A 5 0.516 6.348 -1.365 1.00 10.00 C ATOM 64 CD1 TRP A 5 0.845 5.773 -2.545 1.00 10.00 C ATOM 65 CD2 TRP A 5 -0.477 5.465 -0.755 1.00 10.00 C ATOM 66 NE1 TRP A 5 0.137 4.596 -2.701 1.00 10.00 N ATOM 67 CE2 TRP A 5 -0.684 4.349 -1.621 1.00 10.00 C ATOM 68 CE3 TRP A 5 -1.214 5.485 0.451 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -1.565 3.305 -1.305 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -2.102 4.441 0.779 1.00 10.00 C ATOM 71 CH2 TRP A 5 -2.277 3.352 -0.093 1.00 10.00 C ATOM 0 HA TRP A 5 3.222 7.281 -0.789 1.00 10.00 H new ATOM 0 HB2 TRP A 5 0.362 8.056 -0.135 1.00 10.00 H new ATOM 0 HB3 TRP A 5 1.214 8.320 -1.644 1.00 10.00 H new ATOM 0 HD1 TRP A 5 1.553 6.173 -3.256 1.00 10.00 H new ATOM 0 HE1 TRP A 5 0.213 3.986 -3.515 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -1.095 6.314 1.133 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -1.695 2.475 -1.984 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -2.652 4.478 1.707 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -2.956 2.554 0.167 1.00 10.00 H new ATOM 82 N SER A 6 3.795 9.541 0.005 1.00 10.00 N ATOM 83 CA SER A 6 4.285 10.860 0.445 1.00 10.00 C ATOM 84 C SER A 6 4.912 11.670 -0.704 1.00 10.00 C ATOM 85 O SER A 6 4.690 12.876 -0.816 1.00 10.00 O ATOM 86 CB SER A 6 5.307 10.652 1.571 1.00 10.00 C ATOM 87 OG SER A 6 5.752 11.893 2.099 1.00 10.00 O ATOM 0 H SER A 6 4.308 9.179 -0.799 1.00 10.00 H new ATOM 0 HA SER A 6 3.434 11.439 0.803 1.00 10.00 H new ATOM 0 HB2 SER A 6 4.859 10.056 2.366 1.00 10.00 H new ATOM 0 HB3 SER A 6 6.160 10.089 1.192 1.00 10.00 H new ATOM 0 HG SER A 6 6.401 11.730 2.815 1.00 10.00 H new ATOM 93 N GLY A 7 5.603 10.989 -1.627 1.00 10.00 N ATOM 94 CA GLY A 7 6.208 11.557 -2.845 1.00 10.00 C ATOM 95 C GLY A 7 5.466 11.188 -4.139 1.00 10.00 C ATOM 96 O GLY A 7 6.083 11.117 -5.203 1.00 10.00 O ATOM 0 H GLY A 7 5.764 9.985 -1.545 1.00 10.00 H new ATOM 0 HA2 GLY A 7 6.238 12.643 -2.752 1.00 10.00 H new ATOM 0 HA3 GLY A 7 7.240 11.215 -2.920 1.00 10.00 H new ATOM 100 N TYR A 8 4.158 10.913 -4.046 1.00 10.00 N ATOM 101 CA TYR A 8 3.295 10.493 -5.153 1.00 10.00 C ATOM 102 C TYR A 8 1.859 11.031 -5.010 1.00 10.00 C ATOM 103 O TYR A 8 1.367 11.785 -5.850 1.00 10.00 O ATOM 104 CB TYR A 8 3.312 8.955 -5.229 1.00 10.00 C ATOM 105 CG TYR A 8 2.819 8.406 -6.554 1.00 10.00 C ATOM 106 CD1 TYR A 8 3.710 8.302 -7.640 1.00 10.00 C ATOM 107 CD2 TYR A 8 1.474 8.010 -6.708 1.00 10.00 C ATOM 108 CE1 TYR A 8 3.264 7.802 -8.879 1.00 10.00 C ATOM 109 CE2 TYR A 8 1.024 7.509 -7.945 1.00 10.00 C ATOM 110 CZ TYR A 8 1.917 7.404 -9.034 1.00 10.00 C ATOM 111 OH TYR A 8 1.475 6.919 -10.228 1.00 10.00 O ATOM 0 H TYR A 8 3.654 10.980 -3.162 1.00 10.00 H new ATOM 0 HA TYR A 8 3.681 10.914 -6.081 1.00 10.00 H new ATOM 0 HB2 TYR A 8 4.329 8.602 -5.055 1.00 10.00 H new ATOM 0 HB3 TYR A 8 2.694 8.553 -4.426 1.00 10.00 H new ATOM 0 HD1 TYR A 8 4.739 8.607 -7.522 1.00 10.00 H new ATOM 0 HD2 TYR A 8 0.789 8.091 -5.877 1.00 10.00 H new ATOM 0 HE1 TYR A 8 3.950 7.723 -9.709 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -0.006 7.205 -8.061 1.00 10.00 H new ATOM 0 HH TYR A 8 0.524 6.693 -10.157 1.00 10.00 H new ATOM 121 N LEU A 9 1.223 10.705 -3.879 1.00 10.00 N ATOM 122 CA LEU A 9 -0.097 11.188 -3.445 1.00 10.00 C ATOM 123 C LEU A 9 -0.171 12.719 -3.346 1.00 10.00 C ATOM 124 O LEU A 9 -1.212 13.308 -3.633 1.00 10.00 O ATOM 125 CB LEU A 9 -0.388 10.468 -2.112 1.00 10.00 C ATOM 126 CG LEU A 9 -1.600 10.847 -1.247 1.00 10.00 C ATOM 127 CD1 LEU A 9 -1.414 12.161 -0.489 1.00 10.00 C ATOM 128 CD2 LEU A 9 -2.908 10.801 -2.032 1.00 10.00 C ATOM 0 H LEU A 9 1.636 10.062 -3.204 1.00 10.00 H new ATOM 0 HA LEU A 9 -0.865 10.953 -4.182 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -0.479 9.406 -2.338 1.00 10.00 H new ATOM 0 HB3 LEU A 9 0.497 10.586 -1.487 1.00 10.00 H new ATOM 0 HG LEU A 9 -1.671 10.077 -0.479 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -2.306 12.370 0.102 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -0.551 12.081 0.172 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -1.252 12.971 -1.200 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -3.735 11.077 -1.378 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -2.857 11.501 -2.866 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -3.068 9.793 -2.414 1.00 10.00 H new ATOM 140 N ASP A 10 0.933 13.374 -2.990 1.00 10.00 N ATOM 141 CA ASP A 10 1.022 14.825 -2.763 1.00 10.00 C ATOM 142 C ASP A 10 0.841 15.696 -4.036 1.00 10.00 C ATOM 143 O ASP A 10 0.919 16.921 -3.970 1.00 10.00 O ATOM 144 CB ASP A 10 2.355 15.111 -2.051 1.00 10.00 C ATOM 145 CG ASP A 10 2.444 16.531 -1.458 1.00 10.00 C ATOM 146 OD1 ASP A 10 1.583 16.892 -0.619 1.00 10.00 O ATOM 147 OD2 ASP A 10 3.409 17.267 -1.779 1.00 10.00 O ATOM 0 H ASP A 10 1.823 12.898 -2.845 1.00 10.00 H new ATOM 0 HA ASP A 10 0.178 15.118 -2.138 1.00 10.00 H new ATOM 0 HB2 ASP A 10 2.494 14.383 -1.252 1.00 10.00 H new ATOM 0 HB3 ASP A 10 3.173 14.969 -2.758 1.00 10.00 H new ATOM 152 N ASP A 11 0.561 15.084 -5.193 1.00 10.00 N ATOM 153 CA ASP A 11 0.170 15.747 -6.454 1.00 10.00 C ATOM 154 C ASP A 11 -1.193 15.248 -6.999 1.00 10.00 C ATOM 155 O ASP A 11 -1.674 15.707 -8.036 1.00 10.00 O ATOM 156 CB ASP A 11 1.314 15.563 -7.465 1.00 10.00 C ATOM 157 CG ASP A 11 1.153 16.425 -8.732 1.00 10.00 C ATOM 158 OD1 ASP A 11 1.083 17.672 -8.616 1.00 10.00 O ATOM 159 OD2 ASP A 11 1.157 15.861 -9.855 1.00 10.00 O ATOM 0 H ASP A 11 0.601 14.069 -5.285 1.00 10.00 H new ATOM 0 HA ASP A 11 0.015 16.810 -6.268 1.00 10.00 H new ATOM 0 HB2 ASP A 11 2.259 15.812 -6.983 1.00 10.00 H new ATOM 0 HB3 ASP A 11 1.370 14.513 -7.753 1.00 10.00 H new ATOM 164 N VAL A 12 -1.850 14.340 -6.266 1.00 10.00 N ATOM 165 CA VAL A 12 -3.142 13.712 -6.560 1.00 10.00 C ATOM 166 C VAL A 12 -4.208 14.173 -5.570 1.00 10.00 C ATOM 167 O VAL A 12 -5.278 14.636 -5.964 1.00 10.00 O ATOM 168 CB VAL A 12 -2.986 12.176 -6.515 1.00 10.00 C ATOM 169 CG1 VAL A 12 -4.326 11.432 -6.551 1.00 10.00 C ATOM 170 CG2 VAL A 12 -2.100 11.697 -7.669 1.00 10.00 C ATOM 0 H VAL A 12 -1.462 14.001 -5.386 1.00 10.00 H new ATOM 0 HA VAL A 12 -3.464 14.012 -7.557 1.00 10.00 H new ATOM 0 HB VAL A 12 -2.516 11.943 -5.560 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -4.147 10.357 -6.517 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -4.929 11.727 -5.692 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -4.856 11.682 -7.470 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -1.999 10.613 -7.624 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -2.554 11.980 -8.618 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -1.115 12.157 -7.587 1.00 10.00 H new ATOM 180 N SER A 13 -3.895 14.111 -4.277 1.00 10.00 N ATOM 181 CA SER A 13 -4.709 14.694 -3.220 1.00 10.00 C ATOM 182 C SER A 13 -4.596 16.215 -3.207 1.00 10.00 C ATOM 183 O SER A 13 -5.599 16.912 -3.079 1.00 10.00 O ATOM 184 CB SER A 13 -4.318 14.086 -1.877 1.00 10.00 C ATOM 185 OG SER A 13 -5.133 14.591 -0.832 1.00 10.00 O ATOM 0 H SER A 13 -3.055 13.646 -3.932 1.00 10.00 H new ATOM 0 HA SER A 13 -5.756 14.461 -3.412 1.00 10.00 H new ATOM 0 HB2 SER A 13 -4.412 13.001 -1.924 1.00 10.00 H new ATOM 0 HB3 SER A 13 -3.272 14.306 -1.665 1.00 10.00 H new ATOM 0 HG SER A 13 -4.864 14.185 0.018 1.00 10.00 H new ATOM 191 N ALA A 14 -3.402 16.767 -3.441 1.00 10.00 N ATOM 192 CA ALA A 14 -3.240 18.216 -3.473 1.00 10.00 C ATOM 193 C ALA A 14 -3.930 18.893 -4.680 1.00 10.00 C ATOM 194 O ALA A 14 -4.361 20.045 -4.586 1.00 10.00 O ATOM 195 CB ALA A 14 -1.778 18.607 -3.366 1.00 10.00 C ATOM 0 H ALA A 14 -2.546 16.238 -3.609 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.759 18.597 -2.594 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -1.689 19.693 -3.393 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.369 18.232 -2.428 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.224 18.177 -4.201 1.00 10.00 H new ATOM 201 N LYS A 15 -4.082 18.164 -5.800 1.00 10.00 N ATOM 202 CA LYS A 15 -4.898 18.552 -6.962 1.00 10.00 C ATOM 203 C LYS A 15 -6.337 18.856 -6.535 1.00 10.00 C ATOM 204 O LYS A 15 -6.890 19.895 -6.897 1.00 10.00 O ATOM 205 CB LYS A 15 -4.789 17.452 -8.036 1.00 10.00 C ATOM 206 CG LYS A 15 -5.855 17.520 -9.144 1.00 10.00 C ATOM 207 CD LYS A 15 -5.617 16.499 -10.269 1.00 10.00 C ATOM 208 CE LYS A 15 -4.315 16.762 -11.040 1.00 10.00 C ATOM 209 NZ LYS A 15 -4.158 15.829 -12.187 1.00 10.00 N ATOM 0 H LYS A 15 -3.625 17.260 -5.924 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.525 19.476 -7.403 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -3.803 17.511 -8.497 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -4.855 16.480 -7.548 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -6.838 17.347 -8.706 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -5.867 18.524 -9.568 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.587 15.496 -9.844 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.457 16.526 -10.963 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -4.308 17.790 -11.403 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -3.465 16.656 -10.366 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -3.268 16.036 -12.684 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.140 14.850 -11.838 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -4.956 15.948 -12.843 1.00 10.00 H new ATOM 223 N PHE A 16 -6.907 17.979 -5.707 1.00 10.00 N ATOM 224 CA PHE A 16 -8.169 18.208 -5.019 1.00 10.00 C ATOM 225 C PHE A 16 -8.048 19.397 -4.050 1.00 10.00 C ATOM 226 O PHE A 16 -8.839 20.333 -4.124 1.00 10.00 O ATOM 227 CB PHE A 16 -8.632 16.910 -4.323 1.00 10.00 C ATOM 228 CG PHE A 16 -9.350 17.112 -3.000 1.00 10.00 C ATOM 229 CD1 PHE A 16 -10.684 17.550 -2.995 1.00 10.00 C ATOM 230 CD2 PHE A 16 -8.671 16.923 -1.779 1.00 10.00 C ATOM 231 CE1 PHE A 16 -11.335 17.811 -1.777 1.00 10.00 C ATOM 232 CE2 PHE A 16 -9.324 17.182 -0.561 1.00 10.00 C ATOM 233 CZ PHE A 16 -10.655 17.629 -0.560 1.00 10.00 C ATOM 0 H PHE A 16 -6.492 17.072 -5.495 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.938 18.476 -5.743 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.294 16.369 -4.999 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -7.762 16.276 -4.154 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -11.210 17.686 -3.928 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -7.647 16.579 -1.779 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -12.360 18.152 -1.776 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -8.802 17.037 0.373 1.00 10.00 H new ATOM 0 HZ PHE A 16 -11.156 17.833 0.375 1.00 10.00 H new ATOM 243 N ASP A 17 -7.030 19.405 -3.184 1.00 10.00 N ATOM 244 CA ASP A 17 -6.900 20.355 -2.072 1.00 10.00 C ATOM 245 C ASP A 17 -6.817 21.839 -2.477 1.00 10.00 C ATOM 246 O ASP A 17 -7.207 22.710 -1.698 1.00 10.00 O ATOM 247 CB ASP A 17 -5.702 19.968 -1.196 1.00 10.00 C ATOM 248 CG ASP A 17 -5.703 20.702 0.157 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.578 20.409 1.006 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.799 21.541 0.392 1.00 10.00 O ATOM 0 H ASP A 17 -6.259 18.740 -3.236 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.831 20.275 -1.512 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.715 18.892 -1.023 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.778 20.194 -1.728 1.00 10.00 H new ATOM 255 N THR A 18 -6.362 22.143 -3.697 1.00 10.00 N ATOM 256 CA THR A 18 -6.313 23.507 -4.234 1.00 10.00 C ATOM 257 C THR A 18 -7.534 23.882 -5.090 1.00 10.00 C ATOM 258 O THR A 18 -7.903 25.056 -5.139 1.00 10.00 O ATOM 259 CB THR A 18 -4.989 23.745 -4.973 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.684 25.123 -5.036 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.984 23.189 -6.394 1.00 10.00 C ATOM 0 H THR A 18 -6.013 21.439 -4.348 1.00 10.00 H new ATOM 0 HA THR A 18 -6.358 24.182 -3.379 1.00 10.00 H new ATOM 0 HB THR A 18 -4.235 23.211 -4.394 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.836 25.249 -5.510 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.020 23.391 -6.860 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.155 22.113 -6.364 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.774 23.666 -6.974 1.00 10.00 H new ATOM 269 N GLY A 19 -8.203 22.909 -5.726 1.00 10.00 N ATOM 270 CA GLY A 19 -9.437 23.141 -6.492 1.00 10.00 C ATOM 271 C GLY A 19 -10.661 23.242 -5.586 1.00 10.00 C ATOM 272 O GLY A 19 -11.492 24.134 -5.759 1.00 10.00 O ATOM 0 H GLY A 19 -7.902 21.934 -5.724 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.337 24.059 -7.071 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.579 22.329 -7.205 1.00 10.00 H new ATOM 292 N ASP A 21 -10.431 24.370 -2.659 1.00 10.00 N ATOM 293 CA ASP A 21 -10.190 25.658 -2.056 1.00 10.00 C ATOM 294 C ASP A 21 -10.705 26.836 -2.884 1.00 10.00 C ATOM 295 O ASP A 21 -11.044 27.855 -2.297 1.00 10.00 O ATOM 296 CB ASP A 21 -8.724 25.731 -1.654 1.00 10.00 C ATOM 297 CG ASP A 21 -8.264 27.132 -1.217 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.503 27.505 -0.043 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.632 27.846 -2.031 1.00 10.00 O ATOM 0 HA ASP A 21 -10.788 25.755 -1.150 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.546 25.031 -0.838 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.111 25.404 -2.494 1.00 10.00 H new ATOM 304 N ASN A 22 -10.891 26.707 -4.201 1.00 10.00 N ATOM 305 CA ASN A 22 -11.602 27.720 -4.974 1.00 10.00 C ATOM 306 C ASN A 22 -13.102 27.739 -4.655 1.00 10.00 C ATOM 307 O ASN A 22 -13.766 28.767 -4.821 1.00 10.00 O ATOM 308 CB ASN A 22 -11.475 27.445 -6.477 1.00 10.00 C ATOM 309 CG ASN A 22 -10.065 27.581 -7.030 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.495 26.652 -7.583 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.465 28.748 -6.935 1.00 10.00 N ATOM 0 H ASN A 22 -10.559 25.913 -4.749 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.150 28.675 -4.705 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.835 26.436 -6.680 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.130 28.131 -7.015 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.530 28.873 -7.322 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -9.935 29.527 -6.475 1.00 10.00 H new ATOM 318 N LEU A 23 -13.651 26.597 -4.241 1.00 10.00 N ATOM 319 CA LEU A 23 -14.987 26.505 -3.697 1.00 10.00 C ATOM 320 C LEU A 23 -15.041 26.914 -2.222 1.00 10.00 C ATOM 321 O LEU A 23 -15.869 27.734 -1.851 1.00 10.00 O ATOM 322 CB LEU A 23 -15.617 25.148 -4.045 1.00 10.00 C ATOM 323 CG LEU A 23 -16.995 25.355 -4.712 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.933 26.134 -3.807 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.153 26.032 -6.072 1.00 10.00 C ATOM 0 H LEU A 23 -13.164 25.701 -4.279 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.627 27.244 -4.179 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.960 24.595 -4.716 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.728 24.548 -3.142 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.214 24.302 -4.888 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.894 26.263 -4.304 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.077 25.587 -2.875 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.502 27.111 -3.591 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.209 26.067 -6.340 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.757 27.046 -6.022 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.606 25.466 -6.826 1.00 10.00 H new ATOM 337 N GLN A 24 -14.099 26.445 -1.407 1.00 10.00 N ATOM 338 CA GLN A 24 -13.926 26.777 0.002 1.00 10.00 C ATOM 339 C GLN A 24 -13.764 28.278 0.217 1.00 10.00 C ATOM 340 O GLN A 24 -14.420 28.823 1.088 1.00 10.00 O ATOM 341 CB GLN A 24 -12.688 26.069 0.562 1.00 10.00 C ATOM 342 CG GLN A 24 -12.677 25.938 2.079 1.00 10.00 C ATOM 343 CD GLN A 24 -13.724 24.965 2.621 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.767 23.792 2.278 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.608 25.411 3.489 1.00 10.00 N ATOM 0 H GLN A 24 -13.395 25.784 -1.734 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.825 26.444 0.522 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.622 25.074 0.122 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.798 26.615 0.249 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.688 25.609 2.399 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.844 26.920 2.521 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.585 26.387 3.785 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.316 24.781 3.866 1.00 10.00 H new ATOM 354 N THR A 25 -12.926 28.958 -0.568 1.00 10.00 N ATOM 355 CA THR A 25 -12.731 30.408 -0.502 1.00 10.00 C ATOM 356 C THR A 25 -14.060 31.119 -0.720 1.00 10.00 C ATOM 357 O THR A 25 -14.489 31.924 0.095 1.00 10.00 O ATOM 358 CB THR A 25 -11.621 30.848 -1.474 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.145 32.135 -1.144 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.976 30.848 -2.957 1.00 10.00 C ATOM 0 H THR A 25 -12.353 28.508 -1.281 1.00 10.00 H new ATOM 0 HA THR A 25 -12.386 30.696 0.491 1.00 10.00 H new ATOM 0 HB THR A 25 -10.862 30.077 -1.342 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.439 32.394 -1.773 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.114 31.176 -3.538 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.258 29.841 -3.264 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.810 31.527 -3.131 1.00 10.00 H new ATOM 368 N GLN A 26 -14.796 30.674 -1.732 1.00 10.00 N ATOM 369 CA GLN A 26 -16.153 31.106 -2.038 1.00 10.00 C ATOM 370 C GLN A 26 -17.162 30.875 -0.903 1.00 10.00 C ATOM 371 O GLN A 26 -17.857 31.816 -0.511 1.00 10.00 O ATOM 372 CB GLN A 26 -16.590 30.413 -3.341 1.00 10.00 C ATOM 373 CG GLN A 26 -16.684 31.398 -4.510 1.00 10.00 C ATOM 374 CD GLN A 26 -16.960 30.687 -5.831 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.028 30.813 -6.415 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.043 29.886 -6.332 1.00 10.00 N ATOM 0 H GLN A 26 -14.449 29.974 -2.388 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.142 32.189 -2.162 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.880 29.624 -3.588 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.558 29.935 -3.191 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.477 32.120 -4.314 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.753 31.960 -4.587 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.149 29.773 -5.854 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.227 29.379 -7.198 1.00 10.00 H new ATOM 385 N VAL A 27 -17.248 29.663 -0.339 1.00 10.00 N ATOM 386 CA VAL A 27 -18.143 29.393 0.791 1.00 10.00 C ATOM 387 C VAL A 27 -17.720 30.196 2.012 1.00 10.00 C ATOM 388 O VAL A 27 -18.548 30.717 2.745 1.00 10.00 O ATOM 389 CB VAL A 27 -18.292 27.910 1.192 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.228 26.941 0.014 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.348 27.346 2.257 1.00 10.00 C ATOM 0 H VAL A 27 -16.708 28.855 -0.648 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.124 29.701 0.429 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.287 27.966 1.634 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.340 25.919 0.377 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.031 27.167 -0.687 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.267 27.044 -0.490 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.579 26.294 2.427 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.317 27.441 1.916 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.475 27.901 3.187 1.00 10.00 H new ATOM 401 N THR A 28 -16.418 30.329 2.229 1.00 10.00 N ATOM 402 CA THR A 28 -15.868 31.075 3.345 1.00 10.00 C ATOM 403 C THR A 28 -16.126 32.557 3.196 1.00 10.00 C ATOM 404 O THR A 28 -16.207 33.262 4.186 1.00 10.00 O ATOM 405 CB THR A 28 -14.364 30.911 3.494 1.00 10.00 C ATOM 406 OG1 THR A 28 -13.987 29.553 3.580 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.894 31.569 4.774 1.00 10.00 C ATOM 0 H THR A 28 -15.708 29.915 1.625 1.00 10.00 H new ATOM 0 HA THR A 28 -16.369 30.667 4.223 1.00 10.00 H new ATOM 0 HB THR A 28 -13.915 31.368 2.612 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.803 29.207 2.682 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.815 31.446 4.872 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.137 32.631 4.748 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.391 31.104 5.626 1.00 10.00 H new ATOM 415 N GLU A 29 -16.260 33.072 1.985 1.00 10.00 N ATOM 416 CA GLU A 29 -16.619 34.458 1.804 1.00 10.00 C ATOM 417 C GLU A 29 -18.132 34.675 2.011 1.00 10.00 C ATOM 418 O GLU A 29 -18.543 35.729 2.487 1.00 10.00 O ATOM 419 CB GLU A 29 -16.105 34.975 0.482 1.00 10.00 C ATOM 420 CG GLU A 29 -14.582 35.156 0.517 1.00 10.00 C ATOM 421 CD GLU A 29 -14.062 35.806 -0.782 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.151 35.182 -1.867 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.566 36.958 -0.727 1.00 10.00 O ATOM 0 H GLU A 29 -16.125 32.549 1.120 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.130 35.054 2.574 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.374 34.280 -0.314 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.583 35.927 0.249 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.307 35.775 1.371 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.102 34.188 0.658 1.00 10.00 H new ATOM 430 N ALA A 30 -18.981 33.683 1.716 1.00 10.00 N ATOM 431 CA ALA A 30 -20.387 33.696 2.122 1.00 10.00 C ATOM 432 C ALA A 30 -20.469 33.664 3.655 1.00 10.00 C ATOM 433 O ALA A 30 -21.240 34.391 4.278 1.00 10.00 O ATOM 434 CB ALA A 30 -21.103 32.479 1.525 1.00 10.00 C ATOM 0 H ALA A 30 -18.711 32.852 1.190 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.871 34.602 1.757 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.150 32.488 1.827 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.039 32.516 0.438 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.630 31.566 1.885 1.00 10.00 H new ATOM 440 N LEU A 31 -19.598 32.866 4.265 1.00 10.00 N ATOM 441 CA LEU A 31 -19.355 32.820 5.688 1.00 10.00 C ATOM 442 C LEU A 31 -18.707 34.095 6.241 1.00 10.00 C ATOM 443 O LEU A 31 -18.975 34.448 7.373 1.00 10.00 O ATOM 444 CB LEU A 31 -18.463 31.620 5.967 1.00 10.00 C ATOM 445 CG LEU A 31 -18.330 31.315 7.454 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.538 30.520 7.932 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.021 30.565 7.633 1.00 10.00 C ATOM 0 H LEU A 31 -19.018 32.205 3.748 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.317 32.735 6.193 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.868 30.746 5.456 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.473 31.804 5.549 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.309 32.221 8.059 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.435 30.306 8.996 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.445 31.101 7.765 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.600 29.583 7.378 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.881 30.324 8.687 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.047 29.644 7.050 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.195 31.188 7.291 1.00 10.00 H new ATOM 459 N ASP A 32 -17.897 34.831 5.487 1.00 10.00 N ATOM 460 CA ASP A 32 -17.371 36.133 5.892 1.00 10.00 C ATOM 461 C ASP A 32 -18.540 37.094 6.153 1.00 10.00 C ATOM 462 O ASP A 32 -18.491 37.908 7.078 1.00 10.00 O ATOM 463 CB ASP A 32 -16.357 36.644 4.847 1.00 10.00 C ATOM 464 CG ASP A 32 -15.924 38.094 5.115 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.082 38.319 6.016 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.409 39.006 4.402 1.00 10.00 O ATOM 0 H ASP A 32 -17.582 34.536 4.563 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.817 36.054 6.828 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.479 35.998 4.850 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.798 36.577 3.853 1.00 10.00 H new ATOM 471 N LYS A 33 -19.644 36.913 5.412 1.00 10.00 N ATOM 472 CA LYS A 33 -20.914 37.563 5.662 1.00 10.00 C ATOM 473 C LYS A 33 -21.628 36.917 6.853 1.00 10.00 C ATOM 474 O LYS A 33 -22.216 37.596 7.689 1.00 10.00 O ATOM 475 CB LYS A 33 -21.820 37.573 4.434 1.00 10.00 C ATOM 476 CG LYS A 33 -21.229 37.625 3.022 1.00 10.00 C ATOM 477 CD LYS A 33 -19.992 38.504 2.806 1.00 10.00 C ATOM 478 CE LYS A 33 -19.677 38.593 1.315 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.477 39.437 1.071 1.00 10.00 N ATOM 0 H LYS A 33 -19.666 36.291 4.604 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.694 38.603 5.902 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.442 36.679 4.488 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.485 38.431 4.534 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.975 36.607 2.726 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.009 37.969 2.343 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.167 39.501 3.210 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.140 38.088 3.343 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.509 37.593 0.915 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.533 39.010 0.784 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.285 39.481 0.050 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.648 40.397 1.432 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.657 39.024 1.560 1.00 10.00 H new ATOM 493 N LEU A 34 -21.644 35.586 6.924 1.00 10.00 N ATOM 494 CA LEU A 34 -22.419 34.840 7.923 1.00 10.00 C ATOM 495 C LEU A 34 -21.794 34.926 9.323 1.00 10.00 C ATOM 496 O LEU A 34 -22.442 34.721 10.334 1.00 10.00 O ATOM 497 CB LEU A 34 -22.631 33.405 7.424 1.00 10.00 C ATOM 498 CG LEU A 34 -24.043 32.837 7.642 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.245 31.662 6.726 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.441 32.263 8.980 1.00 10.00 C ATOM 0 H LEU A 34 -21.117 34.989 6.287 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.401 35.298 8.039 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.404 33.371 6.359 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.914 32.754 7.924 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.635 33.739 7.488 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.244 31.253 6.874 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.135 31.985 5.691 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.503 30.896 6.948 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.473 31.915 8.934 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.786 31.427 9.227 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.352 33.032 9.747 1.00 10.00 H new ATOM 512 N ALA A 35 -20.519 35.267 9.392 1.00 10.00 N ATOM 513 CA ALA A 35 -19.796 35.619 10.594 1.00 10.00 C ATOM 514 C ALA A 35 -20.087 37.103 10.983 1.00 10.00 C ATOM 515 O ALA A 35 -19.907 37.486 12.141 1.00 10.00 O ATOM 516 CB ALA A 35 -18.325 35.270 10.313 1.00 10.00 C ATOM 0 H ALA A 35 -19.930 35.307 8.560 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.109 35.064 11.478 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.720 35.513 11.187 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.239 34.205 10.097 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.972 35.844 9.456 1.00 10.00 H new ATOM 522 N ALA A 36 -20.559 37.931 10.029 1.00 10.00 N ATOM 523 CA ALA A 36 -20.979 39.333 10.193 1.00 10.00 C ATOM 524 C ALA A 36 -22.422 39.543 10.715 1.00 10.00 C ATOM 525 O ALA A 36 -22.626 40.248 11.709 1.00 10.00 O ATOM 526 CB ALA A 36 -20.770 40.076 8.855 1.00 10.00 C ATOM 0 H ALA A 36 -20.663 37.617 9.064 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.350 39.746 10.981 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -21.078 41.116 8.964 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.717 40.037 8.578 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.368 39.600 8.078 1.00 10.00 H new ATOM 532 N LYS A 37 -23.418 38.937 10.051 1.00 10.00 N ATOM 533 CA LYS A 37 -24.873 39.079 10.328 1.00 10.00 C ATOM 534 C LYS A 37 -25.608 37.725 10.159 1.00 10.00 C ATOM 535 O LYS A 37 -26.648 37.652 9.512 1.00 10.00 O ATOM 536 CB LYS A 37 -25.418 40.101 9.331 1.00 10.00 C ATOM 537 CG LYS A 37 -26.738 40.765 9.715 1.00 10.00 C ATOM 538 CD LYS A 37 -27.292 41.446 8.460 1.00 10.00 C ATOM 539 CE LYS A 37 -28.637 42.077 8.809 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.372 42.524 7.600 1.00 10.00 N ATOM 0 H LYS A 37 -23.234 38.306 9.271 1.00 10.00 H new ATOM 0 HA LYS A 37 -25.032 39.405 11.356 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.668 40.880 9.191 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.548 39.607 8.368 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.444 40.025 10.093 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.583 41.494 10.510 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.597 42.206 8.103 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.411 40.720 7.656 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.244 41.356 9.357 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.477 42.928 9.471 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.122 43.190 7.876 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.713 42.996 6.948 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.797 41.701 7.128 1.00 10.00 H new ATOM 554 N PRO A 38 -25.089 36.641 10.741 1.00 10.00 N ATOM 555 CA PRO A 38 -25.462 35.250 10.492 1.00 10.00 C ATOM 556 C PRO A 38 -26.780 34.879 9.841 1.00 10.00 C ATOM 557 O PRO A 38 -26.813 34.813 8.618 1.00 10.00 O ATOM 558 CB PRO A 38 -25.064 34.464 11.746 1.00 10.00 C ATOM 559 CG PRO A 38 -24.306 35.435 12.657 1.00 10.00 C ATOM 560 CD PRO A 38 -24.197 36.738 11.879 1.00 10.00 C ATOM 0 HA PRO A 38 -24.902 34.943 9.609 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.946 34.069 12.251 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.438 33.611 11.485 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.838 35.585 13.597 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.319 35.046 12.907 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.470 37.585 12.509 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.171 36.903 11.549 1.00 10.00 H new ATOM 568 N SER A 39 -27.851 34.595 10.570 1.00 10.00 N ATOM 569 CA SER A 39 -29.090 34.094 10.007 1.00 10.00 C ATOM 570 C SER A 39 -29.923 35.138 9.283 1.00 10.00 C ATOM 571 O SER A 39 -31.147 35.046 9.265 1.00 10.00 O ATOM 572 CB SER A 39 -29.829 33.181 10.970 1.00 10.00 C ATOM 573 OG SER A 39 -29.955 33.740 12.272 1.00 10.00 O ATOM 0 H SER A 39 -27.880 34.709 11.583 1.00 10.00 H new ATOM 0 HA SER A 39 -28.816 33.439 9.179 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.822 32.969 10.573 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.302 32.229 11.038 1.00 10.00 H new ATOM 0 HG SER A 39 -30.439 33.115 12.851 1.00 10.00 H new ATOM 579 N ASP A 40 -29.241 36.173 8.775 1.00 10.00 N ATOM 580 CA ASP A 40 -29.731 37.098 7.762 1.00 10.00 C ATOM 581 C ASP A 40 -29.796 36.087 6.616 1.00 10.00 C ATOM 582 O ASP A 40 -28.786 35.797 5.981 1.00 10.00 O ATOM 583 CB ASP A 40 -28.778 38.265 7.466 1.00 10.00 C ATOM 584 CG ASP A 40 -29.239 39.055 6.230 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.909 38.663 5.087 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.940 40.079 6.410 1.00 10.00 O ATOM 0 H ASP A 40 -28.292 36.392 9.077 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.647 37.635 8.009 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.731 38.929 8.329 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.770 37.883 7.303 1.00 10.00 H new ATOM 591 N PRO A 41 -30.943 35.442 6.393 1.00 10.00 N ATOM 592 CA PRO A 41 -30.983 34.268 5.540 1.00 10.00 C ATOM 593 C PRO A 41 -30.685 34.567 4.063 1.00 10.00 C ATOM 594 O PRO A 41 -30.616 33.645 3.263 1.00 10.00 O ATOM 595 CB PRO A 41 -32.399 33.759 5.705 1.00 10.00 C ATOM 596 CG PRO A 41 -33.226 35.027 5.938 1.00 10.00 C ATOM 597 CD PRO A 41 -32.276 35.977 6.642 1.00 10.00 C ATOM 0 HA PRO A 41 -30.214 33.550 5.825 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -32.735 33.221 4.819 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -32.480 33.070 6.546 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.582 35.447 4.997 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.105 34.821 6.548 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.372 36.990 6.252 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.487 36.025 7.710 1.00 10.00 H new ATOM 605 N ALA A 42 -30.528 35.830 3.671 1.00 10.00 N ATOM 606 CA ALA A 42 -30.145 36.234 2.339 1.00 10.00 C ATOM 607 C ALA A 42 -28.619 36.089 2.128 1.00 10.00 C ATOM 608 O ALA A 42 -28.209 35.387 1.199 1.00 10.00 O ATOM 609 CB ALA A 42 -30.735 37.625 2.143 1.00 10.00 C ATOM 0 H ALA A 42 -30.671 36.619 4.301 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.543 35.591 1.554 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.480 37.991 1.148 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.819 37.578 2.246 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -30.328 38.302 2.894 1.00 10.00 H new ATOM 615 N LEU A 43 -27.766 36.644 3.009 1.00 10.00 N ATOM 616 CA LEU A 43 -26.325 36.337 3.008 1.00 10.00 C ATOM 617 C LEU A 43 -26.104 34.889 3.433 1.00 10.00 C ATOM 618 O LEU A 43 -25.266 34.190 2.863 1.00 10.00 O ATOM 619 CB LEU A 43 -25.548 37.303 3.923 1.00 10.00 C ATOM 620 CG LEU A 43 -25.723 37.075 5.426 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.799 36.025 6.009 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.277 38.262 6.241 1.00 10.00 C ATOM 0 H LEU A 43 -28.050 37.307 3.730 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.944 36.469 1.995 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.487 37.228 3.683 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.856 38.322 3.690 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.782 36.822 5.485 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.989 35.926 7.078 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -24.980 35.069 5.518 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.763 36.324 5.851 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.421 38.051 7.301 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.222 38.458 6.050 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.865 39.136 5.962 1.00 10.00 H new ATOM 634 N LEU A 44 -26.855 34.436 4.444 1.00 10.00 N ATOM 635 CA LEU A 44 -26.762 33.078 4.916 1.00 10.00 C ATOM 636 C LEU A 44 -27.120 32.150 3.753 1.00 10.00 C ATOM 637 O LEU A 44 -26.394 31.199 3.562 1.00 10.00 O ATOM 638 CB LEU A 44 -27.400 32.856 6.328 1.00 10.00 C ATOM 639 CG LEU A 44 -27.903 31.429 6.383 1.00 10.00 C ATOM 640 CD1 LEU A 44 -28.380 30.695 7.569 1.00 10.00 C ATOM 641 CD2 LEU A 44 -29.083 31.307 5.510 1.00 10.00 C ATOM 0 H LEU A 44 -27.535 35.008 4.945 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.743 32.798 5.184 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.665 33.033 7.113 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.218 33.557 6.493 1.00 10.00 H new ATOM 0 HG LEU A 44 -26.931 30.985 6.168 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -28.674 29.686 7.279 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -27.582 30.642 8.309 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.238 31.214 7.997 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -29.454 30.283 5.541 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -29.862 31.986 5.855 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -28.806 31.561 4.487 1.00 10.00 H new ATOM 653 N ALA A 45 -28.176 32.338 2.955 1.00 10.00 N ATOM 654 CA ALA A 45 -28.537 31.239 2.079 1.00 10.00 C ATOM 655 C ALA A 45 -27.574 31.203 0.890 1.00 10.00 C ATOM 656 O ALA A 45 -27.473 30.181 0.225 1.00 10.00 O ATOM 657 CB ALA A 45 -30.011 31.181 1.735 1.00 10.00 C ATOM 0 H ALA A 45 -28.753 33.177 2.901 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.409 30.301 2.619 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.198 30.332 1.077 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.594 31.067 2.649 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.303 32.102 1.231 1.00 10.00 H new ATOM 663 N ALA A 46 -26.865 32.307 0.613 1.00 10.00 N ATOM 664 CA ALA A 46 -25.741 32.313 -0.302 1.00 10.00 C ATOM 665 C ALA A 46 -24.637 31.391 0.259 1.00 10.00 C ATOM 666 O ALA A 46 -24.004 30.661 -0.495 1.00 10.00 O ATOM 667 CB ALA A 46 -25.251 33.743 -0.516 1.00 10.00 C ATOM 0 H ALA A 46 -27.065 33.218 1.025 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.039 31.930 -1.278 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.406 33.739 -1.205 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.057 34.345 -0.934 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -24.939 34.167 0.438 1.00 10.00 H new ATOM 673 N TYR A 47 -24.448 31.349 1.585 1.00 10.00 N ATOM 674 CA TYR A 47 -23.620 30.352 2.261 1.00 10.00 C ATOM 675 C TYR A 47 -24.218 28.982 2.085 1.00 10.00 C ATOM 676 O TYR A 47 -23.543 28.115 1.557 1.00 10.00 O ATOM 677 CB TYR A 47 -23.497 30.605 3.762 1.00 10.00 C ATOM 678 CG TYR A 47 -22.528 29.675 4.488 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.182 29.583 4.103 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.011 28.792 5.475 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.326 28.630 4.690 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.161 27.850 6.084 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.813 27.758 5.686 1.00 10.00 C ATOM 684 OH TYR A 47 -19.997 26.832 6.259 1.00 10.00 O ATOM 0 H TYR A 47 -24.875 32.019 2.224 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.631 30.422 1.809 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.177 31.635 3.918 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.483 30.506 4.215 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.797 30.251 3.347 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.049 28.839 5.768 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.294 28.567 4.377 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.542 27.198 6.856 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.501 26.319 6.925 1.00 10.00 H new ATOM 694 N GLN A 48 -25.492 28.819 2.451 1.00 10.00 N ATOM 695 CA GLN A 48 -26.238 27.573 2.348 1.00 10.00 C ATOM 696 C GLN A 48 -26.218 27.014 0.903 1.00 10.00 C ATOM 697 O GLN A 48 -26.269 25.804 0.684 1.00 10.00 O ATOM 698 CB GLN A 48 -27.649 27.700 2.944 1.00 10.00 C ATOM 699 CG GLN A 48 -27.740 28.183 4.379 1.00 10.00 C ATOM 700 CD GLN A 48 -27.109 27.252 5.415 1.00 10.00 C ATOM 701 OE1 GLN A 48 -26.142 27.583 6.081 1.00 10.00 O ATOM 702 NE2 GLN A 48 -27.636 26.061 5.611 1.00 10.00 N ATOM 0 H GLN A 48 -26.047 29.581 2.840 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.731 26.827 2.960 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.223 28.383 2.318 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -28.134 26.726 2.881 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.260 29.159 4.449 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.790 28.326 4.633 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.445 25.765 5.065 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -27.235 25.435 6.309 1.00 10.00 H new ATOM 711 N SER A 49 -26.052 27.905 -0.082 1.00 10.00 N ATOM 712 CA SER A 49 -25.819 27.627 -1.489 1.00 10.00 C ATOM 713 C SER A 49 -24.386 27.217 -1.779 1.00 10.00 C ATOM 714 O SER A 49 -24.164 26.162 -2.359 1.00 10.00 O ATOM 715 CB SER A 49 -26.127 28.866 -2.364 1.00 10.00 C ATOM 716 OG SER A 49 -27.517 29.136 -2.370 1.00 10.00 O ATOM 0 H SER A 49 -26.080 28.907 0.105 1.00 10.00 H new ATOM 0 HA SER A 49 -26.488 26.801 -1.732 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.584 29.731 -1.983 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.779 28.694 -3.383 1.00 10.00 H new ATOM 0 HG SER A 49 -27.777 29.533 -1.513 1.00 10.00 H new ATOM 722 N LYS A 50 -23.396 28.017 -1.378 1.00 10.00 N ATOM 723 CA LYS A 50 -21.973 27.766 -1.625 1.00 10.00 C ATOM 724 C LYS A 50 -21.480 26.492 -0.942 1.00 10.00 C ATOM 725 O LYS A 50 -20.711 25.747 -1.528 1.00 10.00 O ATOM 726 CB LYS A 50 -21.176 29.026 -1.244 1.00 10.00 C ATOM 727 CG LYS A 50 -21.514 30.191 -2.194 1.00 10.00 C ATOM 728 CD LYS A 50 -20.404 30.483 -3.190 1.00 10.00 C ATOM 729 CE LYS A 50 -20.091 29.314 -4.129 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.439 29.625 -5.543 1.00 10.00 N ATOM 0 H LYS A 50 -23.565 28.879 -0.860 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.813 27.574 -2.686 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.404 29.310 -0.217 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.108 28.814 -1.286 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.430 29.957 -2.737 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.712 31.087 -1.606 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.684 31.351 -3.787 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.499 30.750 -2.644 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.031 29.069 -4.062 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.643 28.432 -3.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.455 28.746 -6.098 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.376 30.075 -5.579 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.729 30.272 -5.941 1.00 10.00 H new ATOM 744 N LEU A 51 -22.011 26.203 0.236 1.00 10.00 N ATOM 745 CA LEU A 51 -21.932 24.983 1.033 1.00 10.00 C ATOM 746 C LEU A 51 -22.336 23.763 0.196 1.00 10.00 C ATOM 747 O LEU A 51 -21.658 22.736 0.211 1.00 10.00 O ATOM 748 CB LEU A 51 -22.894 25.309 2.203 1.00 10.00 C ATOM 749 CG LEU A 51 -23.392 24.227 3.166 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.037 24.938 4.357 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.489 23.348 2.558 1.00 10.00 C ATOM 0 H LEU A 51 -22.577 26.903 0.716 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.937 24.717 1.390 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.404 26.070 2.810 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.778 25.771 1.764 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.539 23.600 3.425 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.405 24.197 5.067 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.298 25.573 4.845 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.868 25.551 4.008 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.802 22.600 3.287 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.343 23.968 2.285 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -24.104 22.849 1.669 1.00 10.00 H new ATOM 763 N SER A 52 -23.400 23.901 -0.594 1.00 10.00 N ATOM 764 CA SER A 52 -23.825 22.906 -1.566 1.00 10.00 C ATOM 765 C SER A 52 -22.972 22.912 -2.833 1.00 10.00 C ATOM 766 O SER A 52 -22.579 21.849 -3.301 1.00 10.00 O ATOM 767 CB SER A 52 -25.287 23.103 -1.961 1.00 10.00 C ATOM 768 OG SER A 52 -26.155 23.084 -0.836 1.00 10.00 O ATOM 0 H SER A 52 -24.000 24.726 -0.572 1.00 10.00 H new ATOM 0 HA SER A 52 -23.699 21.943 -1.071 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.395 24.053 -2.485 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.582 22.319 -2.658 1.00 10.00 H new ATOM 0 HG SER A 52 -26.134 23.957 -0.392 1.00 10.00 H new ATOM 774 N GLU A 53 -22.616 24.084 -3.366 1.00 10.00 N ATOM 775 CA GLU A 53 -21.751 24.212 -4.533 1.00 10.00 C ATOM 776 C GLU A 53 -20.375 23.575 -4.303 1.00 10.00 C ATOM 777 O GLU A 53 -19.740 23.095 -5.234 1.00 10.00 O ATOM 778 CB GLU A 53 -21.454 25.650 -4.929 1.00 10.00 C ATOM 779 CG GLU A 53 -22.477 26.603 -5.508 1.00 10.00 C ATOM 780 CD GLU A 53 -23.273 26.018 -6.690 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.694 25.861 -7.791 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.485 25.742 -6.529 1.00 10.00 O ATOM 0 H GLU A 53 -22.927 24.980 -2.991 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.318 23.709 -5.317 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.059 26.135 -4.036 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.640 25.603 -5.652 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.174 26.895 -4.722 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.970 27.510 -5.837 1.00 10.00 H new ATOM 789 N TYR A 54 -19.887 23.596 -3.068 1.00 10.00 N ATOM 790 CA TYR A 54 -18.643 22.966 -2.666 1.00 10.00 C ATOM 791 C TYR A 54 -18.774 21.437 -2.706 1.00 10.00 C ATOM 792 O TYR A 54 -17.870 20.751 -3.190 1.00 10.00 O ATOM 793 CB TYR A 54 -18.170 23.570 -1.336 1.00 10.00 C ATOM 794 CG TYR A 54 -17.609 22.582 -0.372 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.371 22.001 -0.668 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.335 22.210 0.767 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.871 20.998 0.163 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.832 21.212 1.610 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.597 20.585 1.305 1.00 10.00 C ATOM 800 OH TYR A 54 -16.110 19.583 2.089 1.00 10.00 O ATOM 0 H TYR A 54 -20.363 24.067 -2.299 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.843 23.178 -3.376 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.413 24.326 -1.544 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -19.010 24.081 -0.865 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.808 22.326 -1.531 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.276 22.690 0.993 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.923 20.534 -0.067 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.384 20.920 2.491 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.727 19.421 2.833 1.00 10.00 H new ATOM 843 N TYR A 57 -18.553 20.892 -6.335 1.00 10.00 N ATOM 844 CA TYR A 57 -17.137 20.825 -6.677 1.00 10.00 C ATOM 845 C TYR A 57 -16.663 19.371 -6.461 1.00 10.00 C ATOM 846 O TYR A 57 -16.027 18.768 -7.323 1.00 10.00 O ATOM 847 CB TYR A 57 -16.287 21.881 -5.941 1.00 10.00 C ATOM 848 CG TYR A 57 -14.845 21.423 -5.877 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.490 20.500 -4.879 1.00 10.00 C ATOM 850 CD2 TYR A 57 -13.969 21.673 -6.951 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.307 19.753 -4.994 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.755 20.964 -7.044 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.433 19.985 -6.077 1.00 10.00 C ATOM 854 OH TYR A 57 -11.296 19.250 -6.203 1.00 10.00 O ATOM 0 HA TYR A 57 -16.998 21.085 -7.726 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.352 22.838 -6.458 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.674 22.036 -4.934 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -15.130 20.365 -4.020 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.227 22.406 -7.701 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -13.067 19.003 -4.255 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.071 21.169 -7.854 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.808 19.536 -7.003 1.00 10.00 H new ATOM 864 N ARG A 58 -17.071 18.778 -5.330 1.00 10.00 N ATOM 865 CA ARG A 58 -16.846 17.385 -4.928 1.00 10.00 C ATOM 866 C ARG A 58 -17.439 16.398 -5.940 1.00 10.00 C ATOM 867 O ARG A 58 -16.787 15.425 -6.318 1.00 10.00 O ATOM 868 CB ARG A 58 -17.485 17.202 -3.527 1.00 10.00 C ATOM 869 CG ARG A 58 -16.625 16.552 -2.445 1.00 10.00 C ATOM 870 CD ARG A 58 -15.616 17.561 -1.877 1.00 10.00 C ATOM 871 NE ARG A 58 -14.906 17.034 -0.692 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.998 16.075 -0.640 1.00 10.00 C ATOM 873 NH1 ARG A 58 -13.574 15.449 -1.702 1.00 10.00 N ATOM 874 NH2 ARG A 58 -13.483 15.727 0.503 1.00 10.00 N ATOM 0 H ARG A 58 -17.601 19.293 -4.627 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.777 17.174 -4.894 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.796 18.183 -3.167 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.389 16.604 -3.644 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -17.262 16.176 -1.644 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -16.095 15.695 -2.860 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.890 17.820 -2.648 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -16.136 18.480 -1.608 1.00 10.00 H new ATOM 0 HE ARG A 58 -15.148 17.466 0.200 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -13.945 15.694 -2.620 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -12.871 14.715 -1.615 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -13.780 16.194 1.360 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.782 14.987 0.542 1.00 10.00 H new ATOM 888 N ASN A 59 -18.652 16.688 -6.414 1.00 10.00 N ATOM 889 CA ASN A 59 -19.379 15.912 -7.416 1.00 10.00 C ATOM 890 C ASN A 59 -18.677 15.951 -8.781 1.00 10.00 C ATOM 891 O ASN A 59 -18.464 14.923 -9.423 1.00 10.00 O ATOM 892 CB ASN A 59 -20.828 16.434 -7.536 1.00 10.00 C ATOM 893 CG ASN A 59 -21.724 15.451 -8.277 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.755 14.261 -7.995 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.478 15.905 -9.253 1.00 10.00 N ATOM 0 H ASN A 59 -19.175 17.504 -6.096 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.399 14.872 -7.089 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.233 16.615 -6.540 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.828 17.391 -8.059 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.083 15.267 -9.769 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.458 16.896 -9.494 1.00 10.00 H new ATOM 902 N ALA A 60 -18.266 17.150 -9.193 1.00 10.00 N ATOM 903 CA ALA A 60 -17.492 17.418 -10.392 1.00 10.00 C ATOM 904 C ALA A 60 -16.136 16.709 -10.332 1.00 10.00 C ATOM 905 O ALA A 60 -15.751 16.070 -11.307 1.00 10.00 O ATOM 906 CB ALA A 60 -17.367 18.935 -10.573 1.00 10.00 C ATOM 0 H ALA A 60 -18.478 17.999 -8.669 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.001 17.017 -11.268 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.787 19.148 -11.471 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.360 19.373 -10.670 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.864 19.365 -9.706 1.00 10.00 H new ATOM 912 N GLN A 61 -15.489 16.677 -9.160 1.00 10.00 N ATOM 913 CA GLN A 61 -14.296 15.882 -8.849 1.00 10.00 C ATOM 914 C GLN A 61 -14.554 14.375 -8.625 1.00 10.00 C ATOM 915 O GLN A 61 -13.806 13.657 -7.961 1.00 10.00 O ATOM 916 CB GLN A 61 -13.501 16.519 -7.721 1.00 10.00 C ATOM 917 CG GLN A 61 -11.996 16.177 -7.858 1.00 10.00 C ATOM 918 CD GLN A 61 -11.221 17.073 -8.831 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.704 18.053 -9.383 1.00 10.00 O ATOM 920 NE2 GLN A 61 -9.970 16.759 -9.094 1.00 10.00 N ATOM 0 H GLN A 61 -15.800 17.233 -8.363 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.685 15.901 -9.751 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.637 17.600 -7.738 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.874 16.165 -6.760 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.531 16.245 -6.874 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.901 15.142 -8.185 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -9.543 15.947 -8.647 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.427 17.327 -9.744 1.00 10.00 H new ATOM 929 N SER A 62 -15.648 13.905 -9.203 1.00 10.00 N ATOM 930 CA SER A 62 -16.055 12.516 -9.380 1.00 10.00 C ATOM 931 C SER A 62 -16.712 12.306 -10.758 1.00 10.00 C ATOM 932 O SER A 62 -17.280 11.254 -11.054 1.00 10.00 O ATOM 933 CB SER A 62 -16.963 12.111 -8.226 1.00 10.00 C ATOM 934 OG SER A 62 -16.936 10.705 -8.031 1.00 10.00 O ATOM 0 H SER A 62 -16.339 14.544 -9.597 1.00 10.00 H new ATOM 0 HA SER A 62 -15.179 11.867 -9.362 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.645 12.615 -7.313 1.00 10.00 H new ATOM 0 HB3 SER A 62 -17.984 12.435 -8.430 1.00 10.00 H new ATOM 0 HG SER A 62 -17.525 10.467 -7.284 1.00 10.00 H new ATOM 940 N ASN A 63 -16.573 13.312 -11.633 1.00 10.00 N ATOM 941 CA ASN A 63 -17.069 13.385 -12.995 1.00 10.00 C ATOM 942 C ASN A 63 -15.916 13.612 -13.964 1.00 10.00 C ATOM 943 O ASN A 63 -15.715 12.842 -14.891 1.00 10.00 O ATOM 944 CB ASN A 63 -18.118 14.509 -13.069 1.00 10.00 C ATOM 945 CG ASN A 63 -19.231 14.251 -14.077 1.00 10.00 C ATOM 946 OD1 ASN A 63 -19.182 13.349 -14.902 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.276 15.045 -14.046 1.00 10.00 N ATOM 0 H ASN A 63 -16.068 14.160 -11.375 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.542 12.446 -13.283 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.560 14.645 -12.082 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.618 15.443 -13.326 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -21.041 14.908 -14.707 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.323 15.799 -13.361 1.00 10.00 H new ATOM 954 N THR A 64 -15.071 14.591 -13.656 1.00 10.00 N ATOM 955 CA THR A 64 -13.773 14.866 -14.291 1.00 10.00 C ATOM 956 C THR A 64 -12.889 13.618 -14.400 1.00 10.00 C ATOM 957 O THR A 64 -12.358 13.255 -15.444 1.00 10.00 O ATOM 958 CB THR A 64 -13.106 15.991 -13.500 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.945 16.473 -14.126 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.778 15.590 -12.067 1.00 10.00 C ATOM 0 H THR A 64 -15.281 15.257 -12.913 1.00 10.00 H new ATOM 0 HA THR A 64 -13.927 15.178 -15.324 1.00 10.00 H new ATOM 0 HB THR A 64 -13.845 16.792 -13.472 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.295 15.745 -14.215 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.306 16.428 -11.554 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.696 15.316 -11.547 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.097 14.739 -12.074 1.00 10.00 H new ATOM 968 N VAL A 65 -12.908 12.859 -13.314 1.00 10.00 N ATOM 969 CA VAL A 65 -12.335 11.537 -13.055 1.00 10.00 C ATOM 970 C VAL A 65 -12.774 10.458 -14.066 1.00 10.00 C ATOM 971 O VAL A 65 -12.064 9.483 -14.308 1.00 10.00 O ATOM 972 CB VAL A 65 -12.788 11.138 -11.631 1.00 10.00 C ATOM 973 CG1 VAL A 65 -11.839 10.132 -10.986 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.882 12.305 -10.650 1.00 10.00 C ATOM 0 H VAL A 65 -13.389 13.198 -12.481 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.251 11.598 -13.154 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.779 10.717 -11.799 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.198 9.882 -9.988 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.799 9.228 -11.594 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.842 10.566 -10.915 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.206 11.937 -9.677 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.905 12.778 -10.552 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.602 13.034 -11.020 1.00 10.00 H new ATOM 984 N LYS A 66 -13.946 10.669 -14.676 1.00 10.00 N ATOM 985 CA LYS A 66 -14.667 9.864 -15.665 1.00 10.00 C ATOM 986 C LYS A 66 -14.889 10.629 -16.989 1.00 10.00 C ATOM 987 O LYS A 66 -15.612 10.179 -17.876 1.00 10.00 O ATOM 988 CB LYS A 66 -16.012 9.442 -15.036 1.00 10.00 C ATOM 989 CG LYS A 66 -15.981 8.207 -14.120 1.00 10.00 C ATOM 990 CD LYS A 66 -15.432 8.479 -12.711 1.00 10.00 C ATOM 991 CE LYS A 66 -15.808 7.334 -11.761 1.00 10.00 C ATOM 992 NZ LYS A 66 -15.447 7.644 -10.351 1.00 10.00 N ATOM 0 H LYS A 66 -14.475 11.514 -14.460 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.073 8.987 -15.922 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.400 10.284 -14.462 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.721 9.252 -15.842 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -16.992 7.808 -14.033 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.373 7.435 -14.591 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.348 8.586 -12.750 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.832 9.420 -12.333 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -16.879 7.143 -11.828 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -15.301 6.421 -12.074 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -15.717 6.847 -9.740 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -14.421 7.802 -10.282 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -15.950 8.501 -10.044 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.210 11.764 -17.149 1.00 10.00 N ATOM 1007 CA VAL A 67 -14.096 12.614 -18.329 1.00 10.00 C ATOM 1008 C VAL A 67 -12.694 12.521 -18.897 1.00 10.00 C ATOM 1009 O VAL A 67 -12.520 12.560 -20.107 1.00 10.00 O ATOM 1010 CB VAL A 67 -14.486 14.032 -17.933 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.975 15.146 -18.826 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.999 14.068 -17.830 1.00 10.00 C ATOM 0 H VAL A 67 -13.671 12.149 -16.373 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.770 12.287 -19.121 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.994 14.242 -16.983 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -14.318 16.107 -18.442 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.885 15.129 -18.841 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -14.354 15.004 -19.838 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -16.321 15.070 -17.547 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -16.436 13.805 -18.793 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.329 13.354 -17.075 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.700 12.238 -18.058 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.345 11.853 -18.440 1.00 10.00 C ATOM 1024 C PHE A 68 -10.317 10.349 -18.852 1.00 10.00 C ATOM 1025 O PHE A 68 -9.436 9.555 -18.516 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.425 12.146 -17.267 1.00 10.00 C ATOM 1027 CG PHE A 68 -9.251 13.608 -16.893 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.896 14.566 -17.865 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.414 14.009 -15.554 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -8.739 15.917 -17.503 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -9.262 15.358 -15.193 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.927 16.315 -16.167 1.00 10.00 C ATOM 0 H PHE A 68 -11.824 12.273 -17.046 1.00 10.00 H new ATOM 0 HA PHE A 68 -10.003 12.423 -19.304 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.803 11.613 -16.395 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.442 11.732 -17.492 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -8.744 14.262 -18.890 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.657 13.275 -14.800 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -8.474 16.649 -18.252 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.403 15.660 -14.166 1.00 10.00 H new ATOM 0 HZ PHE A 68 -8.814 17.353 -15.890 1.00 10.00 H new