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 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -165:sc= 0.922 (180deg=0.774) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.2 K(o=1.9,f=-2.7) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -167:sc= 0.658 (180deg=-0.0569) 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+ 156:sc= 1.23 (180deg=0.793) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00121 X(o=-0.0012,f=-0.0012) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 73:sc= 0.31 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 123:sc= 0.104 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 61 GLN : amide:sc= 0.378 X(o=0.38,f=-0.11) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -67:sc= 0.523 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -11.206 8.512 8.259 1.00 10.00 N ATOM 59 CA TRP A 5 -10.830 9.551 7.287 1.00 10.00 C ATOM 60 C TRP A 5 -9.674 10.438 7.768 1.00 10.00 C ATOM 61 O TRP A 5 -8.833 10.841 6.969 1.00 10.00 O ATOM 62 CB TRP A 5 -12.069 10.389 6.937 1.00 10.00 C ATOM 63 CG TRP A 5 -12.754 11.046 8.099 1.00 10.00 C ATOM 64 CD1 TRP A 5 -12.510 12.299 8.548 1.00 10.00 C ATOM 65 CD2 TRP A 5 -13.774 10.495 8.991 1.00 10.00 C ATOM 66 NE1 TRP A 5 -13.294 12.557 9.656 1.00 10.00 N ATOM 67 CE2 TRP A 5 -14.085 11.476 9.983 1.00 10.00 C ATOM 68 CE3 TRP A 5 -14.464 9.263 9.072 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -15.016 11.246 11.005 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -15.400 9.020 10.098 1.00 10.00 C ATOM 71 CH2 TRP A 5 -15.675 10.006 11.064 1.00 10.00 C ATOM 0 HA TRP A 5 -10.460 9.050 6.392 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -11.775 11.162 6.227 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -12.789 9.747 6.429 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -11.809 12.992 8.107 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -13.288 13.439 10.169 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -14.271 8.496 8.336 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -15.224 12.012 11.738 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -15.910 8.069 10.143 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -16.391 9.810 11.849 1.00 10.00 H new ATOM 82 N SER A 6 -9.570 10.673 9.077 1.00 10.00 N ATOM 83 CA SER A 6 -8.462 11.387 9.729 1.00 10.00 C ATOM 84 C SER A 6 -7.084 10.718 9.565 1.00 10.00 C ATOM 85 O SER A 6 -6.060 11.399 9.651 1.00 10.00 O ATOM 86 CB SER A 6 -8.784 11.559 11.217 1.00 10.00 C ATOM 87 OG SER A 6 -9.040 10.299 11.825 1.00 10.00 O ATOM 0 H SER A 6 -10.280 10.361 9.740 1.00 10.00 H new ATOM 0 HA SER A 6 -8.379 12.351 9.226 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.950 12.049 11.720 1.00 10.00 H new ATOM 0 HB3 SER A 6 -9.652 12.208 11.334 1.00 10.00 H new ATOM 0 HG SER A 6 -9.242 10.429 12.775 1.00 10.00 H new ATOM 93 N GLY A 7 -7.039 9.413 9.268 1.00 10.00 N ATOM 94 CA GLY A 7 -5.814 8.646 8.993 1.00 10.00 C ATOM 95 C GLY A 7 -5.409 8.602 7.510 1.00 10.00 C ATOM 96 O GLY A 7 -4.339 8.086 7.182 1.00 10.00 O ATOM 0 H GLY A 7 -7.882 8.842 9.210 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -4.994 9.076 9.568 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -5.952 7.625 9.349 1.00 10.00 H new ATOM 100 N TYR A 8 -6.244 9.157 6.622 1.00 10.00 N ATOM 101 CA TYR A 8 -6.110 9.161 5.164 1.00 10.00 C ATOM 102 C TYR A 8 -6.388 10.543 4.536 1.00 10.00 C ATOM 103 O TYR A 8 -6.479 10.688 3.314 1.00 10.00 O ATOM 104 CB TYR A 8 -7.024 8.068 4.585 1.00 10.00 C ATOM 105 CG TYR A 8 -6.525 6.658 4.847 1.00 10.00 C ATOM 106 CD1 TYR A 8 -5.626 6.058 3.943 1.00 10.00 C ATOM 107 CD2 TYR A 8 -6.916 5.963 6.011 1.00 10.00 C ATOM 108 CE1 TYR A 8 -5.116 4.771 4.201 1.00 10.00 C ATOM 109 CE2 TYR A 8 -6.393 4.683 6.281 1.00 10.00 C ATOM 110 CZ TYR A 8 -5.493 4.082 5.374 1.00 10.00 C ATOM 111 OH TYR A 8 -4.981 2.845 5.624 1.00 10.00 O ATOM 0 H TYR A 8 -7.086 9.647 6.926 1.00 10.00 H new ATOM 0 HA TYR A 8 -5.073 8.943 4.910 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -8.021 8.177 5.011 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -7.119 8.217 3.509 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -5.327 6.587 3.050 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -7.618 6.413 6.697 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -4.435 4.310 3.500 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -6.681 4.161 7.182 1.00 10.00 H new ATOM 0 HH TYR A 8 -5.339 2.508 6.472 1.00 10.00 H new ATOM 121 N LEU A 9 -6.528 11.576 5.373 1.00 10.00 N ATOM 122 CA LEU A 9 -6.914 12.933 4.991 1.00 10.00 C ATOM 123 C LEU A 9 -6.005 13.535 3.912 1.00 10.00 C ATOM 124 O LEU A 9 -6.487 14.114 2.940 1.00 10.00 O ATOM 125 CB LEU A 9 -6.955 13.795 6.269 1.00 10.00 C ATOM 126 CG LEU A 9 -7.225 15.291 6.029 1.00 10.00 C ATOM 127 CD1 LEU A 9 -8.497 15.522 5.218 1.00 10.00 C ATOM 128 CD2 LEU A 9 -7.359 16.024 7.363 1.00 10.00 C ATOM 0 H LEU A 9 -6.368 11.483 6.376 1.00 10.00 H new ATOM 0 HA LEU A 9 -7.902 12.906 4.531 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -7.727 13.402 6.931 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -6.004 13.691 6.791 1.00 10.00 H new ATOM 0 HG LEU A 9 -6.378 15.679 5.464 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -8.647 16.592 5.073 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -8.403 15.034 4.248 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -9.350 15.105 5.753 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -7.550 17.081 7.180 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -8.187 15.599 7.930 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -6.436 15.915 7.932 1.00 10.00 H new ATOM 140 N ASP A 10 -4.696 13.337 4.031 1.00 10.00 N ATOM 141 CA ASP A 10 -3.699 13.821 3.068 1.00 10.00 C ATOM 142 C ASP A 10 -3.715 13.092 1.701 1.00 10.00 C ATOM 143 O ASP A 10 -2.845 13.318 0.859 1.00 10.00 O ATOM 144 CB ASP A 10 -2.307 13.811 3.724 1.00 10.00 C ATOM 145 CG ASP A 10 -1.763 12.390 3.961 1.00 10.00 C ATOM 146 OD1 ASP A 10 -2.345 11.649 4.789 1.00 10.00 O ATOM 147 OD2 ASP A 10 -0.732 12.019 3.348 1.00 10.00 O ATOM 0 H ASP A 10 -4.285 12.826 4.813 1.00 10.00 H new ATOM 0 HA ASP A 10 -3.972 14.845 2.814 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -1.610 14.360 3.091 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -2.357 14.339 4.677 1.00 10.00 H new ATOM 152 N ASP A 11 -4.708 12.230 1.473 1.00 10.00 N ATOM 153 CA ASP A 11 -5.049 11.624 0.183 1.00 10.00 C ATOM 154 C ASP A 11 -6.461 12.071 -0.206 1.00 10.00 C ATOM 155 O ASP A 11 -6.661 12.685 -1.249 1.00 10.00 O ATOM 156 CB ASP A 11 -4.924 10.093 0.227 1.00 10.00 C ATOM 157 CG ASP A 11 -5.211 9.476 -1.154 1.00 10.00 C ATOM 158 OD1 ASP A 11 -6.401 9.299 -1.513 1.00 10.00 O ATOM 159 OD2 ASP A 11 -4.249 9.176 -1.898 1.00 10.00 O ATOM 0 H ASP A 11 -5.328 11.920 2.221 1.00 10.00 H new ATOM 0 HA ASP A 11 -4.344 11.961 -0.577 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -3.921 9.816 0.552 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -5.620 9.689 0.962 1.00 10.00 H new ATOM 164 N VAL A 12 -7.419 11.854 0.690 1.00 10.00 N ATOM 165 CA VAL A 12 -8.858 12.049 0.495 1.00 10.00 C ATOM 166 C VAL A 12 -9.246 13.507 0.287 1.00 10.00 C ATOM 167 O VAL A 12 -10.124 13.806 -0.520 1.00 10.00 O ATOM 168 CB VAL A 12 -9.565 11.471 1.736 1.00 10.00 C ATOM 169 CG1 VAL A 12 -11.034 11.882 1.866 1.00 10.00 C ATOM 170 CG2 VAL A 12 -9.429 9.944 1.708 1.00 10.00 C ATOM 0 H VAL A 12 -7.202 11.517 1.628 1.00 10.00 H new ATOM 0 HA VAL A 12 -9.164 11.538 -0.418 1.00 10.00 H new ATOM 0 HB VAL A 12 -9.075 11.890 2.615 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -11.459 11.434 2.764 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -11.103 12.968 1.934 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -11.587 11.537 0.992 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -9.925 9.519 2.581 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -9.892 9.554 0.802 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -8.373 9.672 1.722 1.00 10.00 H new ATOM 180 N SER A 13 -8.590 14.417 0.999 1.00 10.00 N ATOM 181 CA SER A 13 -8.702 15.851 0.772 1.00 10.00 C ATOM 182 C SER A 13 -7.760 16.313 -0.325 1.00 10.00 C ATOM 183 O SER A 13 -8.151 17.072 -1.213 1.00 10.00 O ATOM 184 CB SER A 13 -8.401 16.605 2.062 1.00 10.00 C ATOM 185 OG SER A 13 -8.505 18.006 1.872 1.00 10.00 O ATOM 0 H SER A 13 -7.957 14.174 1.761 1.00 10.00 H new ATOM 0 HA SER A 13 -9.723 16.063 0.453 1.00 10.00 H new ATOM 0 HB2 SER A 13 -9.094 16.288 2.842 1.00 10.00 H new ATOM 0 HB3 SER A 13 -7.398 16.355 2.407 1.00 10.00 H new ATOM 0 HG SER A 13 -8.309 18.466 2.715 1.00 10.00 H new ATOM 191 N ALA A 14 -6.520 15.817 -0.305 1.00 10.00 N ATOM 192 CA ALA A 14 -5.473 16.327 -1.179 1.00 10.00 C ATOM 193 C ALA A 14 -5.804 16.155 -2.685 1.00 10.00 C ATOM 194 O ALA A 14 -5.493 17.016 -3.509 1.00 10.00 O ATOM 195 CB ALA A 14 -4.143 15.676 -0.818 1.00 10.00 C ATOM 0 H ALA A 14 -6.221 15.061 0.311 1.00 10.00 H new ATOM 0 HA ALA A 14 -5.401 17.403 -1.017 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -3.361 16.059 -1.473 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -3.894 15.907 0.218 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -4.222 14.596 -0.940 1.00 10.00 H new ATOM 201 N LYS A 15 -6.521 15.068 -3.006 1.00 10.00 N ATOM 202 CA LYS A 15 -7.177 14.690 -4.274 1.00 10.00 C ATOM 203 C LYS A 15 -8.166 15.727 -4.851 1.00 10.00 C ATOM 204 O LYS A 15 -8.581 15.621 -6.010 1.00 10.00 O ATOM 205 CB LYS A 15 -7.806 13.318 -3.959 1.00 10.00 C ATOM 206 CG LYS A 15 -8.667 12.600 -5.002 1.00 10.00 C ATOM 207 CD LYS A 15 -8.825 11.116 -4.618 1.00 10.00 C ATOM 208 CE LYS A 15 -7.547 10.308 -4.907 1.00 10.00 C ATOM 209 NZ LYS A 15 -7.470 9.064 -4.097 1.00 10.00 N ATOM 0 H LYS A 15 -6.675 14.346 -2.302 1.00 10.00 H new ATOM 0 HA LYS A 15 -6.459 14.646 -5.093 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -6.991 12.644 -3.695 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -8.419 13.442 -3.066 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -9.646 13.074 -5.067 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -8.206 12.683 -5.986 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -9.071 11.039 -3.559 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -9.660 10.685 -5.171 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -7.514 10.052 -5.966 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -6.674 10.927 -4.701 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -6.858 8.374 -4.578 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -7.075 9.283 -3.160 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -8.423 8.663 -3.985 1.00 10.00 H new ATOM 223 N PHE A 16 -8.504 16.755 -4.072 1.00 10.00 N ATOM 224 CA PHE A 16 -9.415 17.847 -4.394 1.00 10.00 C ATOM 225 C PHE A 16 -8.879 19.243 -4.001 1.00 10.00 C ATOM 226 O PHE A 16 -9.300 20.234 -4.591 1.00 10.00 O ATOM 227 CB PHE A 16 -10.745 17.632 -3.640 1.00 10.00 C ATOM 228 CG PHE A 16 -11.491 16.324 -3.837 1.00 10.00 C ATOM 229 CD1 PHE A 16 -11.055 15.155 -3.188 1.00 10.00 C ATOM 230 CD2 PHE A 16 -12.696 16.295 -4.563 1.00 10.00 C ATOM 231 CE1 PHE A 16 -11.792 13.963 -3.290 1.00 10.00 C ATOM 232 CE2 PHE A 16 -13.435 15.102 -4.670 1.00 10.00 C ATOM 233 CZ PHE A 16 -12.982 13.934 -4.036 1.00 10.00 C ATOM 0 H PHE A 16 -8.119 16.850 -3.132 1.00 10.00 H new ATOM 0 HA PHE A 16 -9.539 17.830 -5.477 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -10.542 17.740 -2.574 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.418 18.442 -3.920 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -10.145 15.174 -2.606 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.056 17.194 -5.041 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -11.443 13.069 -2.795 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -14.352 15.085 -5.241 1.00 10.00 H new ATOM 0 HZ PHE A 16 -13.546 13.017 -4.122 1.00 10.00 H new ATOM 243 N ASP A 17 -7.950 19.318 -3.041 1.00 10.00 N ATOM 244 CA ASP A 17 -7.449 20.499 -2.321 1.00 10.00 C ATOM 245 C ASP A 17 -7.535 21.856 -3.025 1.00 10.00 C ATOM 246 O ASP A 17 -8.309 22.717 -2.619 1.00 10.00 O ATOM 247 CB ASP A 17 -6.030 20.214 -1.808 1.00 10.00 C ATOM 248 CG ASP A 17 -5.442 21.400 -1.023 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.875 21.640 0.128 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.536 22.085 -1.554 1.00 10.00 O ATOM 0 H ASP A 17 -7.483 18.471 -2.716 1.00 10.00 H new ATOM 0 HA ASP A 17 -8.153 20.635 -1.500 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -6.048 19.331 -1.169 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.381 19.983 -2.652 1.00 10.00 H new ATOM 255 N THR A 18 -6.748 22.071 -4.072 1.00 10.00 N ATOM 256 CA THR A 18 -6.607 23.414 -4.656 1.00 10.00 C ATOM 257 C THR A 18 -7.852 23.873 -5.434 1.00 10.00 C ATOM 258 O THR A 18 -8.183 25.061 -5.455 1.00 10.00 O ATOM 259 CB THR A 18 -5.325 23.519 -5.490 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.924 24.866 -5.616 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.504 22.948 -6.891 1.00 10.00 C ATOM 0 H THR A 18 -6.200 21.346 -4.535 1.00 10.00 H new ATOM 0 HA THR A 18 -6.519 24.111 -3.823 1.00 10.00 H new ATOM 0 HB THR A 18 -4.567 22.940 -4.963 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.104 24.915 -6.150 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.570 23.044 -7.445 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.779 21.895 -6.823 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.291 23.495 -7.409 1.00 10.00 H new ATOM 269 N GLY A 19 -8.590 22.928 -6.033 1.00 10.00 N ATOM 270 CA GLY A 19 -9.845 23.205 -6.737 1.00 10.00 C ATOM 271 C GLY A 19 -11.014 23.332 -5.766 1.00 10.00 C ATOM 272 O GLY A 19 -11.822 24.254 -5.897 1.00 10.00 O ATOM 0 H GLY A 19 -8.328 21.942 -6.041 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.746 24.126 -7.311 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -10.048 22.406 -7.450 1.00 10.00 H new ATOM 292 N ASP A 21 -10.612 24.466 -2.847 1.00 10.00 N ATOM 293 CA ASP A 21 -10.318 25.728 -2.203 1.00 10.00 C ATOM 294 C ASP A 21 -10.809 26.946 -2.983 1.00 10.00 C ATOM 295 O ASP A 21 -11.169 27.933 -2.357 1.00 10.00 O ATOM 296 CB ASP A 21 -8.835 25.762 -1.849 1.00 10.00 C ATOM 297 CG ASP A 21 -8.319 27.154 -1.445 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.494 27.541 -0.265 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.710 27.846 -2.294 1.00 10.00 O ATOM 0 HA ASP A 21 -10.891 25.795 -1.278 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.652 25.066 -1.030 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.260 25.407 -2.704 1.00 10.00 H new ATOM 304 N ASN A 22 -10.952 26.881 -4.308 1.00 10.00 N ATOM 305 CA ASN A 22 -11.629 27.933 -5.062 1.00 10.00 C ATOM 306 C ASN A 22 -13.137 27.984 -4.788 1.00 10.00 C ATOM 307 O ASN A 22 -13.782 29.023 -4.973 1.00 10.00 O ATOM 308 CB ASN A 22 -11.466 27.681 -6.565 1.00 10.00 C ATOM 309 CG ASN A 22 -10.037 27.797 -7.073 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.251 28.627 -6.636 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.661 26.985 -8.036 1.00 10.00 N ATOM 0 H ASN A 22 -10.607 26.110 -4.880 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.173 28.872 -4.747 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.840 26.684 -6.796 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.090 28.390 -7.109 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.717 27.048 -8.417 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.313 26.292 -8.403 1.00 10.00 H new ATOM 318 N LEU A 23 -13.713 26.854 -4.384 1.00 10.00 N ATOM 319 CA LEU A 23 -15.066 26.767 -3.888 1.00 10.00 C ATOM 320 C LEU A 23 -15.174 27.087 -2.386 1.00 10.00 C ATOM 321 O LEU A 23 -16.042 27.853 -1.984 1.00 10.00 O ATOM 322 CB LEU A 23 -15.681 25.441 -4.345 1.00 10.00 C ATOM 323 CG LEU A 23 -17.048 25.647 -5.032 1.00 10.00 C ATOM 324 CD1 LEU A 23 -18.025 26.404 -4.156 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.184 26.350 -6.379 1.00 10.00 C ATOM 0 H LEU A 23 -13.231 25.955 -4.397 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.679 27.554 -4.327 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.999 24.943 -5.035 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.802 24.782 -3.485 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.242 24.589 -5.211 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.971 26.523 -4.684 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.192 25.848 -3.233 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.616 27.386 -3.919 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.234 26.381 -6.669 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.799 27.367 -6.299 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.616 25.805 -7.133 1.00 10.00 H new ATOM 337 N GLN A 24 -14.240 26.597 -1.571 1.00 10.00 N ATOM 338 CA GLN A 24 -14.081 26.843 -0.141 1.00 10.00 C ATOM 339 C GLN A 24 -13.887 28.326 0.148 1.00 10.00 C ATOM 340 O GLN A 24 -14.542 28.853 1.032 1.00 10.00 O ATOM 341 CB GLN A 24 -12.855 26.085 0.388 1.00 10.00 C ATOM 342 CG GLN A 24 -12.803 25.872 1.896 1.00 10.00 C ATOM 343 CD GLN A 24 -13.770 24.796 2.392 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.969 25.001 2.511 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.293 23.611 2.714 1.00 10.00 N ATOM 0 H GLN A 24 -13.519 25.968 -1.924 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.989 26.497 0.354 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.817 25.110 -0.098 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.959 26.627 0.086 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.788 25.597 2.182 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -13.031 26.813 2.396 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.295 23.421 2.622 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -13.921 22.884 3.056 1.00 10.00 H new ATOM 354 N THR A 25 -13.023 29.015 -0.600 1.00 10.00 N ATOM 355 CA THR A 25 -12.799 30.457 -0.494 1.00 10.00 C ATOM 356 C THR A 25 -14.119 31.193 -0.684 1.00 10.00 C ATOM 357 O THR A 25 -14.530 31.988 0.151 1.00 10.00 O ATOM 358 CB THR A 25 -11.687 30.905 -1.460 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.192 32.177 -1.100 1.00 10.00 O ATOM 360 CG2 THR A 25 -12.055 30.948 -2.938 1.00 10.00 C ATOM 0 H THR A 25 -12.445 28.573 -1.315 1.00 10.00 H new ATOM 0 HA THR A 25 -12.439 30.713 0.503 1.00 10.00 H new ATOM 0 HB THR A 25 -10.936 30.123 -1.353 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.485 32.442 -1.725 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.193 31.277 -3.518 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.355 29.953 -3.267 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.880 31.644 -3.087 1.00 10.00 H new ATOM 368 N GLN A 26 -14.872 30.779 -1.697 1.00 10.00 N ATOM 369 CA GLN A 26 -16.229 31.231 -1.976 1.00 10.00 C ATOM 370 C GLN A 26 -17.233 30.972 -0.842 1.00 10.00 C ATOM 371 O GLN A 26 -17.908 31.909 -0.409 1.00 10.00 O ATOM 372 CB GLN A 26 -16.685 30.596 -3.303 1.00 10.00 C ATOM 373 CG GLN A 26 -16.825 31.638 -4.416 1.00 10.00 C ATOM 374 CD GLN A 26 -17.091 30.992 -5.772 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.168 31.116 -6.339 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.154 30.253 -6.329 1.00 10.00 N ATOM 0 H GLN A 26 -14.540 30.092 -2.373 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.207 32.318 -2.059 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.967 29.835 -3.607 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.640 30.092 -3.155 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.639 32.321 -4.173 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.915 32.235 -4.471 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.251 30.141 -5.867 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.331 29.793 -7.222 1.00 10.00 H new ATOM 385 N VAL A 27 -17.337 29.742 -0.320 1.00 10.00 N ATOM 386 CA VAL A 27 -18.238 29.448 0.803 1.00 10.00 C ATOM 387 C VAL A 27 -17.811 30.202 2.055 1.00 10.00 C ATOM 388 O VAL A 27 -18.636 30.680 2.820 1.00 10.00 O ATOM 389 CB VAL A 27 -18.404 27.956 1.162 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.344 27.022 -0.045 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.482 27.356 2.225 1.00 10.00 C ATOM 0 H VAL A 27 -16.810 28.936 -0.657 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.211 29.784 0.443 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.402 28.005 1.598 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.468 25.991 0.286 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.141 27.278 -0.743 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.379 27.130 -0.541 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.723 26.302 2.363 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.445 27.451 1.903 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.620 27.886 3.167 1.00 10.00 H new ATOM 401 N THR A 28 -16.505 30.326 2.263 1.00 10.00 N ATOM 402 CA THR A 28 -15.927 31.028 3.394 1.00 10.00 C ATOM 403 C THR A 28 -16.151 32.518 3.289 1.00 10.00 C ATOM 404 O THR A 28 -16.218 33.195 4.299 1.00 10.00 O ATOM 405 CB THR A 28 -14.424 30.829 3.519 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.068 29.465 3.560 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.923 31.440 4.812 1.00 10.00 C ATOM 0 H THR A 28 -15.806 29.931 1.634 1.00 10.00 H new ATOM 0 HA THR A 28 -16.428 30.606 4.265 1.00 10.00 H new ATOM 0 HB THR A 28 -13.981 31.303 2.643 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.942 29.132 2.647 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.846 31.292 4.891 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.144 32.507 4.820 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.418 30.961 5.657 1.00 10.00 H new ATOM 415 N GLU A 29 -16.268 33.072 2.093 1.00 10.00 N ATOM 416 CA GLU A 29 -16.612 34.466 1.953 1.00 10.00 C ATOM 417 C GLU A 29 -18.123 34.687 2.152 1.00 10.00 C ATOM 418 O GLU A 29 -18.533 35.733 2.643 1.00 10.00 O ATOM 419 CB GLU A 29 -16.083 35.025 0.651 1.00 10.00 C ATOM 420 CG GLU A 29 -14.559 35.188 0.711 1.00 10.00 C ATOM 421 CD GLU A 29 -14.013 35.884 -0.551 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.105 35.311 -1.665 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.492 37.021 -0.441 1.00 10.00 O ATOM 0 H GLU A 29 -16.129 32.576 1.213 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.121 35.032 2.745 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.351 34.361 -0.171 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.549 35.989 0.447 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.289 35.769 1.593 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.092 34.209 0.818 1.00 10.00 H new ATOM 430 N ALA A 30 -18.973 33.701 1.839 1.00 10.00 N ATOM 431 CA ALA A 30 -20.380 33.717 2.234 1.00 10.00 C ATOM 432 C ALA A 30 -20.488 33.645 3.764 1.00 10.00 C ATOM 433 O ALA A 30 -21.287 34.332 4.397 1.00 10.00 O ATOM 434 CB ALA A 30 -21.100 32.534 1.594 1.00 10.00 C ATOM 0 H ALA A 30 -18.702 32.874 1.307 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.846 34.642 1.894 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.150 32.545 1.888 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.026 32.607 0.509 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.639 31.604 1.927 1.00 10.00 H new ATOM 440 N LEU A 31 -19.611 32.849 4.366 1.00 10.00 N ATOM 441 CA LEU A 31 -19.376 32.770 5.788 1.00 10.00 C ATOM 442 C LEU A 31 -18.711 34.026 6.363 1.00 10.00 C ATOM 443 O LEU A 31 -18.984 34.364 7.497 1.00 10.00 O ATOM 444 CB LEU A 31 -18.499 31.554 6.043 1.00 10.00 C ATOM 445 CG LEU A 31 -18.350 31.230 7.524 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.552 30.434 8.013 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.045 30.469 7.671 1.00 10.00 C ATOM 0 H LEU A 31 -19.017 32.210 3.838 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.339 32.685 6.291 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.924 30.692 5.529 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.512 31.727 5.613 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.319 32.130 8.138 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.433 30.209 9.073 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.460 31.019 7.866 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.625 29.503 7.451 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.890 30.212 8.719 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.087 29.557 7.076 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.220 31.091 7.324 1.00 10.00 H new ATOM 459 N ASP A 32 -17.887 34.766 5.626 1.00 10.00 N ATOM 460 CA ASP A 32 -17.374 36.068 6.052 1.00 10.00 C ATOM 461 C ASP A 32 -18.554 37.015 6.325 1.00 10.00 C ATOM 462 O ASP A 32 -18.507 37.831 7.247 1.00 10.00 O ATOM 463 CB ASP A 32 -16.363 36.608 5.021 1.00 10.00 C ATOM 464 CG ASP A 32 -15.950 38.060 5.305 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.132 38.288 6.228 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.425 38.971 4.583 1.00 10.00 O ATOM 0 H ASP A 32 -17.552 34.477 4.707 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.821 35.977 6.987 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.476 35.975 5.021 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.798 36.546 4.024 1.00 10.00 H new ATOM 471 N LYS A 33 -19.665 36.815 5.598 1.00 10.00 N ATOM 472 CA LYS A 33 -20.943 37.446 5.848 1.00 10.00 C ATOM 473 C LYS A 33 -21.672 36.794 7.025 1.00 10.00 C ATOM 474 O LYS A 33 -22.237 37.484 7.867 1.00 10.00 O ATOM 475 CB LYS A 33 -21.824 37.486 4.600 1.00 10.00 C ATOM 476 CG LYS A 33 -21.213 37.580 3.198 1.00 10.00 C ATOM 477 CD LYS A 33 -19.987 38.485 3.049 1.00 10.00 C ATOM 478 CE LYS A 33 -19.642 38.653 1.572 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.448 39.522 1.401 1.00 10.00 N ATOM 0 H LYS A 33 -19.684 36.186 4.796 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.733 38.480 6.121 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.442 36.588 4.618 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.495 38.337 4.712 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.937 36.575 2.878 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -21.983 37.933 2.512 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.186 39.458 3.498 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.140 38.055 3.583 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.453 37.677 1.125 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.491 39.087 1.043 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.233 39.621 0.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.640 40.460 1.808 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.634 39.094 1.887 1.00 10.00 H new ATOM 493 N LEU A 34 -21.699 35.462 7.099 1.00 10.00 N ATOM 494 CA LEU A 34 -22.453 34.720 8.121 1.00 10.00 C ATOM 495 C LEU A 34 -21.786 34.822 9.504 1.00 10.00 C ATOM 496 O LEU A 34 -22.401 34.633 10.539 1.00 10.00 O ATOM 497 CB LEU A 34 -22.662 33.279 7.649 1.00 10.00 C ATOM 498 CG LEU A 34 -24.087 32.730 7.853 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.249 31.507 7.005 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.546 32.221 9.203 1.00 10.00 C ATOM 0 H LEU A 34 -21.195 34.860 6.448 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.437 35.171 8.248 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.414 33.220 6.589 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.960 32.634 8.178 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.666 33.628 7.636 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.253 31.104 7.136 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.097 31.768 5.958 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.515 30.758 7.303 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.579 31.880 9.131 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.911 31.392 9.514 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.479 33.024 9.937 1.00 10.00 H new ATOM 512 N ALA A 35 -20.507 35.156 9.536 1.00 10.00 N ATOM 513 CA ALA A 35 -19.760 35.513 10.721 1.00 10.00 C ATOM 514 C ALA A 35 -20.039 37.002 11.106 1.00 10.00 C ATOM 515 O ALA A 35 -19.898 37.377 12.272 1.00 10.00 O ATOM 516 CB ALA A 35 -18.290 35.166 10.424 1.00 10.00 C ATOM 0 H ALA A 35 -19.936 35.186 8.691 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.061 34.957 11.609 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.675 35.416 11.289 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.203 34.100 10.213 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.949 35.736 9.560 1.00 10.00 H new ATOM 522 N ALA A 36 -20.461 37.844 10.139 1.00 10.00 N ATOM 523 CA ALA A 36 -20.877 39.252 10.292 1.00 10.00 C ATOM 524 C ALA A 36 -22.326 39.479 10.793 1.00 10.00 C ATOM 525 O ALA A 36 -22.530 40.130 11.821 1.00 10.00 O ATOM 526 CB ALA A 36 -20.622 39.997 8.962 1.00 10.00 C ATOM 0 H ALA A 36 -20.524 37.537 9.168 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.265 39.660 11.096 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.926 41.039 9.064 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.561 39.951 8.717 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.199 39.527 8.165 1.00 10.00 H new ATOM 532 N LYS A 37 -23.332 38.933 10.090 1.00 10.00 N ATOM 533 CA LYS A 37 -24.779 38.993 10.419 1.00 10.00 C ATOM 534 C LYS A 37 -25.401 37.606 10.200 1.00 10.00 C ATOM 535 O LYS A 37 -26.200 37.381 9.297 1.00 10.00 O ATOM 536 CB LYS A 37 -25.483 40.005 9.532 1.00 10.00 C ATOM 537 CG LYS A 37 -26.852 40.502 10.057 1.00 10.00 C ATOM 538 CD LYS A 37 -27.858 39.570 10.759 1.00 10.00 C ATOM 539 CE LYS A 37 -27.551 39.316 12.242 1.00 10.00 C ATOM 540 NZ LYS A 37 -28.715 38.715 12.950 1.00 10.00 N ATOM 0 H LYS A 37 -23.157 38.410 9.232 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.895 39.297 11.459 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.828 40.866 9.400 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.629 39.562 8.547 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -26.643 41.315 10.752 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -27.373 40.938 9.205 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -28.856 40.001 10.675 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.878 38.615 10.235 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -26.691 38.652 12.327 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -27.278 40.255 12.723 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -28.471 38.558 13.949 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -29.529 39.360 12.890 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -28.960 37.807 12.506 1.00 10.00 H new ATOM 554 N PRO A 38 -25.079 36.652 11.054 1.00 10.00 N ATOM 555 CA PRO A 38 -25.366 35.260 10.805 1.00 10.00 C ATOM 556 C PRO A 38 -26.645 34.804 10.120 1.00 10.00 C ATOM 557 O PRO A 38 -26.612 34.477 8.938 1.00 10.00 O ATOM 558 CB PRO A 38 -24.978 34.507 12.071 1.00 10.00 C ATOM 559 CG PRO A 38 -24.341 35.562 12.991 1.00 10.00 C ATOM 560 CD PRO A 38 -24.174 36.815 12.159 1.00 10.00 C ATOM 0 HA PRO A 38 -24.760 34.993 9.939 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.850 34.051 12.540 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.277 33.702 11.851 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.974 35.754 13.858 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.379 35.217 13.369 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.414 37.707 12.737 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.146 36.925 11.814 1.00 10.00 H new ATOM 568 N SER A 39 -27.778 34.770 10.802 1.00 10.00 N ATOM 569 CA SER A 39 -28.972 34.167 10.242 1.00 10.00 C ATOM 570 C SER A 39 -29.748 35.101 9.305 1.00 10.00 C ATOM 571 O SER A 39 -30.890 34.794 8.963 1.00 10.00 O ATOM 572 CB SER A 39 -29.794 33.482 11.322 1.00 10.00 C ATOM 573 OG SER A 39 -30.273 34.418 12.280 1.00 10.00 O ATOM 0 H SER A 39 -27.894 35.152 11.741 1.00 10.00 H new ATOM 0 HA SER A 39 -28.662 33.369 9.567 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.636 32.962 10.866 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.186 32.727 11.821 1.00 10.00 H new ATOM 0 HG SER A 39 -30.799 33.949 12.961 1.00 10.00 H new ATOM 579 N ASP A 40 -29.149 36.238 8.897 1.00 10.00 N ATOM 580 CA ASP A 40 -29.652 37.085 7.806 1.00 10.00 C ATOM 581 C ASP A 40 -29.826 36.148 6.607 1.00 10.00 C ATOM 582 O ASP A 40 -28.837 35.672 6.054 1.00 10.00 O ATOM 583 CB ASP A 40 -28.729 38.258 7.461 1.00 10.00 C ATOM 584 CG ASP A 40 -29.177 38.946 6.159 1.00 10.00 C ATOM 585 OD1 ASP A 40 -30.130 39.757 6.216 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.610 38.651 5.082 1.00 10.00 O ATOM 0 H ASP A 40 -28.293 36.594 9.323 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.586 37.560 8.105 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.731 38.980 8.278 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.705 37.901 7.354 1.00 10.00 H new ATOM 591 N PRO A 41 -31.052 35.821 6.193 1.00 10.00 N ATOM 592 CA PRO A 41 -31.232 34.741 5.241 1.00 10.00 C ATOM 593 C PRO A 41 -30.707 35.037 3.846 1.00 10.00 C ATOM 594 O PRO A 41 -30.375 34.107 3.121 1.00 10.00 O ATOM 595 CB PRO A 41 -32.732 34.488 5.234 1.00 10.00 C ATOM 596 CG PRO A 41 -33.333 35.844 5.618 1.00 10.00 C ATOM 597 CD PRO A 41 -32.315 36.413 6.593 1.00 10.00 C ATOM 0 HA PRO A 41 -30.650 33.870 5.541 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.078 34.160 4.254 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.010 33.711 5.946 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.461 36.488 4.748 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.314 35.733 6.080 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.278 37.501 6.537 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.565 36.155 7.622 1.00 10.00 H new ATOM 605 N ALA A 42 -30.586 36.302 3.457 1.00 10.00 N ATOM 606 CA ALA A 42 -30.016 36.667 2.179 1.00 10.00 C ATOM 607 C ALA A 42 -28.521 36.280 2.078 1.00 10.00 C ATOM 608 O ALA A 42 -28.109 35.704 1.068 1.00 10.00 O ATOM 609 CB ALA A 42 -30.317 38.149 1.971 1.00 10.00 C ATOM 0 H ALA A 42 -30.882 37.097 4.023 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.466 36.105 1.360 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.905 38.473 1.015 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.396 38.305 1.973 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.865 38.728 2.776 1.00 10.00 H new ATOM 615 N LEU A 43 -27.720 36.503 3.134 1.00 10.00 N ATOM 616 CA LEU A 43 -26.340 36.016 3.227 1.00 10.00 C ATOM 617 C LEU A 43 -26.221 34.534 3.650 1.00 10.00 C ATOM 618 O LEU A 43 -25.428 33.799 3.061 1.00 10.00 O ATOM 619 CB LEU A 43 -25.522 36.992 4.094 1.00 10.00 C ATOM 620 CG LEU A 43 -25.716 36.906 5.611 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.846 35.842 6.224 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.204 38.130 6.362 1.00 10.00 C ATOM 0 H LEU A 43 -28.019 37.032 3.953 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.909 36.007 2.226 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.466 36.833 3.878 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.762 38.007 3.779 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.791 36.749 5.704 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.012 35.812 7.301 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.096 34.873 5.791 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.799 36.069 6.025 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.375 37.999 7.431 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.137 38.250 6.177 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.734 39.017 6.016 1.00 10.00 H new ATOM 634 N LEU A 44 -26.989 34.063 4.643 1.00 10.00 N ATOM 635 CA LEU A 44 -26.946 32.669 5.125 1.00 10.00 C ATOM 636 C LEU A 44 -27.425 31.726 4.031 1.00 10.00 C ATOM 637 O LEU A 44 -26.881 30.631 3.903 1.00 10.00 O ATOM 638 CB LEU A 44 -27.686 32.544 6.482 1.00 10.00 C ATOM 639 CG LEU A 44 -28.596 31.352 6.834 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.681 30.951 5.832 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.793 30.098 7.092 1.00 10.00 C ATOM 0 H LEU A 44 -27.665 34.642 5.141 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.921 32.364 5.338 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.921 32.589 7.257 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.297 33.441 6.585 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.106 31.745 7.714 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.237 30.098 6.220 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.361 31.788 5.678 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.218 30.681 4.883 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.468 29.278 7.337 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.221 29.843 6.200 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.111 30.268 7.925 1.00 10.00 H new ATOM 653 N ALA A 45 -28.386 32.117 3.191 1.00 10.00 N ATOM 654 CA ALA A 45 -28.790 31.229 2.126 1.00 10.00 C ATOM 655 C ALA A 45 -27.773 31.228 0.976 1.00 10.00 C ATOM 656 O ALA A 45 -27.584 30.199 0.336 1.00 10.00 O ATOM 657 CB ALA A 45 -30.221 31.496 1.652 1.00 10.00 C ATOM 0 H ALA A 45 -28.877 33.010 3.231 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.800 30.220 2.537 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.475 30.802 0.851 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.912 31.358 2.484 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.297 32.519 1.283 1.00 10.00 H new ATOM 663 N ALA A 46 -27.053 32.332 0.743 1.00 10.00 N ATOM 664 CA ALA A 46 -25.918 32.338 -0.167 1.00 10.00 C ATOM 665 C ALA A 46 -24.782 31.438 0.349 1.00 10.00 C ATOM 666 O ALA A 46 -24.168 30.708 -0.425 1.00 10.00 O ATOM 667 CB ALA A 46 -25.432 33.769 -0.383 1.00 10.00 C ATOM 0 H ALA A 46 -27.244 33.234 1.179 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.241 31.931 -1.125 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.582 33.765 -1.065 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.238 34.366 -0.810 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.129 34.198 0.572 1.00 10.00 H new ATOM 673 N TYR A 47 -24.550 31.409 1.664 1.00 10.00 N ATOM 674 CA TYR A 47 -23.644 30.472 2.311 1.00 10.00 C ATOM 675 C TYR A 47 -24.065 29.046 2.084 1.00 10.00 C ATOM 676 O TYR A 47 -23.282 28.255 1.569 1.00 10.00 O ATOM 677 CB TYR A 47 -23.605 30.728 3.807 1.00 10.00 C ATOM 678 CG TYR A 47 -22.756 29.728 4.584 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.369 29.653 4.376 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.383 28.784 5.425 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.610 28.639 4.991 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.623 27.792 6.075 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.232 27.710 5.851 1.00 10.00 C ATOM 684 OH TYR A 47 -20.488 26.740 6.449 1.00 10.00 O ATOM 0 H TYR A 47 -24.999 32.052 2.317 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.658 30.624 1.873 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.219 31.732 3.984 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.623 30.705 4.196 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.882 30.378 3.740 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.452 28.822 5.571 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.548 28.572 4.804 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.104 27.095 6.744 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.067 26.183 7.010 1.00 10.00 H new ATOM 694 N GLN A 48 -25.309 28.739 2.440 1.00 10.00 N ATOM 695 CA GLN A 48 -25.804 27.379 2.359 1.00 10.00 C ATOM 696 C GLN A 48 -25.892 26.902 0.890 1.00 10.00 C ATOM 697 O GLN A 48 -25.765 25.717 0.586 1.00 10.00 O ATOM 698 CB GLN A 48 -27.037 27.197 3.242 1.00 10.00 C ATOM 699 CG GLN A 48 -28.345 27.655 2.632 1.00 10.00 C ATOM 700 CD GLN A 48 -29.104 26.557 1.887 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.125 26.497 0.665 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.759 25.653 2.585 1.00 10.00 N ATOM 0 H GLN A 48 -25.988 29.417 2.786 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.088 26.680 2.791 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.126 26.142 3.500 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.880 27.741 4.173 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -28.983 28.051 3.422 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.145 28.475 1.943 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -29.750 25.691 3.604 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -30.275 24.915 2.106 1.00 10.00 H new ATOM 711 N SER A 49 -26.000 27.860 -0.035 1.00 10.00 N ATOM 712 CA SER A 49 -25.873 27.657 -1.476 1.00 10.00 C ATOM 713 C SER A 49 -24.450 27.249 -1.842 1.00 10.00 C ATOM 714 O SER A 49 -24.227 26.226 -2.483 1.00 10.00 O ATOM 715 CB SER A 49 -26.205 28.941 -2.273 1.00 10.00 C ATOM 716 OG SER A 49 -26.410 28.613 -3.635 1.00 10.00 O ATOM 0 H SER A 49 -26.185 28.832 0.211 1.00 10.00 H new ATOM 0 HA SER A 49 -26.582 26.870 -1.736 1.00 10.00 H new ATOM 0 HB2 SER A 49 -27.097 29.415 -1.864 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.391 29.660 -2.180 1.00 10.00 H new ATOM 0 HG SER A 49 -26.622 29.426 -4.139 1.00 10.00 H new ATOM 722 N LYS A 50 -23.462 28.025 -1.389 1.00 10.00 N ATOM 723 CA LYS A 50 -22.044 27.826 -1.680 1.00 10.00 C ATOM 724 C LYS A 50 -21.495 26.542 -1.060 1.00 10.00 C ATOM 725 O LYS A 50 -20.746 25.832 -1.709 1.00 10.00 O ATOM 726 CB LYS A 50 -21.280 29.099 -1.268 1.00 10.00 C ATOM 727 CG LYS A 50 -21.662 30.270 -2.190 1.00 10.00 C ATOM 728 CD LYS A 50 -20.544 30.640 -3.148 1.00 10.00 C ATOM 729 CE LYS A 50 -20.193 29.515 -4.127 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.564 29.858 -5.528 1.00 10.00 N ATOM 0 H LYS A 50 -23.634 28.833 -0.791 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.903 27.676 -2.750 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.511 29.351 -0.233 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.206 28.920 -1.321 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.552 30.005 -2.760 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.919 31.138 -1.583 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.835 31.526 -3.712 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.656 30.905 -2.575 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.124 29.310 -4.075 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.708 28.602 -3.829 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.518 29.003 -6.119 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.531 30.240 -5.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.903 30.570 -5.898 1.00 10.00 H new ATOM 744 N LEU A 51 -21.948 26.203 0.139 1.00 10.00 N ATOM 745 CA LEU A 51 -21.786 24.949 0.880 1.00 10.00 C ATOM 746 C LEU A 51 -22.237 23.751 0.031 1.00 10.00 C ATOM 747 O LEU A 51 -21.596 22.702 0.049 1.00 10.00 O ATOM 748 CB LEU A 51 -22.598 25.211 2.173 1.00 10.00 C ATOM 749 CG LEU A 51 -23.217 24.116 3.061 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.010 24.836 4.169 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.228 23.199 2.364 1.00 10.00 C ATOM 0 H LEU A 51 -22.499 26.870 0.679 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.760 24.678 1.127 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.945 25.792 2.824 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.422 25.863 1.883 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.388 23.493 3.397 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.469 24.098 4.826 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.336 25.467 4.747 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.787 25.453 3.718 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.604 22.464 3.076 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.058 23.795 1.985 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.742 22.685 1.535 1.00 10.00 H new ATOM 763 N SER A 52 -23.288 23.919 -0.772 1.00 10.00 N ATOM 764 CA SER A 52 -23.708 22.947 -1.771 1.00 10.00 C ATOM 765 C SER A 52 -22.888 23.011 -3.059 1.00 10.00 C ATOM 766 O SER A 52 -22.486 21.970 -3.571 1.00 10.00 O ATOM 767 CB SER A 52 -25.183 23.109 -2.121 1.00 10.00 C ATOM 768 OG SER A 52 -26.020 23.078 -0.972 1.00 10.00 O ATOM 0 H SER A 52 -23.879 24.750 -0.743 1.00 10.00 H new ATOM 0 HA SER A 52 -23.538 21.974 -1.310 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.327 24.053 -2.647 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.481 22.314 -2.805 1.00 10.00 H new ATOM 0 HG SER A 52 -25.920 23.915 -0.472 1.00 10.00 H new ATOM 774 N GLU A 53 -22.570 24.204 -3.571 1.00 10.00 N ATOM 775 CA GLU A 53 -21.723 24.374 -4.747 1.00 10.00 C ATOM 776 C GLU A 53 -20.332 23.753 -4.559 1.00 10.00 C ATOM 777 O GLU A 53 -19.728 23.258 -5.501 1.00 10.00 O ATOM 778 CB GLU A 53 -21.470 25.822 -5.116 1.00 10.00 C ATOM 779 CG GLU A 53 -22.507 26.761 -5.692 1.00 10.00 C ATOM 780 CD GLU A 53 -23.240 26.190 -6.922 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.609 26.069 -8.000 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.452 25.889 -6.827 1.00 10.00 O ATOM 0 H GLU A 53 -22.898 25.085 -3.174 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.289 23.875 -5.534 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.100 26.302 -4.210 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.646 25.810 -5.830 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.239 26.998 -4.920 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -22.023 27.697 -5.970 1.00 10.00 H new ATOM 789 N TYR A 54 -19.801 23.801 -3.343 1.00 10.00 N ATOM 790 CA TYR A 54 -18.530 23.202 -2.972 1.00 10.00 C ATOM 791 C TYR A 54 -18.611 21.673 -3.011 1.00 10.00 C ATOM 792 O TYR A 54 -17.673 21.017 -3.468 1.00 10.00 O ATOM 793 CB TYR A 54 -18.052 23.820 -1.649 1.00 10.00 C ATOM 794 CG TYR A 54 -17.384 22.900 -0.682 1.00 10.00 C ATOM 795 CD1 TYR A 54 -18.166 22.161 0.213 1.00 10.00 C ATOM 796 CD2 TYR A 54 -15.985 22.827 -0.647 1.00 10.00 C ATOM 797 CE1 TYR A 54 -17.552 21.328 1.151 1.00 10.00 C ATOM 798 CE2 TYR A 54 -15.361 21.986 0.284 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.141 21.226 1.191 1.00 10.00 C ATOM 800 OH TYR A 54 -15.542 20.403 2.095 1.00 10.00 O ATOM 0 H TYR A 54 -20.260 24.274 -2.565 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.754 23.433 -3.702 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.360 24.629 -1.882 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.912 24.269 -1.153 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -19.243 22.235 0.178 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -15.392 23.415 -1.332 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -18.154 20.762 1.846 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -14.284 21.917 0.310 1.00 10.00 H new ATOM 0 HH TYR A 54 -14.569 20.451 1.986 1.00 10.00 H new ATOM 843 N TYR A 57 -18.611 21.105 -6.801 1.00 10.00 N ATOM 844 CA TYR A 57 -17.211 21.090 -7.187 1.00 10.00 C ATOM 845 C TYR A 57 -16.668 19.661 -6.943 1.00 10.00 C ATOM 846 O TYR A 57 -16.028 19.054 -7.800 1.00 10.00 O ATOM 847 CB TYR A 57 -16.405 22.199 -6.482 1.00 10.00 C ATOM 848 CG TYR A 57 -14.935 21.844 -6.521 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.157 22.145 -7.654 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.459 20.941 -5.557 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.912 21.510 -7.833 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.259 20.248 -5.770 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.468 20.547 -6.901 1.00 10.00 C ATOM 854 OH TYR A 57 -11.274 19.928 -7.092 1.00 10.00 O ATOM 0 HA TYR A 57 -17.102 21.323 -8.246 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.574 23.157 -6.974 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.738 22.308 -5.450 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.512 22.859 -8.382 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.019 20.780 -4.648 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.296 21.760 -8.684 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.941 19.488 -5.072 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.704 20.067 -6.307 1.00 10.00 H new ATOM 864 N ARG A 58 -17.020 19.087 -5.782 1.00 10.00 N ATOM 865 CA ARG A 58 -16.720 17.717 -5.355 1.00 10.00 C ATOM 866 C ARG A 58 -17.359 16.662 -6.263 1.00 10.00 C ATOM 867 O ARG A 58 -16.728 15.660 -6.580 1.00 10.00 O ATOM 868 CB ARG A 58 -17.224 17.552 -3.900 1.00 10.00 C ATOM 869 CG ARG A 58 -16.278 16.838 -2.940 1.00 10.00 C ATOM 870 CD ARG A 58 -15.133 17.739 -2.470 1.00 10.00 C ATOM 871 NE ARG A 58 -14.058 16.934 -1.852 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.673 16.902 -0.589 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.215 17.650 0.329 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.718 16.094 -0.221 1.00 10.00 N ATOM 0 H ARG A 58 -17.552 19.598 -5.078 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.643 17.559 -5.418 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.439 18.542 -3.497 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.167 17.005 -3.923 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.840 16.488 -2.074 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.865 15.956 -3.430 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.734 18.300 -3.315 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.508 18.468 -1.751 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.545 16.321 -2.486 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -14.968 18.293 0.084 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -13.886 17.593 1.293 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -12.270 15.488 -0.908 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.419 16.068 0.754 1.00 10.00 H new ATOM 888 N ASN A 59 -18.596 16.906 -6.703 1.00 10.00 N ATOM 889 CA ASN A 59 -19.367 16.044 -7.597 1.00 10.00 C ATOM 890 C ASN A 59 -18.720 15.964 -8.987 1.00 10.00 C ATOM 891 O ASN A 59 -18.560 14.889 -9.561 1.00 10.00 O ATOM 892 CB ASN A 59 -20.820 16.560 -7.704 1.00 10.00 C ATOM 893 CG ASN A 59 -21.739 15.524 -8.334 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.803 14.377 -7.918 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.476 15.885 -9.361 1.00 10.00 N ATOM 0 H ASN A 59 -19.108 17.746 -6.433 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.377 15.038 -7.178 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.189 16.818 -6.711 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.839 17.473 -8.299 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.097 15.209 -9.806 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.427 16.841 -9.713 1.00 10.00 H new ATOM 902 N ALA A 60 -18.289 17.116 -9.496 1.00 10.00 N ATOM 903 CA ALA A 60 -17.503 17.275 -10.706 1.00 10.00 C ATOM 904 C ALA A 60 -16.135 16.596 -10.571 1.00 10.00 C ATOM 905 O ALA A 60 -15.743 15.828 -11.450 1.00 10.00 O ATOM 906 CB ALA A 60 -17.422 18.780 -10.986 1.00 10.00 C ATOM 0 H ALA A 60 -18.493 18.009 -9.047 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.968 16.780 -11.558 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.838 18.951 -11.890 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.427 19.179 -11.122 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.943 19.281 -10.145 1.00 10.00 H new ATOM 912 N GLN A 61 -15.481 16.739 -9.413 1.00 10.00 N ATOM 913 CA GLN A 61 -14.284 15.997 -9.006 1.00 10.00 C ATOM 914 C GLN A 61 -14.589 14.562 -8.509 1.00 10.00 C ATOM 915 O GLN A 61 -13.890 13.960 -7.697 1.00 10.00 O ATOM 916 CB GLN A 61 -13.463 16.818 -8.030 1.00 10.00 C ATOM 917 CG GLN A 61 -11.992 16.328 -7.959 1.00 10.00 C ATOM 918 CD GLN A 61 -10.994 17.101 -8.821 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.316 17.719 -9.827 1.00 10.00 O ATOM 920 NE2 GLN A 61 -9.724 17.060 -8.471 1.00 10.00 N ATOM 0 H GLN A 61 -15.786 17.405 -8.703 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.673 15.840 -9.895 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.483 17.866 -8.330 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.913 16.761 -7.039 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.662 16.376 -6.921 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.963 15.279 -8.254 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -9.442 16.549 -7.635 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.023 17.540 -9.036 1.00 10.00 H new ATOM 929 N SER A 62 -15.685 14.027 -9.028 1.00 10.00 N ATOM 930 CA SER A 62 -16.161 12.651 -8.973 1.00 10.00 C ATOM 931 C SER A 62 -16.866 12.292 -10.295 1.00 10.00 C ATOM 932 O SER A 62 -17.677 11.370 -10.366 1.00 10.00 O ATOM 933 CB SER A 62 -17.038 12.455 -7.738 1.00 10.00 C ATOM 934 OG SER A 62 -17.230 11.075 -7.461 1.00 10.00 O ATOM 0 H SER A 62 -16.334 14.611 -9.556 1.00 10.00 H new ATOM 0 HA SER A 62 -15.325 11.960 -8.870 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.575 12.941 -6.879 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.004 12.936 -7.894 1.00 10.00 H new ATOM 0 HG SER A 62 -17.793 10.976 -6.665 1.00 10.00 H new ATOM 940 N ASN A 63 -16.520 13.023 -11.367 1.00 10.00 N ATOM 941 CA ASN A 63 -16.943 12.835 -12.746 1.00 10.00 C ATOM 942 C ASN A 63 -15.738 12.838 -13.689 1.00 10.00 C ATOM 943 O ASN A 63 -15.510 11.891 -14.430 1.00 10.00 O ATOM 944 CB ASN A 63 -17.951 13.947 -13.076 1.00 10.00 C ATOM 945 CG ASN A 63 -18.901 13.544 -14.188 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.545 13.511 -15.357 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.132 13.217 -13.866 1.00 10.00 N ATOM 0 H ASN A 63 -15.889 13.819 -11.275 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.422 11.865 -12.879 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.524 14.194 -12.182 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.413 14.849 -13.368 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.791 12.935 -14.592 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.428 13.245 -12.890 1.00 10.00 H new ATOM 954 N THR A 64 -14.882 13.843 -13.549 1.00 10.00 N ATOM 955 CA THR A 64 -13.549 13.950 -14.170 1.00 10.00 C ATOM 956 C THR A 64 -12.666 12.717 -13.956 1.00 10.00 C ATOM 957 O THR A 64 -12.056 12.154 -14.860 1.00 10.00 O ATOM 958 CB THR A 64 -12.895 15.206 -13.606 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.669 15.486 -14.231 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.716 15.153 -12.091 1.00 10.00 C ATOM 0 H THR A 64 -15.102 14.653 -12.970 1.00 10.00 H new ATOM 0 HA THR A 64 -13.667 14.012 -15.252 1.00 10.00 H new ATOM 0 HB THR A 64 -13.587 16.019 -13.825 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.017 14.793 -13.997 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.246 16.074 -11.748 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.689 15.043 -11.613 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.085 14.304 -11.829 1.00 10.00 H new ATOM 968 N VAL A 65 -12.746 12.206 -12.738 1.00 10.00 N ATOM 969 CA VAL A 65 -12.208 10.959 -12.187 1.00 10.00 C ATOM 970 C VAL A 65 -12.565 9.717 -13.020 1.00 10.00 C ATOM 971 O VAL A 65 -11.820 8.739 -13.073 1.00 10.00 O ATOM 972 CB VAL A 65 -12.800 10.821 -10.769 1.00 10.00 C ATOM 973 CG1 VAL A 65 -11.966 9.883 -9.901 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.902 12.156 -10.029 1.00 10.00 C ATOM 0 H VAL A 65 -13.254 12.717 -12.016 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.119 11.010 -12.189 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.801 10.418 -10.924 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.413 9.811 -8.910 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.936 8.894 -10.359 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.952 10.273 -9.814 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.326 11.991 -9.038 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.909 12.594 -9.931 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.544 12.835 -10.590 1.00 10.00 H new ATOM 984 N LYS A 66 -13.707 9.798 -13.706 1.00 10.00 N ATOM 985 CA LYS A 66 -14.394 8.797 -14.515 1.00 10.00 C ATOM 986 C LYS A 66 -14.457 9.214 -16.000 1.00 10.00 C ATOM 987 O LYS A 66 -15.146 8.593 -16.807 1.00 10.00 O ATOM 988 CB LYS A 66 -15.782 8.616 -13.883 1.00 10.00 C ATOM 989 CG LYS A 66 -15.738 7.954 -12.491 1.00 10.00 C ATOM 990 CD LYS A 66 -16.953 8.396 -11.667 1.00 10.00 C ATOM 991 CE LYS A 66 -16.817 8.002 -10.191 1.00 10.00 C ATOM 992 NZ LYS A 66 -17.856 8.666 -9.362 1.00 10.00 N ATOM 0 H LYS A 66 -14.232 10.673 -13.705 1.00 10.00 H new ATOM 0 HA LYS A 66 -13.858 7.848 -14.520 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.265 9.590 -13.799 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.399 8.010 -14.546 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -15.732 6.869 -12.594 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -14.818 8.230 -11.976 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -17.071 9.477 -11.745 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -17.855 7.946 -12.081 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -16.904 6.920 -10.091 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -15.827 8.277 -9.828 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.597 8.594 -8.357 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.926 9.668 -9.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -18.773 8.201 -9.517 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.671 10.233 -16.362 1.00 10.00 N ATOM 1007 CA VAL A 67 -13.445 10.818 -17.682 1.00 10.00 C ATOM 1008 C VAL A 67 -11.992 10.654 -18.093 1.00 10.00 C ATOM 1009 O VAL A 67 -11.701 10.388 -19.254 1.00 10.00 O ATOM 1010 CB VAL A 67 -13.870 12.282 -17.639 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.283 13.142 -18.742 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.384 12.318 -17.642 1.00 10.00 C ATOM 0 H VAL A 67 -13.118 10.720 -15.657 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.041 10.303 -18.435 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.468 12.726 -16.728 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -13.639 14.166 -18.633 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.195 13.127 -18.675 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -13.593 12.752 -19.711 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.723 13.353 -17.612 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -15.758 11.840 -18.548 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -15.762 11.786 -16.769 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.069 10.733 -17.138 1.00 10.00 N ATOM 1023 CA PHE A 68 -9.689 10.319 -17.337 1.00 10.00 C ATOM 1024 C PHE A 68 -9.692 8.793 -17.598 1.00 10.00 C ATOM 1025 O PHE A 68 -8.803 8.249 -18.238 1.00 10.00 O ATOM 1026 CB PHE A 68 -8.872 10.707 -16.105 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.611 12.196 -15.947 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -7.925 12.910 -16.950 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.036 12.871 -14.785 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.687 14.289 -16.802 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.804 14.250 -14.641 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.131 14.961 -15.650 1.00 10.00 C ATOM 0 H PHE A 68 -11.261 11.088 -16.201 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.229 10.813 -18.193 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.391 10.349 -15.216 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.914 10.188 -16.145 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.581 12.397 -17.836 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.542 12.326 -14.002 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.163 14.832 -17.575 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.143 14.764 -13.754 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.956 16.021 -15.540 1.00 10.00 H new