USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 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 16 THR OG1 : rot -74:sc= 0.427 USER MOD Set 1.2: A 18 THR OG1 : rot -58:sc= 2.38 USER MOD Set 1.3: A 20 THR OG1 : rot 83:sc= 1.2 USER MOD Set 1.4: A 67 ASN : amide:sc= 0.0925 K(o=4.1,f=-7.4!) USER MOD Set 2.1: A 37 THR OG1 : rot -56:sc= 0.909 USER MOD Set 2.2: A 40 THR OG1 : rot 76:sc= 2.11 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.07! C(o=0.95!,f=-2.5!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.04 K(o=-4.3,f=-15!) USER MOD Set 3.2: A 33 HIS : +bothHN:sc= -3.24 K(o=-4.3,f=-9.9!) USER MOD Set 4.1: A 2 MET CE :methyl 153:sc= 0 (180deg=-0.697) USER MOD Set 4.2: A 79 GLN : amide:sc= -0.969 K(o=-0.97,f=-12!) USER MOD Single : A 1 CYS N :NH3+ -148:sc= 1.04 (180deg=-0.0518) USER MOD Single : A 5 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.8) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -147:sc= -0.39 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0314) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 28 GLN : amide:sc= -1.33 K(o=-1.3,f=-9.2!) USER MOD Single : A 31 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 1.06 (180deg=0.74) USER MOD Single : A 49 ASN : amide:sc= 0.418 K(o=0.42,f=-4.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0949 K(o=0.095,f=-11!) USER MOD Single : A 64 TYR OH : rot 126:sc= -0.305! USER MOD Single : A 65 THR OG1 : rot -96:sc= -0.488! USER MOD Single : A 66 THR OG1 : rot 170:sc= -0.0836 USER MOD Single : A 70 LYS NZ :NH3+ -120:sc= 0.639 (180deg=-0.704) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.875 30.093 2.813 1.00 0.00 N ATOM 51 CA CYS A 1 5.919 30.382 3.763 1.00 0.00 C ATOM 52 C CYS A 1 5.377 30.260 5.184 1.00 0.00 C ATOM 53 O CYS A 1 4.183 30.441 5.424 1.00 0.00 O ATOM 54 CB CYS A 1 6.499 31.775 3.492 1.00 0.00 C ATOM 55 SG CYS A 1 5.352 32.945 2.677 1.00 0.00 S ATOM 0 H1 CYS A 1 5.288 29.652 1.967 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.186 29.442 3.241 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.396 30.976 2.544 1.00 0.00 H new ATOM 0 HA CYS A 1 6.727 29.659 3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.823 32.207 4.438 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.387 31.667 2.870 1.00 0.00 H new ATOM 60 N MET A 2 6.257 29.946 6.124 1.00 0.00 N ATOM 61 CA MET A 2 5.843 29.723 7.517 1.00 0.00 C ATOM 62 C MET A 2 5.995 30.956 8.387 1.00 0.00 C ATOM 63 O MET A 2 6.855 31.787 8.162 1.00 0.00 O ATOM 64 CB MET A 2 6.660 28.597 8.152 1.00 0.00 C ATOM 65 CG MET A 2 8.160 28.771 7.954 1.00 0.00 C ATOM 66 SD MET A 2 9.144 27.905 9.187 1.00 0.00 S ATOM 67 CE MET A 2 10.803 28.297 8.634 1.00 0.00 C ATOM 0 H MET A 2 7.258 29.839 5.957 1.00 0.00 H new ATOM 0 HA MET A 2 4.786 29.460 7.469 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.442 28.553 9.219 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.350 27.644 7.724 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.433 28.411 6.962 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.403 29.833 7.985 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.485 28.271 9.484 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.121 27.566 7.890 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.813 29.293 8.191 1.00 0.00 H new ATOM 77 N PHE A 3 5.151 31.043 9.401 1.00 0.00 N ATOM 78 CA PHE A 3 5.187 32.135 10.351 1.00 0.00 C ATOM 79 C PHE A 3 5.694 31.602 11.677 1.00 0.00 C ATOM 80 O PHE A 3 4.929 31.023 12.450 1.00 0.00 O ATOM 81 CB PHE A 3 3.790 32.741 10.526 1.00 0.00 C ATOM 82 CG PHE A 3 3.181 33.272 9.256 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.482 32.435 8.398 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.305 34.611 8.922 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.920 32.924 7.234 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.745 35.105 7.760 1.00 0.00 C ATOM 87 CZ PHE A 3 2.052 34.260 6.914 1.00 0.00 C ATOM 0 H PHE A 3 4.421 30.355 9.587 1.00 0.00 H new ATOM 0 HA PHE A 3 5.851 32.918 9.984 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.128 31.983 10.943 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.846 33.550 11.254 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.376 31.388 8.643 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.846 35.277 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.378 32.261 6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.849 36.151 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.615 34.644 6.004 1.00 0.00 H new ATOM 97 N GLY A 4 6.984 31.758 11.920 1.00 0.00 N ATOM 98 CA GLY A 4 7.583 31.177 13.085 1.00 0.00 C ATOM 99 C GLY A 4 7.930 29.729 12.846 1.00 0.00 C ATOM 100 O GLY A 4 8.723 29.412 11.951 1.00 0.00 O ATOM 0 H GLY A 4 7.625 32.281 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.483 31.732 13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.898 31.256 13.929 1.00 0.00 H new ATOM 104 N ASN A 5 7.267 28.868 13.607 1.00 0.00 N ATOM 105 CA ASN A 5 7.463 27.420 13.558 1.00 0.00 C ATOM 106 C ASN A 5 6.719 26.829 12.379 1.00 0.00 C ATOM 107 O ASN A 5 7.026 25.739 11.921 1.00 0.00 O ATOM 108 CB ASN A 5 6.922 26.786 14.840 1.00 0.00 C ATOM 109 CG ASN A 5 7.681 27.218 16.073 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.875 27.509 16.016 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.986 27.266 17.195 1.00 0.00 N ATOM 0 H ASN A 5 6.565 29.158 14.288 1.00 0.00 H new ATOM 0 HA ASN A 5 8.529 27.218 13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.871 27.050 14.955 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.970 25.701 14.751 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.438 27.554 18.063 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.997 27.015 17.194 1.00 0.00 H new ATOM 118 N GLY A 6 5.719 27.548 11.904 1.00 0.00 N ATOM 119 CA GLY A 6 4.901 27.027 10.839 1.00 0.00 C ATOM 120 C GLY A 6 3.541 26.615 11.348 1.00 0.00 C ATOM 121 O GLY A 6 2.803 25.891 10.678 1.00 0.00 O ATOM 0 H GLY A 6 5.461 28.478 12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.788 27.782 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.396 26.170 10.382 1.00 0.00 H new ATOM 125 N LYS A 7 3.217 27.082 12.543 1.00 0.00 N ATOM 126 CA LYS A 7 1.915 26.838 13.141 1.00 0.00 C ATOM 127 C LYS A 7 0.822 27.494 12.305 1.00 0.00 C ATOM 128 O LYS A 7 -0.279 26.967 12.176 1.00 0.00 O ATOM 129 CB LYS A 7 1.902 27.386 14.563 1.00 0.00 C ATOM 130 CG LYS A 7 2.761 26.588 15.532 1.00 0.00 C ATOM 131 CD LYS A 7 2.722 27.177 16.935 1.00 0.00 C ATOM 132 CE LYS A 7 1.332 27.085 17.542 1.00 0.00 C ATOM 133 NZ LYS A 7 1.254 27.767 18.859 1.00 0.00 N ATOM 0 H LYS A 7 3.846 27.638 13.123 1.00 0.00 H new ATOM 0 HA LYS A 7 1.724 25.765 13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.250 28.419 14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.875 27.401 14.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.413 25.555 15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.790 26.568 15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.433 26.650 17.571 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.037 28.220 16.901 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.608 27.530 16.860 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.056 26.037 17.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.289 27.681 19.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.926 27.326 19.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.492 28.773 18.744 1.00 0.00 H new ATOM 147 N GLY A 8 1.156 28.643 11.726 1.00 0.00 N ATOM 148 CA GLY A 8 0.264 29.316 10.812 1.00 0.00 C ATOM 149 C GLY A 8 0.794 29.251 9.396 1.00 0.00 C ATOM 150 O GLY A 8 0.424 30.052 8.541 1.00 0.00 O ATOM 0 H GLY A 8 2.043 29.122 11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.724 28.857 10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.145 30.357 11.113 1.00 0.00 H new ATOM 154 N TYR A 9 1.686 28.297 9.157 1.00 0.00 N ATOM 155 CA TYR A 9 2.205 28.048 7.823 1.00 0.00 C ATOM 156 C TYR A 9 1.107 27.486 6.928 1.00 0.00 C ATOM 157 O TYR A 9 0.762 26.306 7.010 1.00 0.00 O ATOM 158 CB TYR A 9 3.384 27.073 7.900 1.00 0.00 C ATOM 159 CG TYR A 9 3.791 26.496 6.570 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.832 27.282 5.432 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.107 25.154 6.452 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.167 26.748 4.213 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.458 24.612 5.237 1.00 0.00 C ATOM 164 CZ TYR A 9 4.478 25.413 4.117 1.00 0.00 C ATOM 165 OH TYR A 9 4.796 24.880 2.896 1.00 0.00 O ATOM 0 H TYR A 9 2.065 27.681 9.876 1.00 0.00 H new ATOM 0 HA TYR A 9 2.552 28.988 7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.239 27.587 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.124 26.257 8.574 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.596 28.334 5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.078 24.522 7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.186 27.374 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.716 23.566 5.162 1.00 0.00 H new ATOM 0 HH TYR A 9 4.493 23.949 2.856 1.00 0.00 H new ATOM 175 N ARG A 10 0.539 28.340 6.096 1.00 0.00 N ATOM 176 CA ARG A 10 -0.525 27.936 5.187 1.00 0.00 C ATOM 177 C ARG A 10 -0.007 27.885 3.749 1.00 0.00 C ATOM 178 O ARG A 10 -0.627 28.420 2.833 1.00 0.00 O ATOM 179 CB ARG A 10 -1.716 28.902 5.286 1.00 0.00 C ATOM 180 CG ARG A 10 -2.795 28.517 6.301 1.00 0.00 C ATOM 181 CD ARG A 10 -2.321 28.574 7.751 1.00 0.00 C ATOM 182 NE ARG A 10 -1.579 27.382 8.148 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.642 26.832 9.357 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.521 27.266 10.247 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.832 25.829 9.671 1.00 0.00 N ATOM 0 H ARG A 10 0.797 29.325 6.029 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.861 26.940 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.338 29.892 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.179 28.982 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.649 29.183 6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.145 27.508 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.690 29.452 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.183 28.695 8.406 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.974 26.943 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.156 28.027 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.563 26.839 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.162 25.481 8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.879 25.406 10.598 1.00 0.00 H new ATOM 199 N GLY A 11 1.126 27.219 3.564 1.00 0.00 N ATOM 200 CA GLY A 11 1.759 27.172 2.257 1.00 0.00 C ATOM 201 C GLY A 11 1.414 25.918 1.481 1.00 0.00 C ATOM 202 O GLY A 11 0.348 25.336 1.682 1.00 0.00 O ATOM 0 H GLY A 11 1.620 26.709 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.455 28.046 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.840 27.231 2.380 1.00 0.00 H new ATOM 206 N LYS A 12 2.318 25.490 0.603 1.00 0.00 N ATOM 207 CA LYS A 12 2.048 24.373 -0.284 1.00 0.00 C ATOM 208 C LYS A 12 3.326 23.636 -0.635 1.00 0.00 C ATOM 209 O LYS A 12 3.405 22.958 -1.662 1.00 0.00 O ATOM 210 CB LYS A 12 1.329 24.834 -1.562 1.00 0.00 C ATOM 211 CG LYS A 12 1.924 26.063 -2.237 1.00 0.00 C ATOM 212 CD LYS A 12 1.319 27.349 -1.688 1.00 0.00 C ATOM 213 CE LYS A 12 -0.204 27.308 -1.710 1.00 0.00 C ATOM 214 NZ LYS A 12 -0.745 27.080 -3.077 1.00 0.00 N ATOM 0 H LYS A 12 3.244 25.904 0.491 1.00 0.00 H new ATOM 0 HA LYS A 12 1.388 23.687 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.330 24.011 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.287 25.043 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.004 26.075 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.752 26.008 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.664 27.507 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.669 28.197 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.553 26.516 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.596 28.247 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.780 27.178 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.341 27.780 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.493 26.122 -3.395 1.00 0.00 H new ATOM 228 N ARG A 13 4.333 23.777 0.216 1.00 0.00 N ATOM 229 CA ARG A 13 5.526 22.971 0.094 1.00 0.00 C ATOM 230 C ARG A 13 5.145 21.542 0.431 1.00 0.00 C ATOM 231 O ARG A 13 4.387 21.309 1.368 1.00 0.00 O ATOM 232 CB ARG A 13 6.620 23.461 1.040 1.00 0.00 C ATOM 233 CG ARG A 13 7.062 24.898 0.806 1.00 0.00 C ATOM 234 CD ARG A 13 8.001 25.025 -0.381 1.00 0.00 C ATOM 235 NE ARG A 13 8.410 26.416 -0.605 1.00 0.00 N ATOM 236 CZ ARG A 13 9.650 26.788 -0.913 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.636 25.898 -0.928 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.910 28.060 -1.191 1.00 0.00 N ATOM 0 H ARG A 13 4.342 24.439 0.992 1.00 0.00 H new ATOM 0 HA ARG A 13 5.921 23.040 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.264 23.367 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.487 22.807 0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.185 25.524 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.558 25.274 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.884 24.409 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.510 24.642 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 13 7.700 27.143 -0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.445 24.922 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.584 26.191 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.160 28.751 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.860 28.347 -1.427 1.00 0.00 H new ATOM 252 N VAL A 14 5.643 20.599 -0.333 1.00 0.00 N ATOM 253 CA VAL A 14 5.199 19.214 -0.220 1.00 0.00 C ATOM 254 C VAL A 14 6.371 18.260 -0.354 1.00 0.00 C ATOM 255 O VAL A 14 6.243 17.141 -0.850 1.00 0.00 O ATOM 256 CB VAL A 14 4.143 18.893 -1.298 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.811 19.520 -0.936 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.601 19.406 -2.654 1.00 0.00 C ATOM 0 H VAL A 14 6.358 20.757 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 14 4.752 19.086 0.766 1.00 0.00 H new ATOM 0 HB VAL A 14 4.022 17.811 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.077 19.284 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.472 19.126 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.926 20.601 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.846 19.173 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.743 20.486 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.542 18.928 -2.925 1.00 0.00 H new ATOM 268 N THR A 15 7.520 18.723 0.081 1.00 0.00 N ATOM 269 CA THR A 15 8.750 18.007 -0.060 1.00 0.00 C ATOM 270 C THR A 15 9.662 18.414 1.089 1.00 0.00 C ATOM 271 O THR A 15 9.764 19.596 1.421 1.00 0.00 O ATOM 272 CB THR A 15 9.371 18.356 -1.413 1.00 0.00 C ATOM 273 OG1 THR A 15 8.372 18.314 -2.442 1.00 0.00 O ATOM 274 CG2 THR A 15 10.456 17.392 -1.758 1.00 0.00 C ATOM 0 H THR A 15 7.619 19.624 0.549 1.00 0.00 H new ATOM 0 HA THR A 15 8.593 16.929 -0.026 1.00 0.00 H new ATOM 0 HB THR A 15 9.788 19.361 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.780 18.541 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.885 17.658 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.232 17.429 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.045 16.384 -1.809 1.00 0.00 H new ATOM 282 N THR A 16 10.292 17.435 1.705 1.00 0.00 N ATOM 283 CA THR A 16 11.035 17.652 2.933 1.00 0.00 C ATOM 284 C THR A 16 12.339 18.400 2.693 1.00 0.00 C ATOM 285 O THR A 16 12.660 18.774 1.564 1.00 0.00 O ATOM 286 CB THR A 16 11.357 16.310 3.604 1.00 0.00 C ATOM 287 OG1 THR A 16 12.117 15.505 2.699 1.00 0.00 O ATOM 288 CG2 THR A 16 10.088 15.574 3.991 1.00 0.00 C ATOM 0 H THR A 16 10.305 16.471 1.372 1.00 0.00 H new ATOM 0 HA THR A 16 10.402 18.260 3.579 1.00 0.00 H new ATOM 0 HB THR A 16 11.930 16.503 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.528 15.158 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.347 14.627 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.513 16.183 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.492 15.383 3.099 1.00 0.00 H new ATOM 296 N VAL A 17 13.106 18.582 3.756 1.00 0.00 N ATOM 297 CA VAL A 17 14.405 19.226 3.664 1.00 0.00 C ATOM 298 C VAL A 17 15.379 18.365 2.883 1.00 0.00 C ATOM 299 O VAL A 17 16.429 18.828 2.438 1.00 0.00 O ATOM 300 CB VAL A 17 15.012 19.527 5.042 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.232 20.620 5.754 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.082 18.269 5.895 1.00 0.00 C ATOM 0 H VAL A 17 12.848 18.290 4.699 1.00 0.00 H new ATOM 0 HA VAL A 17 14.239 20.171 3.147 1.00 0.00 H new ATOM 0 HB VAL A 17 16.030 19.885 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.683 20.814 6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.254 21.531 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.199 20.300 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.516 18.511 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.078 17.869 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.702 17.525 5.396 1.00 0.00 H new ATOM 312 N THR A 18 15.010 17.110 2.721 1.00 0.00 N ATOM 313 CA THR A 18 15.808 16.166 1.972 1.00 0.00 C ATOM 314 C THR A 18 15.328 16.151 0.536 1.00 0.00 C ATOM 315 O THR A 18 16.014 15.672 -0.368 1.00 0.00 O ATOM 316 CB THR A 18 15.664 14.749 2.554 1.00 0.00 C ATOM 317 OG1 THR A 18 14.332 14.272 2.324 1.00 0.00 O ATOM 318 CG2 THR A 18 15.934 14.756 4.048 1.00 0.00 C ATOM 0 H THR A 18 14.150 16.719 3.105 1.00 0.00 H new ATOM 0 HA THR A 18 16.854 16.468 2.028 1.00 0.00 H new ATOM 0 HB THR A 18 16.387 14.097 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.689 14.887 2.735 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.827 13.745 4.442 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.947 15.112 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.221 15.415 4.543 1.00 0.00 H new ATOM 326 N GLY A 19 14.141 16.711 0.338 1.00 0.00 N ATOM 327 CA GLY A 19 13.505 16.657 -0.947 1.00 0.00 C ATOM 328 C GLY A 19 12.724 15.378 -1.120 1.00 0.00 C ATOM 329 O GLY A 19 12.366 15.005 -2.238 1.00 0.00 O ATOM 0 H GLY A 19 13.611 17.204 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.837 17.511 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.258 16.734 -1.731 1.00 0.00 H new ATOM 333 N THR A 20 12.472 14.683 -0.018 1.00 0.00 N ATOM 334 CA THR A 20 11.539 13.579 -0.039 1.00 0.00 C ATOM 335 C THR A 20 10.112 14.120 -0.014 1.00 0.00 C ATOM 336 O THR A 20 9.756 14.878 0.884 1.00 0.00 O ATOM 337 CB THR A 20 11.755 12.636 1.153 1.00 0.00 C ATOM 338 OG1 THR A 20 13.099 12.126 1.138 1.00 0.00 O ATOM 339 CG2 THR A 20 10.768 11.485 1.100 1.00 0.00 C ATOM 0 H THR A 20 12.899 14.866 0.890 1.00 0.00 H new ATOM 0 HA THR A 20 11.707 13.009 -0.953 1.00 0.00 H new ATOM 0 HB THR A 20 11.594 13.196 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.701 12.779 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.933 10.825 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.751 11.876 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.910 10.926 0.175 1.00 0.00 H new ATOM 347 N PRO A 21 9.294 13.785 -1.021 1.00 0.00 N ATOM 348 CA PRO A 21 7.883 14.172 -1.056 1.00 0.00 C ATOM 349 C PRO A 21 7.150 13.880 0.241 1.00 0.00 C ATOM 350 O PRO A 21 7.247 12.778 0.796 1.00 0.00 O ATOM 351 CB PRO A 21 7.320 13.290 -2.149 1.00 0.00 C ATOM 352 CG PRO A 21 8.447 13.132 -3.095 1.00 0.00 C ATOM 353 CD PRO A 21 9.676 13.027 -2.230 1.00 0.00 C ATOM 0 HA PRO A 21 7.770 15.244 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.990 12.328 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.457 13.751 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.322 12.242 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.514 13.983 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.919 11.990 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.551 13.457 -2.717 1.00 0.00 H new ATOM 361 N CYS A 22 6.425 14.868 0.722 1.00 0.00 N ATOM 362 CA CYS A 22 5.560 14.672 1.870 1.00 0.00 C ATOM 363 C CYS A 22 4.361 13.813 1.496 1.00 0.00 C ATOM 364 O CYS A 22 3.776 13.967 0.424 1.00 0.00 O ATOM 365 CB CYS A 22 5.091 16.014 2.425 1.00 0.00 C ATOM 366 SG CYS A 22 6.454 17.077 2.976 1.00 0.00 S ATOM 0 H CYS A 22 6.416 15.813 0.338 1.00 0.00 H new ATOM 0 HA CYS A 22 6.132 14.156 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.519 16.537 1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.416 15.837 3.262 1.00 0.00 H new ATOM 371 N GLN A 23 4.039 12.888 2.380 1.00 0.00 N ATOM 372 CA GLN A 23 2.857 12.056 2.267 1.00 0.00 C ATOM 373 C GLN A 23 1.637 12.894 2.530 1.00 0.00 C ATOM 374 O GLN A 23 1.731 13.985 3.092 1.00 0.00 O ATOM 375 CB GLN A 23 2.898 10.967 3.326 1.00 0.00 C ATOM 376 CG GLN A 23 1.879 9.856 3.138 1.00 0.00 C ATOM 377 CD GLN A 23 1.993 8.842 4.247 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.774 7.917 4.140 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.171 8.967 5.283 1.00 0.00 N ATOM 0 H GLN A 23 4.600 12.691 3.209 1.00 0.00 H new ATOM 0 HA GLN A 23 2.825 11.620 1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.896 10.528 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.740 11.424 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.873 10.276 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.036 9.370 2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.531 9.760 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.180 8.270 6.028 1.00 0.00 H new ATOM 388 N ASP A 24 0.491 12.360 2.191 1.00 0.00 N ATOM 389 CA ASP A 24 -0.737 13.040 2.479 1.00 0.00 C ATOM 390 C ASP A 24 -0.994 12.862 3.951 1.00 0.00 C ATOM 391 O ASP A 24 -0.931 11.743 4.469 1.00 0.00 O ATOM 392 CB ASP A 24 -1.908 12.468 1.679 1.00 0.00 C ATOM 393 CG ASP A 24 -1.682 12.483 0.184 1.00 0.00 C ATOM 394 OD1 ASP A 24 -2.012 13.495 -0.461 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.196 11.466 -0.355 1.00 0.00 O ATOM 0 H ASP A 24 0.387 11.462 1.718 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.651 14.091 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.091 11.443 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.808 13.039 1.908 1.00 0.00 H new ATOM 400 N TRP A 25 -1.226 13.957 4.634 1.00 0.00 N ATOM 401 CA TRP A 25 -1.640 13.909 6.022 1.00 0.00 C ATOM 402 C TRP A 25 -2.869 13.029 6.136 1.00 0.00 C ATOM 403 O TRP A 25 -3.093 12.362 7.139 1.00 0.00 O ATOM 404 CB TRP A 25 -1.950 15.314 6.516 1.00 0.00 C ATOM 405 CG TRP A 25 -0.855 16.281 6.218 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.700 16.999 5.079 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.240 16.630 7.065 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.421 17.771 5.168 1.00 0.00 N ATOM 409 CE2 TRP A 25 1.013 17.570 6.382 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.631 16.241 8.337 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.164 18.132 6.931 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.768 16.792 8.891 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.525 17.730 8.191 1.00 0.00 C ATOM 0 H TRP A 25 -1.135 14.898 4.252 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.839 13.496 6.635 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.873 15.662 6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.123 15.287 7.592 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.365 16.965 4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.763 18.400 4.442 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.052 15.515 8.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.749 18.857 6.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.076 16.492 9.882 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.410 18.147 8.649 1.00 0.00 H new ATOM 424 N ALA A 26 -3.654 13.045 5.073 1.00 0.00 N ATOM 425 CA ALA A 26 -4.840 12.216 4.963 1.00 0.00 C ATOM 426 C ALA A 26 -4.519 10.758 4.610 1.00 0.00 C ATOM 427 O ALA A 26 -5.367 9.886 4.796 1.00 0.00 O ATOM 428 CB ALA A 26 -5.791 12.809 3.937 1.00 0.00 C ATOM 0 H ALA A 26 -3.485 13.636 4.259 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.314 12.203 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.679 12.182 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.081 13.813 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.296 12.858 2.967 1.00 0.00 H new ATOM 434 N ALA A 27 -3.308 10.469 4.117 1.00 0.00 N ATOM 435 CA ALA A 27 -3.015 9.131 3.631 1.00 0.00 C ATOM 436 C ALA A 27 -2.295 8.351 4.700 1.00 0.00 C ATOM 437 O ALA A 27 -1.533 8.912 5.458 1.00 0.00 O ATOM 438 CB ALA A 27 -2.180 9.174 2.361 1.00 0.00 C ATOM 0 H ALA A 27 -2.536 11.132 4.048 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.958 8.639 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.978 8.157 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.725 9.712 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.237 9.683 2.562 1.00 0.00 H new ATOM 444 N GLN A 28 -2.517 7.059 4.731 1.00 0.00 N ATOM 445 CA GLN A 28 -1.967 6.194 5.742 1.00 0.00 C ATOM 446 C GLN A 28 -0.874 5.395 5.108 1.00 0.00 C ATOM 447 O GLN A 28 -0.451 4.372 5.619 1.00 0.00 O ATOM 448 CB GLN A 28 -3.038 5.236 6.271 1.00 0.00 C ATOM 449 CG GLN A 28 -4.160 5.926 7.010 1.00 0.00 C ATOM 450 CD GLN A 28 -3.629 6.788 8.120 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.425 6.323 9.231 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.376 8.047 7.818 1.00 0.00 N ATOM 0 H GLN A 28 -3.094 6.574 4.044 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.593 6.790 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.456 4.676 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.568 4.512 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.735 6.537 6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.842 5.181 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.562 8.393 6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.994 8.674 8.526 1.00 0.00 H new ATOM 461 N GLU A 29 -0.458 5.838 3.950 1.00 0.00 N ATOM 462 CA GLU A 29 0.496 5.091 3.188 1.00 0.00 C ATOM 463 C GLU A 29 1.410 5.987 2.374 1.00 0.00 C ATOM 464 O GLU A 29 0.990 7.036 1.887 1.00 0.00 O ATOM 465 CB GLU A 29 -0.238 4.111 2.294 1.00 0.00 C ATOM 466 CG GLU A 29 -0.882 2.956 3.032 1.00 0.00 C ATOM 467 CD GLU A 29 -1.402 1.892 2.098 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.367 2.172 1.357 1.00 0.00 O ATOM 469 OE2 GLU A 29 -0.846 0.775 2.098 1.00 0.00 O ATOM 0 H GLU A 29 -0.766 6.710 3.519 1.00 0.00 H new ATOM 0 HA GLU A 29 1.136 4.546 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.008 4.648 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.462 3.713 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.155 2.513 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.703 3.332 3.643 1.00 0.00 H new ATOM 476 N PRO A 30 2.681 5.578 2.214 1.00 0.00 N ATOM 477 CA PRO A 30 3.201 4.313 2.758 1.00 0.00 C ATOM 478 C PRO A 30 3.505 4.377 4.259 1.00 0.00 C ATOM 479 O PRO A 30 4.275 3.573 4.777 1.00 0.00 O ATOM 480 CB PRO A 30 4.501 4.083 1.969 1.00 0.00 C ATOM 481 CG PRO A 30 4.575 5.182 0.954 1.00 0.00 C ATOM 482 CD PRO A 30 3.709 6.295 1.464 1.00 0.00 C ATOM 0 HA PRO A 30 2.467 3.514 2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.367 4.106 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.495 3.106 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.603 5.520 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.227 4.835 -0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.266 6.985 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.283 6.882 0.651 1.00 0.00 H new ATOM 490 N HIS A 31 2.906 5.337 4.952 1.00 0.00 N ATOM 491 CA HIS A 31 3.116 5.506 6.380 1.00 0.00 C ATOM 492 C HIS A 31 1.774 5.650 7.064 1.00 0.00 C ATOM 493 O HIS A 31 1.081 6.669 6.909 1.00 0.00 O ATOM 494 CB HIS A 31 4.015 6.721 6.668 1.00 0.00 C ATOM 495 CG HIS A 31 5.408 6.549 6.147 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.710 6.584 4.807 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.575 6.305 6.787 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.997 6.361 4.640 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.548 6.191 5.824 1.00 0.00 N ATOM 0 H HIS A 31 2.265 6.016 4.541 1.00 0.00 H new ATOM 0 HA HIS A 31 3.627 4.627 6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.571 7.610 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.053 6.892 7.744 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.715 6.217 7.854 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.513 6.324 3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.536 6.005 5.998 1.00 0.00 H new ATOM 508 N ARG A 32 1.384 4.609 7.783 1.00 0.00 N ATOM 509 CA ARG A 32 0.076 4.575 8.408 1.00 0.00 C ATOM 510 C ARG A 32 0.086 5.492 9.622 1.00 0.00 C ATOM 511 O ARG A 32 0.815 5.244 10.580 1.00 0.00 O ATOM 512 CB ARG A 32 -0.310 3.145 8.833 1.00 0.00 C ATOM 513 CG ARG A 32 -0.648 2.208 7.677 1.00 0.00 C ATOM 514 CD ARG A 32 0.592 1.737 6.927 1.00 0.00 C ATOM 515 NE ARG A 32 0.251 1.085 5.658 1.00 0.00 N ATOM 516 CZ ARG A 32 0.841 -0.021 5.197 1.00 0.00 C ATOM 517 NH1 ARG A 32 1.731 -0.660 5.938 1.00 0.00 N ATOM 518 NH2 ARG A 32 0.523 -0.497 3.999 1.00 0.00 N ATOM 0 H ARG A 32 1.955 3.780 7.947 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.665 4.915 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.513 2.715 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.168 3.198 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.187 1.342 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.316 2.718 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.244 2.589 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.152 1.042 7.553 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.485 1.504 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.969 -0.308 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.179 -1.504 5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.173 -0.018 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.975 -1.342 3.649 1.00 0.00 H new ATOM 532 N HIS A 33 -0.702 6.555 9.593 1.00 0.00 N ATOM 533 CA HIS A 33 -0.658 7.525 10.687 1.00 0.00 C ATOM 534 C HIS A 33 -2.027 8.155 10.936 1.00 0.00 C ATOM 535 O HIS A 33 -2.458 9.078 10.244 1.00 0.00 O ATOM 536 CB HIS A 33 0.392 8.614 10.418 1.00 0.00 C ATOM 537 CG HIS A 33 0.030 9.503 9.281 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.137 10.850 9.407 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.273 9.209 8.020 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.535 11.360 8.268 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.619 10.386 7.400 1.00 0.00 N ATOM 0 H HIS A 33 -1.365 6.769 8.848 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.370 6.982 11.587 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.520 9.217 11.317 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.352 8.142 10.211 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.024 11.382 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.251 8.229 7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.755 12.400 8.079 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.896 10.483 6.423 1.00 0.00 H new ATOM 550 N SER A 34 -2.719 7.631 11.912 1.00 0.00 N ATOM 551 CA SER A 34 -3.984 8.211 12.350 1.00 0.00 C ATOM 552 C SER A 34 -3.735 9.445 13.228 1.00 0.00 C ATOM 553 O SER A 34 -4.498 9.732 14.150 1.00 0.00 O ATOM 554 CB SER A 34 -4.794 7.172 13.129 1.00 0.00 C ATOM 555 OG SER A 34 -4.948 5.978 12.381 1.00 0.00 O ATOM 0 H SER A 34 -2.435 6.799 12.429 1.00 0.00 H new ATOM 0 HA SER A 34 -4.548 8.518 11.469 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.296 6.951 14.073 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.775 7.580 13.374 1.00 0.00 H new ATOM 0 HG SER A 34 -5.467 5.330 12.902 1.00 0.00 H new ATOM 561 N ILE A 35 -2.663 10.171 12.926 1.00 0.00 N ATOM 562 CA ILE A 35 -2.233 11.295 13.721 1.00 0.00 C ATOM 563 C ILE A 35 -1.725 12.373 12.792 1.00 0.00 C ATOM 564 O ILE A 35 -1.154 12.068 11.735 1.00 0.00 O ATOM 565 CB ILE A 35 -1.125 10.916 14.731 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.058 10.270 14.004 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.673 9.988 15.808 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.219 9.920 14.910 1.00 0.00 C ATOM 0 H ILE A 35 -2.071 9.987 12.116 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.086 11.647 14.301 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.774 11.825 15.218 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.286 9.364 13.505 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.409 10.949 13.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.877 9.733 16.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.481 10.488 16.343 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.053 9.078 15.345 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.017 9.467 14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.592 10.825 15.390 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.886 9.216 15.672 1.00 0.00 H new ATOM 580 N PHE A 36 -1.924 13.617 13.188 1.00 0.00 N ATOM 581 CA PHE A 36 -1.617 14.755 12.363 1.00 0.00 C ATOM 582 C PHE A 36 -2.213 14.605 10.972 1.00 0.00 C ATOM 583 O PHE A 36 -1.548 14.781 9.955 1.00 0.00 O ATOM 584 CB PHE A 36 -0.113 14.998 12.330 1.00 0.00 C ATOM 585 CG PHE A 36 0.497 15.061 13.705 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.350 16.189 14.495 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.207 13.986 14.213 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.903 16.245 15.760 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.761 14.035 15.477 1.00 0.00 C ATOM 590 CZ PHE A 36 1.608 15.165 16.250 1.00 0.00 C ATOM 0 H PHE A 36 -2.307 13.861 14.101 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.079 15.639 12.802 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.367 14.202 11.761 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.088 15.932 11.805 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.204 17.036 14.117 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.329 13.097 13.612 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.784 17.132 16.364 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.313 13.189 15.859 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.040 15.205 17.239 1.00 0.00 H new ATOM 600 N THR A 37 -3.475 14.235 10.958 1.00 0.00 N ATOM 601 CA THR A 37 -4.270 14.222 9.751 1.00 0.00 C ATOM 602 C THR A 37 -5.137 15.479 9.717 1.00 0.00 C ATOM 603 O THR A 37 -5.163 16.236 10.690 1.00 0.00 O ATOM 604 CB THR A 37 -5.195 12.988 9.705 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.223 13.119 10.696 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.417 11.704 9.949 1.00 0.00 C ATOM 0 H THR A 37 -3.981 13.933 11.790 1.00 0.00 H new ATOM 0 HA THR A 37 -3.596 14.187 8.895 1.00 0.00 H new ATOM 0 HB THR A 37 -5.639 12.935 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.814 13.255 11.576 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.097 10.853 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.651 11.591 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.944 11.746 10.930 1.00 0.00 H new ATOM 614 N PRO A 38 -5.874 15.721 8.624 1.00 0.00 N ATOM 615 CA PRO A 38 -6.873 16.789 8.587 1.00 0.00 C ATOM 616 C PRO A 38 -8.029 16.502 9.542 1.00 0.00 C ATOM 617 O PRO A 38 -8.799 17.393 9.899 1.00 0.00 O ATOM 618 CB PRO A 38 -7.378 16.779 7.142 1.00 0.00 C ATOM 619 CG PRO A 38 -6.379 15.983 6.370 1.00 0.00 C ATOM 620 CD PRO A 38 -5.779 15.011 7.341 1.00 0.00 C ATOM 0 HA PRO A 38 -6.454 17.748 8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.370 16.331 7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.459 17.792 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.855 15.461 5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.613 16.629 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.327 14.069 7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.746 14.773 7.087 1.00 0.00 H new ATOM 628 N GLU A 39 -8.126 15.247 9.970 1.00 0.00 N ATOM 629 CA GLU A 39 -9.234 14.805 10.795 1.00 0.00 C ATOM 630 C GLU A 39 -8.892 14.962 12.270 1.00 0.00 C ATOM 631 O GLU A 39 -9.755 15.279 13.088 1.00 0.00 O ATOM 632 CB GLU A 39 -9.560 13.342 10.491 1.00 0.00 C ATOM 633 CG GLU A 39 -9.757 13.055 9.010 1.00 0.00 C ATOM 634 CD GLU A 39 -10.850 13.898 8.391 1.00 0.00 C ATOM 635 OE1 GLU A 39 -12.027 13.715 8.765 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.543 14.736 7.519 1.00 0.00 O ATOM 0 H GLU A 39 -7.445 14.519 9.755 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.104 15.421 10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.755 12.713 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.465 13.061 11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.821 13.236 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.999 12.000 8.878 1.00 0.00 H new ATOM 643 N THR A 40 -7.624 14.757 12.596 1.00 0.00 N ATOM 644 CA THR A 40 -7.174 14.794 13.975 1.00 0.00 C ATOM 645 C THR A 40 -6.661 16.180 14.332 1.00 0.00 C ATOM 646 O THR A 40 -6.589 16.550 15.505 1.00 0.00 O ATOM 647 CB THR A 40 -6.061 13.758 14.215 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.986 13.972 13.291 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.595 12.342 14.056 1.00 0.00 C ATOM 0 H THR A 40 -6.887 14.562 11.918 1.00 0.00 H new ATOM 0 HA THR A 40 -8.026 14.552 14.610 1.00 0.00 H new ATOM 0 HB THR A 40 -5.696 13.880 15.235 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.457 14.745 13.578 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.790 11.628 14.230 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.394 12.171 14.777 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.984 12.211 13.046 1.00 0.00 H new ATOM 657 N ASN A 41 -6.311 16.953 13.310 1.00 0.00 N ATOM 658 CA ASN A 41 -5.763 18.282 13.521 1.00 0.00 C ATOM 659 C ASN A 41 -6.431 19.304 12.611 1.00 0.00 C ATOM 660 O ASN A 41 -5.785 19.905 11.762 1.00 0.00 O ATOM 661 CB ASN A 41 -4.257 18.272 13.273 1.00 0.00 C ATOM 662 CG ASN A 41 -3.522 17.453 14.305 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.388 16.239 14.179 1.00 0.00 O ATOM 664 ND2 ASN A 41 -3.037 18.120 15.333 1.00 0.00 N ATOM 0 H ASN A 41 -6.398 16.681 12.331 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.958 18.568 14.555 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.055 17.870 12.280 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.880 19.295 13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.526 17.627 16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.173 19.129 15.396 1.00 0.00 H new ATOM 671 N PRO A 42 -7.733 19.548 12.799 1.00 0.00 N ATOM 672 CA PRO A 42 -8.482 20.499 11.975 1.00 0.00 C ATOM 673 C PRO A 42 -8.206 21.946 12.387 1.00 0.00 C ATOM 674 O PRO A 42 -9.025 22.838 12.171 1.00 0.00 O ATOM 675 CB PRO A 42 -9.938 20.121 12.249 1.00 0.00 C ATOM 676 CG PRO A 42 -9.931 19.564 13.632 1.00 0.00 C ATOM 677 CD PRO A 42 -8.581 18.924 13.831 1.00 0.00 C ATOM 0 HA PRO A 42 -8.211 20.448 10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.593 20.989 12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.299 19.387 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.099 20.351 14.367 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.729 18.833 13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.194 19.112 14.832 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.630 17.842 13.706 1.00 0.00 H new ATOM 685 N ARG A 43 -7.035 22.166 12.975 1.00 0.00 N ATOM 686 CA ARG A 43 -6.654 23.472 13.487 1.00 0.00 C ATOM 687 C ARG A 43 -5.459 24.042 12.733 1.00 0.00 C ATOM 688 O ARG A 43 -5.147 25.222 12.860 1.00 0.00 O ATOM 689 CB ARG A 43 -6.313 23.347 14.968 1.00 0.00 C ATOM 690 CG ARG A 43 -5.171 22.384 15.234 1.00 0.00 C ATOM 691 CD ARG A 43 -5.401 21.589 16.505 1.00 0.00 C ATOM 692 NE ARG A 43 -5.575 22.448 17.668 1.00 0.00 N ATOM 693 CZ ARG A 43 -6.207 22.072 18.781 1.00 0.00 C ATOM 694 NH1 ARG A 43 -6.727 20.850 18.873 1.00 0.00 N ATOM 695 NH2 ARG A 43 -6.331 22.920 19.793 1.00 0.00 N ATOM 0 H ARG A 43 -6.327 21.444 13.109 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.493 24.154 13.347 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.051 24.330 15.359 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.197 23.013 15.512 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.065 21.702 14.391 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.236 22.939 15.315 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.284 20.961 16.384 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.556 20.921 16.672 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.191 23.392 17.629 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.642 20.200 18.092 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.210 20.564 19.725 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.943 23.861 19.721 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.814 22.632 20.644 1.00 0.00 H new ATOM 709 N ALA A 44 -4.782 23.210 11.951 1.00 0.00 N ATOM 710 CA ALA A 44 -3.575 23.656 11.277 1.00 0.00 C ATOM 711 C ALA A 44 -3.740 23.636 9.766 1.00 0.00 C ATOM 712 O ALA A 44 -2.801 23.904 9.030 1.00 0.00 O ATOM 713 CB ALA A 44 -2.379 22.819 11.711 1.00 0.00 C ATOM 0 H ALA A 44 -5.044 22.241 11.771 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.392 24.690 11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.484 23.168 11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.239 22.916 12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.557 21.773 11.461 1.00 0.00 H new ATOM 719 N GLY A 45 -4.941 23.317 9.317 1.00 0.00 N ATOM 720 CA GLY A 45 -5.247 23.366 7.900 1.00 0.00 C ATOM 721 C GLY A 45 -4.465 22.353 7.095 1.00 0.00 C ATOM 722 O GLY A 45 -3.984 22.661 6.011 1.00 0.00 O ATOM 0 H GLY A 45 -5.716 23.023 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.313 23.191 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.034 24.366 7.522 1.00 0.00 H new ATOM 726 N LEU A 46 -4.338 21.145 7.624 1.00 0.00 N ATOM 727 CA LEU A 46 -3.563 20.101 6.970 1.00 0.00 C ATOM 728 C LEU A 46 -4.285 19.611 5.721 1.00 0.00 C ATOM 729 O LEU A 46 -5.224 18.824 5.805 1.00 0.00 O ATOM 730 CB LEU A 46 -3.299 18.929 7.928 1.00 0.00 C ATOM 731 CG LEU A 46 -2.458 19.275 9.167 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.301 19.929 10.237 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.769 18.041 9.727 1.00 0.00 C ATOM 0 H LEU A 46 -4.763 20.863 8.507 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.602 20.524 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.257 18.528 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.795 18.136 7.376 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.693 19.984 8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.677 20.161 11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.736 20.848 9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.098 19.249 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.182 18.318 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.519 17.303 10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.111 17.616 8.969 1.00 0.00 H new ATOM 745 N GLU A 47 -3.861 20.105 4.568 1.00 0.00 N ATOM 746 CA GLU A 47 -4.464 19.716 3.309 1.00 0.00 C ATOM 747 C GLU A 47 -3.503 18.867 2.520 1.00 0.00 C ATOM 748 O GLU A 47 -2.290 19.065 2.610 1.00 0.00 O ATOM 749 CB GLU A 47 -4.812 20.935 2.469 1.00 0.00 C ATOM 750 CG GLU A 47 -5.823 20.648 1.371 1.00 0.00 C ATOM 751 CD GLU A 47 -5.858 21.716 0.298 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.363 22.836 0.541 1.00 0.00 O ATOM 753 OE2 GLU A 47 -6.368 21.427 -0.809 1.00 0.00 O ATOM 0 H GLU A 47 -3.099 20.778 4.481 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.373 19.159 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.207 21.714 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.900 21.328 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.588 19.688 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.814 20.555 1.814 1.00 0.00 H new ATOM 760 N LYS A 48 -4.059 17.956 1.736 1.00 0.00 N ATOM 761 CA LYS A 48 -3.280 17.153 0.802 1.00 0.00 C ATOM 762 C LYS A 48 -2.033 16.583 1.469 1.00 0.00 C ATOM 763 O LYS A 48 -2.116 15.723 2.349 1.00 0.00 O ATOM 764 CB LYS A 48 -2.882 18.008 -0.401 1.00 0.00 C ATOM 765 CG LYS A 48 -4.059 18.529 -1.212 1.00 0.00 C ATOM 766 CD LYS A 48 -4.954 17.410 -1.708 1.00 0.00 C ATOM 767 CE LYS A 48 -6.108 17.957 -2.533 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.934 18.930 -1.766 1.00 0.00 N ATOM 0 H LYS A 48 -5.058 17.752 1.728 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.897 16.317 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.293 18.856 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.238 17.419 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.644 19.215 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.687 19.099 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.371 16.713 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.344 16.849 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.716 18.441 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.737 17.132 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.791 19.161 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.204 18.512 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.385 19.797 -1.601 1.00 0.00 H new ATOM 782 N ASN A 49 -0.883 17.110 1.068 1.00 0.00 N ATOM 783 CA ASN A 49 0.383 16.757 1.660 1.00 0.00 C ATOM 784 C ASN A 49 1.209 18.013 1.903 1.00 0.00 C ATOM 785 O ASN A 49 2.420 17.940 2.106 1.00 0.00 O ATOM 786 CB ASN A 49 1.135 15.774 0.757 1.00 0.00 C ATOM 787 CG ASN A 49 1.476 16.326 -0.621 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.756 17.163 -1.176 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.579 15.845 -1.186 1.00 0.00 N ATOM 0 H ASN A 49 -0.811 17.798 0.318 1.00 0.00 H new ATOM 0 HA ASN A 49 0.206 16.269 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.058 15.474 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.531 14.874 0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.859 16.166 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.145 15.155 -0.693 1.00 0.00 H new ATOM 796 N TYR A 50 0.539 19.171 1.895 1.00 0.00 N ATOM 797 CA TYR A 50 1.230 20.449 2.107 1.00 0.00 C ATOM 798 C TYR A 50 1.779 20.517 3.521 1.00 0.00 C ATOM 799 O TYR A 50 1.044 20.305 4.482 1.00 0.00 O ATOM 800 CB TYR A 50 0.297 21.638 1.891 1.00 0.00 C ATOM 801 CG TYR A 50 -0.490 21.585 0.608 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.138 21.637 -0.629 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.868 21.494 0.638 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.592 21.599 -1.801 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.606 21.453 -0.522 1.00 0.00 C ATOM 806 CZ TYR A 50 -1.966 21.504 -1.742 1.00 0.00 C ATOM 807 OH TYR A 50 -2.703 21.469 -2.905 1.00 0.00 O ATOM 0 H TYR A 50 -0.467 19.251 1.746 1.00 0.00 H new ATOM 0 HA TYR A 50 2.041 20.502 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.399 21.695 2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.887 22.554 1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.215 21.708 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.376 21.454 1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.090 21.643 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.683 21.381 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.656 21.400 -2.687 1.00 0.00 H new ATOM 817 N CYS A 51 3.058 20.838 3.635 1.00 0.00 N ATOM 818 CA CYS A 51 3.758 20.828 4.910 1.00 0.00 C ATOM 819 C CYS A 51 3.047 21.665 5.966 1.00 0.00 C ATOM 820 O CYS A 51 2.400 22.667 5.658 1.00 0.00 O ATOM 821 CB CYS A 51 5.176 21.334 4.709 1.00 0.00 C ATOM 822 SG CYS A 51 6.165 20.291 3.603 1.00 0.00 S ATOM 0 H CYS A 51 3.641 21.113 2.845 1.00 0.00 H new ATOM 0 HA CYS A 51 3.775 19.801 5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.139 22.346 4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.672 21.396 5.678 1.00 0.00 H new ATOM 827 N ARG A 52 3.185 21.247 7.216 1.00 0.00 N ATOM 828 CA ARG A 52 2.478 21.868 8.330 1.00 0.00 C ATOM 829 C ARG A 52 3.248 21.645 9.619 1.00 0.00 C ATOM 830 O ARG A 52 4.057 20.725 9.704 1.00 0.00 O ATOM 831 CB ARG A 52 1.072 21.264 8.469 1.00 0.00 C ATOM 832 CG ARG A 52 0.114 21.660 7.359 1.00 0.00 C ATOM 833 CD ARG A 52 -0.430 23.059 7.580 1.00 0.00 C ATOM 834 NE ARG A 52 -0.353 23.923 6.396 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.874 23.642 5.191 1.00 0.00 C ATOM 836 NH1 ARG A 52 -1.438 22.469 4.945 1.00 0.00 N ATOM 837 NH2 ARG A 52 -0.813 24.540 4.220 1.00 0.00 N ATOM 0 H ARG A 52 3.788 20.470 7.487 1.00 0.00 H new ATOM 0 HA ARG A 52 2.393 22.937 8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.156 20.177 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.649 21.571 9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.627 21.613 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.711 20.949 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.470 22.987 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.121 23.527 8.396 1.00 0.00 H new ATOM 0 HE ARG A 52 0.138 24.812 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.482 21.761 5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.828 22.274 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.371 25.444 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.208 24.328 3.304 1.00 0.00 H new ATOM 851 N ASN A 53 3.027 22.486 10.617 1.00 0.00 N ATOM 852 CA ASN A 53 3.581 22.225 11.927 1.00 0.00 C ATOM 853 C ASN A 53 2.466 22.160 12.969 1.00 0.00 C ATOM 854 O ASN A 53 2.201 23.144 13.657 1.00 0.00 O ATOM 855 CB ASN A 53 4.593 23.300 12.319 1.00 0.00 C ATOM 856 CG ASN A 53 5.584 22.786 13.338 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.335 21.780 14.006 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.690 23.490 13.491 1.00 0.00 N ATOM 0 H ASN A 53 2.476 23.341 10.543 1.00 0.00 H new ATOM 0 HA ASN A 53 4.095 21.265 11.889 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.126 23.640 11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.068 24.164 12.725 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.382 23.208 14.185 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.853 24.316 12.915 1.00 0.00 H new ATOM 865 N PRO A 54 1.781 21.003 13.087 1.00 0.00 N ATOM 866 CA PRO A 54 0.722 20.816 14.081 1.00 0.00 C ATOM 867 C PRO A 54 1.242 20.915 15.508 1.00 0.00 C ATOM 868 O PRO A 54 0.497 21.245 16.429 1.00 0.00 O ATOM 869 CB PRO A 54 0.188 19.407 13.816 1.00 0.00 C ATOM 870 CG PRO A 54 0.703 19.019 12.476 1.00 0.00 C ATOM 871 CD PRO A 54 1.967 19.806 12.259 1.00 0.00 C ATOM 0 HA PRO A 54 -0.039 21.591 13.990 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.529 18.710 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.902 19.393 13.834 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.901 17.948 12.432 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.030 19.240 11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.847 19.241 12.565 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.103 20.063 11.209 1.00 0.00 H new ATOM 879 N ASP A 55 2.528 20.642 15.678 1.00 0.00 N ATOM 880 CA ASP A 55 3.153 20.698 16.991 1.00 0.00 C ATOM 881 C ASP A 55 3.660 22.091 17.249 1.00 0.00 C ATOM 882 O ASP A 55 3.763 22.548 18.388 1.00 0.00 O ATOM 883 CB ASP A 55 4.350 19.753 17.067 1.00 0.00 C ATOM 884 CG ASP A 55 4.798 19.502 18.495 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.972 19.045 19.312 1.00 0.00 O ATOM 886 OD2 ASP A 55 5.980 19.760 18.809 1.00 0.00 O ATOM 0 H ASP A 55 3.159 20.379 14.921 1.00 0.00 H new ATOM 0 HA ASP A 55 2.405 20.407 17.728 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.091 18.804 16.598 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.179 20.174 16.498 1.00 0.00 H new ATOM 891 N GLY A 56 3.970 22.759 16.155 1.00 0.00 N ATOM 892 CA GLY A 56 4.728 23.971 16.215 1.00 0.00 C ATOM 893 C GLY A 56 6.096 23.692 16.766 1.00 0.00 C ATOM 894 O GLY A 56 6.607 24.443 17.593 1.00 0.00 O ATOM 0 H GLY A 56 3.702 22.472 15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.810 24.409 15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.215 24.700 16.843 1.00 0.00 H new ATOM 898 N ASP A 57 6.653 22.555 16.340 1.00 0.00 N ATOM 899 CA ASP A 57 8.044 22.220 16.614 1.00 0.00 C ATOM 900 C ASP A 57 8.928 23.435 16.382 1.00 0.00 C ATOM 901 O ASP A 57 8.809 24.098 15.347 1.00 0.00 O ATOM 902 CB ASP A 57 8.511 21.098 15.685 1.00 0.00 C ATOM 903 CG ASP A 57 9.770 20.415 16.180 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.869 20.954 15.959 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.659 19.329 16.791 1.00 0.00 O ATOM 0 H ASP A 57 6.153 21.849 15.800 1.00 0.00 H new ATOM 0 HA ASP A 57 8.119 21.896 17.652 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.716 20.359 15.587 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.691 21.506 14.691 1.00 0.00 H new ATOM 910 N VAL A 58 9.821 23.707 17.325 1.00 0.00 N ATOM 911 CA VAL A 58 10.690 24.884 17.262 1.00 0.00 C ATOM 912 C VAL A 58 11.746 24.726 16.159 1.00 0.00 C ATOM 913 O VAL A 58 12.635 25.567 15.988 1.00 0.00 O ATOM 914 CB VAL A 58 11.385 25.134 18.622 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.977 26.534 18.686 1.00 0.00 C ATOM 916 CG2 VAL A 58 10.413 24.915 19.774 1.00 0.00 C ATOM 0 H VAL A 58 9.966 23.126 18.150 1.00 0.00 H new ATOM 0 HA VAL A 58 10.063 25.744 17.027 1.00 0.00 H new ATOM 0 HB VAL A 58 12.200 24.416 18.716 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.459 26.681 19.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.713 26.654 17.891 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.184 27.271 18.560 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.923 25.096 20.720 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.573 25.603 19.677 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.046 23.889 19.750 1.00 0.00 H new ATOM 926 N GLY A 59 11.623 23.655 15.396 1.00 0.00 N ATOM 927 CA GLY A 59 12.540 23.393 14.325 1.00 0.00 C ATOM 928 C GLY A 59 11.949 23.807 13.005 1.00 0.00 C ATOM 929 O GLY A 59 12.668 23.988 12.020 1.00 0.00 O ATOM 0 H GLY A 59 10.890 22.955 15.507 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.471 23.932 14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.786 22.331 14.302 1.00 0.00 H new ATOM 933 N GLY A 60 10.630 23.968 12.980 1.00 0.00 N ATOM 934 CA GLY A 60 9.979 24.407 11.771 1.00 0.00 C ATOM 935 C GLY A 60 8.953 23.408 11.310 1.00 0.00 C ATOM 936 O GLY A 60 8.778 22.369 11.948 1.00 0.00 O ATOM 0 H GLY A 60 10.009 23.802 13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.500 25.371 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.723 24.556 10.988 1.00 0.00 H new ATOM 940 N PRO A 61 8.263 23.684 10.204 1.00 0.00 N ATOM 941 CA PRO A 61 7.199 22.827 9.722 1.00 0.00 C ATOM 942 C PRO A 61 7.741 21.537 9.158 1.00 0.00 C ATOM 943 O PRO A 61 8.893 21.453 8.724 1.00 0.00 O ATOM 944 CB PRO A 61 6.530 23.649 8.633 1.00 0.00 C ATOM 945 CG PRO A 61 7.601 24.536 8.140 1.00 0.00 C ATOM 946 CD PRO A 61 8.488 24.829 9.318 1.00 0.00 C ATOM 0 HA PRO A 61 6.513 22.536 10.517 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.141 23.014 7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.689 24.220 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.165 24.056 7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.185 25.456 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.534 24.910 9.023 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.219 25.769 9.800 1.00 0.00 H new ATOM 954 N TRP A 62 6.891 20.552 9.130 1.00 0.00 N ATOM 955 CA TRP A 62 7.292 19.216 8.816 1.00 0.00 C ATOM 956 C TRP A 62 6.170 18.532 8.084 1.00 0.00 C ATOM 957 O TRP A 62 5.188 19.167 7.688 1.00 0.00 O ATOM 958 CB TRP A 62 7.635 18.459 10.106 1.00 0.00 C ATOM 959 CG TRP A 62 6.524 18.478 11.109 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.169 19.520 11.898 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.626 17.414 11.429 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.096 19.176 12.681 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.752 17.889 12.419 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.476 16.111 10.976 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.739 17.110 12.963 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.473 15.334 11.516 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.616 15.834 12.500 1.00 0.00 C ATOM 0 H TRP A 62 5.895 20.656 9.326 1.00 0.00 H new ATOM 0 HA TRP A 62 8.179 19.231 8.182 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.877 17.425 9.860 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.527 18.898 10.552 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.659 20.482 11.909 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.632 19.788 13.352 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.132 15.713 10.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.076 17.499 13.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.347 14.318 11.171 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.841 15.197 12.901 1.00 0.00 H new ATOM 978 N CYS A 63 6.329 17.254 7.901 1.00 0.00 N ATOM 979 CA CYS A 63 5.347 16.450 7.231 1.00 0.00 C ATOM 980 C CYS A 63 5.690 14.992 7.435 1.00 0.00 C ATOM 981 O CYS A 63 6.660 14.668 8.116 1.00 0.00 O ATOM 982 CB CYS A 63 5.312 16.799 5.745 1.00 0.00 C ATOM 983 SG CYS A 63 6.837 16.381 4.840 1.00 0.00 S ATOM 0 H CYS A 63 7.150 16.736 8.214 1.00 0.00 H new ATOM 0 HA CYS A 63 4.358 16.646 7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.474 16.278 5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.122 17.867 5.639 1.00 0.00 H new ATOM 988 N TYR A 64 4.901 14.121 6.858 1.00 0.00 N ATOM 989 CA TYR A 64 5.231 12.715 6.841 1.00 0.00 C ATOM 990 C TYR A 64 5.803 12.417 5.489 1.00 0.00 C ATOM 991 O TYR A 64 5.386 13.022 4.517 1.00 0.00 O ATOM 992 CB TYR A 64 4.004 11.866 7.145 1.00 0.00 C ATOM 993 CG TYR A 64 3.643 11.903 8.609 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.432 11.248 9.539 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.527 12.589 9.062 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.126 11.269 10.879 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.213 12.617 10.407 1.00 0.00 C ATOM 998 CZ TYR A 64 3.015 11.954 11.310 1.00 0.00 C ATOM 999 OH TYR A 64 2.704 11.968 12.645 1.00 0.00 O ATOM 0 H TYR A 64 4.025 14.359 6.393 1.00 0.00 H new ATOM 0 HA TYR A 64 5.960 12.472 7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.160 12.223 6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.192 10.836 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.306 10.709 9.205 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.896 13.107 8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.754 10.751 11.588 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.342 13.156 10.749 1.00 0.00 H new ATOM 0 HH TYR A 64 2.606 12.895 12.948 1.00 0.00 H new ATOM 1009 N THR A 65 6.770 11.537 5.403 1.00 0.00 N ATOM 1010 CA THR A 65 7.455 11.364 4.143 1.00 0.00 C ATOM 1011 C THR A 65 6.940 10.123 3.460 1.00 0.00 C ATOM 1012 O THR A 65 6.488 9.193 4.121 1.00 0.00 O ATOM 1013 CB THR A 65 8.980 11.237 4.324 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.313 9.891 4.678 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.491 12.180 5.400 1.00 0.00 C ATOM 0 H THR A 65 7.095 10.944 6.166 1.00 0.00 H new ATOM 0 HA THR A 65 7.259 12.250 3.538 1.00 0.00 H new ATOM 0 HB THR A 65 9.454 11.505 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.395 9.820 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.570 12.065 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.260 13.208 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.010 11.944 6.349 1.00 0.00 H new ATOM 1023 N THR A 66 6.969 10.110 2.147 1.00 0.00 N ATOM 1024 CA THR A 66 6.761 8.876 1.423 1.00 0.00 C ATOM 1025 C THR A 66 8.087 8.104 1.318 1.00 0.00 C ATOM 1026 O THR A 66 8.362 7.435 0.321 1.00 0.00 O ATOM 1027 CB THR A 66 6.171 9.161 0.029 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.993 10.108 -0.661 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.754 9.714 0.141 1.00 0.00 C ATOM 0 H THR A 66 7.133 10.930 1.563 1.00 0.00 H new ATOM 0 HA THR A 66 6.045 8.259 1.966 1.00 0.00 H new ATOM 0 HB THR A 66 6.139 8.223 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.710 10.165 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.359 9.907 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.119 8.988 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.770 10.643 0.711 1.00 0.00 H new ATOM 1037 N ASN A 67 8.899 8.209 2.376 1.00 0.00 N ATOM 1038 CA ASN A 67 10.232 7.610 2.430 1.00 0.00 C ATOM 1039 C ASN A 67 10.287 6.535 3.520 1.00 0.00 C ATOM 1040 O ASN A 67 10.002 6.813 4.686 1.00 0.00 O ATOM 1041 CB ASN A 67 11.251 8.715 2.741 1.00 0.00 C ATOM 1042 CG ASN A 67 12.696 8.278 2.696 1.00 0.00 C ATOM 1043 OD1 ASN A 67 13.018 7.103 2.819 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.583 9.246 2.563 1.00 0.00 N ATOM 0 H ASN A 67 8.645 8.716 3.224 1.00 0.00 H new ATOM 0 HA ASN A 67 10.463 7.143 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.110 9.529 2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.039 9.117 3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.579 9.028 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.272 10.212 2.463 1.00 0.00 H new ATOM 1051 N PRO A 68 10.662 5.297 3.164 1.00 0.00 N ATOM 1052 CA PRO A 68 10.729 4.180 4.118 1.00 0.00 C ATOM 1053 C PRO A 68 11.852 4.318 5.148 1.00 0.00 C ATOM 1054 O PRO A 68 12.002 3.471 6.030 1.00 0.00 O ATOM 1055 CB PRO A 68 10.965 2.947 3.231 1.00 0.00 C ATOM 1056 CG PRO A 68 10.710 3.405 1.831 1.00 0.00 C ATOM 1057 CD PRO A 68 11.027 4.871 1.808 1.00 0.00 C ATOM 0 HA PRO A 68 9.819 4.128 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.983 2.573 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.295 2.132 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.335 2.860 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.673 3.226 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.080 5.055 1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.451 5.399 1.048 1.00 0.00 H new ATOM 1065 N ARG A 69 12.627 5.383 5.046 1.00 0.00 N ATOM 1066 CA ARG A 69 13.709 5.632 5.984 1.00 0.00 C ATOM 1067 C ARG A 69 13.213 6.327 7.249 1.00 0.00 C ATOM 1068 O ARG A 69 13.677 6.036 8.350 1.00 0.00 O ATOM 1069 CB ARG A 69 14.768 6.494 5.317 1.00 0.00 C ATOM 1070 CG ARG A 69 15.612 5.752 4.301 1.00 0.00 C ATOM 1071 CD ARG A 69 16.378 4.610 4.945 1.00 0.00 C ATOM 1072 NE ARG A 69 17.082 5.034 6.159 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.752 4.205 6.958 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.861 2.918 6.644 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.317 4.665 8.067 1.00 0.00 N ATOM 0 H ARG A 69 12.527 6.093 4.320 1.00 0.00 H new ATOM 0 HA ARG A 69 14.130 4.669 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.281 7.336 4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.422 6.909 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.972 5.362 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.312 6.444 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.687 3.803 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.097 4.208 4.231 1.00 0.00 H new ATOM 0 HE ARG A 69 17.057 6.023 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.431 2.563 5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.375 2.285 7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.238 5.653 8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.830 4.030 8.679 1.00 0.00 H new ATOM 1089 N LYS A 70 12.271 7.243 7.089 1.00 0.00 N ATOM 1090 CA LYS A 70 11.773 8.023 8.212 1.00 0.00 C ATOM 1091 C LYS A 70 10.282 8.279 8.051 1.00 0.00 C ATOM 1092 O LYS A 70 9.788 8.474 6.946 1.00 0.00 O ATOM 1093 CB LYS A 70 12.539 9.354 8.342 1.00 0.00 C ATOM 1094 CG LYS A 70 12.384 10.312 7.163 1.00 0.00 C ATOM 1095 CD LYS A 70 13.276 9.939 5.987 1.00 0.00 C ATOM 1096 CE LYS A 70 14.758 10.101 6.313 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.112 11.506 6.647 1.00 0.00 N ATOM 0 H LYS A 70 11.836 7.465 6.193 1.00 0.00 H new ATOM 0 HA LYS A 70 11.935 7.452 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.204 9.860 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.598 9.134 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.344 10.318 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.622 11.325 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.080 8.906 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.024 10.563 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.016 9.454 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.353 9.771 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.825 11.854 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.261 12.101 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.498 11.547 7.612 1.00 0.00 H new ATOM 1111 N LEU A 71 9.571 8.258 9.167 1.00 0.00 N ATOM 1112 CA LEU A 71 8.130 8.475 9.175 1.00 0.00 C ATOM 1113 C LEU A 71 7.806 9.925 8.872 1.00 0.00 C ATOM 1114 O LEU A 71 6.858 10.217 8.144 1.00 0.00 O ATOM 1115 CB LEU A 71 7.557 8.066 10.540 1.00 0.00 C ATOM 1116 CG LEU A 71 6.066 8.349 10.758 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.204 7.490 9.850 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.690 8.119 12.214 1.00 0.00 C ATOM 0 H LEU A 71 9.973 8.091 10.090 1.00 0.00 H new ATOM 0 HA LEU A 71 7.673 7.861 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.727 6.998 10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.121 8.581 11.317 1.00 0.00 H new ATOM 0 HG LEU A 71 5.883 9.394 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.152 7.714 10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.449 7.702 8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.391 6.437 10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.628 8.324 12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.898 7.084 12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.274 8.784 12.850 1.00 0.00 H new ATOM 1130 N TYR A 72 8.619 10.826 9.392 1.00 0.00 N ATOM 1131 CA TYR A 72 8.385 12.242 9.211 1.00 0.00 C ATOM 1132 C TYR A 72 9.714 12.960 9.056 1.00 0.00 C ATOM 1133 O TYR A 72 10.763 12.428 9.427 1.00 0.00 O ATOM 1134 CB TYR A 72 7.604 12.822 10.403 1.00 0.00 C ATOM 1135 CG TYR A 72 8.461 13.156 11.609 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.818 12.182 12.533 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.916 14.454 11.814 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.602 12.495 13.629 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.698 14.772 12.902 1.00 0.00 C ATOM 1140 CZ TYR A 72 10.040 13.792 13.807 1.00 0.00 C ATOM 1141 OH TYR A 72 10.819 14.113 14.895 1.00 0.00 O ATOM 0 H TYR A 72 9.447 10.600 9.943 1.00 0.00 H new ATOM 0 HA TYR A 72 7.788 12.388 8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.087 13.725 10.078 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.838 12.107 10.703 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.479 11.166 12.394 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.651 15.227 11.107 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.870 11.729 14.341 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.042 15.786 13.045 1.00 0.00 H new ATOM 0 HH TYR A 72 11.041 15.067 14.868 1.00 0.00 H new ATOM 1151 N ASP A 73 9.658 14.155 8.505 1.00 0.00 N ATOM 1152 CA ASP A 73 10.840 14.989 8.345 1.00 0.00 C ATOM 1153 C ASP A 73 10.399 16.439 8.255 1.00 0.00 C ATOM 1154 O ASP A 73 9.207 16.716 8.224 1.00 0.00 O ATOM 1155 CB ASP A 73 11.615 14.602 7.082 1.00 0.00 C ATOM 1156 CG ASP A 73 13.107 14.858 7.201 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.503 16.002 7.497 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.890 13.905 6.994 1.00 0.00 O ATOM 0 H ASP A 73 8.798 14.578 8.156 1.00 0.00 H new ATOM 0 HA ASP A 73 11.500 14.846 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.449 13.546 6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.222 15.163 6.235 1.00 0.00 H new ATOM 1163 N TYR A 74 11.350 17.348 8.188 1.00 0.00 N ATOM 1164 CA TYR A 74 11.054 18.772 8.150 1.00 0.00 C ATOM 1165 C TYR A 74 11.011 19.245 6.711 1.00 0.00 C ATOM 1166 O TYR A 74 11.594 18.612 5.842 1.00 0.00 O ATOM 1167 CB TYR A 74 12.115 19.556 8.922 1.00 0.00 C ATOM 1168 CG TYR A 74 12.207 19.165 10.382 1.00 0.00 C ATOM 1169 CD1 TYR A 74 11.396 19.763 11.346 1.00 0.00 C ATOM 1170 CD2 TYR A 74 13.094 18.180 10.794 1.00 0.00 C ATOM 1171 CE1 TYR A 74 11.476 19.389 12.675 1.00 0.00 C ATOM 1172 CE2 TYR A 74 13.180 17.803 12.120 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.367 18.408 13.055 1.00 0.00 C ATOM 1174 OH TYR A 74 12.446 18.028 14.375 1.00 0.00 O ATOM 0 H TYR A 74 12.345 17.126 8.158 1.00 0.00 H new ATOM 0 HA TYR A 74 10.084 18.943 8.617 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.085 19.402 8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.892 20.621 8.852 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.695 20.530 11.050 1.00 0.00 H new ATOM 0 HD2 TYR A 74 13.729 17.699 10.064 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.844 19.863 13.411 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.880 17.039 12.423 1.00 0.00 H new ATOM 0 HH TYR A 74 13.122 17.325 14.473 1.00 0.00 H new ATOM 1184 N CYS A 75 10.314 20.340 6.457 1.00 0.00 N ATOM 1185 CA CYS A 75 10.224 20.876 5.103 1.00 0.00 C ATOM 1186 C CYS A 75 11.067 22.131 4.942 1.00 0.00 C ATOM 1187 O CYS A 75 11.494 22.738 5.925 1.00 0.00 O ATOM 1188 CB CYS A 75 8.778 21.177 4.747 1.00 0.00 C ATOM 1189 SG CYS A 75 7.702 19.720 4.784 1.00 0.00 S ATOM 0 H CYS A 75 9.805 20.874 7.162 1.00 0.00 H new ATOM 0 HA CYS A 75 10.612 20.117 4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.390 21.923 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.742 21.619 3.751 1.00 0.00 H new ATOM 1194 N ASP A 76 11.283 22.531 3.698 1.00 0.00 N ATOM 1195 CA ASP A 76 12.197 23.607 3.379 1.00 0.00 C ATOM 1196 C ASP A 76 11.466 24.909 3.088 1.00 0.00 C ATOM 1197 O ASP A 76 11.925 25.728 2.292 1.00 0.00 O ATOM 1198 CB ASP A 76 13.032 23.203 2.169 1.00 0.00 C ATOM 1199 CG ASP A 76 12.222 23.148 0.881 1.00 0.00 C ATOM 1200 OD1 ASP A 76 11.337 22.272 0.764 1.00 0.00 O ATOM 1201 OD2 ASP A 76 12.464 23.983 -0.018 1.00 0.00 O ATOM 0 H ASP A 76 10.828 22.116 2.885 1.00 0.00 H new ATOM 0 HA ASP A 76 12.836 23.780 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.851 23.911 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.480 22.226 2.353 1.00 0.00 H new ATOM 1206 N VAL A 77 10.351 25.122 3.753 1.00 0.00 N ATOM 1207 CA VAL A 77 9.559 26.313 3.495 1.00 0.00 C ATOM 1208 C VAL A 77 10.108 27.529 4.245 1.00 0.00 C ATOM 1209 O VAL A 77 10.334 27.491 5.455 1.00 0.00 O ATOM 1210 CB VAL A 77 8.065 26.114 3.821 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.863 25.612 5.228 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.300 27.401 3.606 1.00 0.00 C ATOM 0 H VAL A 77 9.974 24.499 4.467 1.00 0.00 H new ATOM 0 HA VAL A 77 9.638 26.501 2.424 1.00 0.00 H new ATOM 0 HB VAL A 77 7.679 25.355 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.798 25.484 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.371 24.655 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.275 26.333 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.247 27.242 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.704 28.177 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.397 27.712 2.566 1.00 0.00 H new ATOM 1222 N PRO A 78 10.343 28.609 3.493 1.00 0.00 N ATOM 1223 CA PRO A 78 10.881 29.878 4.007 1.00 0.00 C ATOM 1224 C PRO A 78 9.983 30.556 5.021 1.00 0.00 C ATOM 1225 O PRO A 78 8.788 30.274 5.124 1.00 0.00 O ATOM 1226 CB PRO A 78 10.985 30.754 2.748 1.00 0.00 C ATOM 1227 CG PRO A 78 10.060 30.124 1.759 1.00 0.00 C ATOM 1228 CD PRO A 78 10.122 28.662 2.039 1.00 0.00 C ATOM 0 HA PRO A 78 11.821 29.715 4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.695 31.783 2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.007 30.782 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.045 30.504 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.369 30.342 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.199 28.157 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.932 28.181 1.490 1.00 0.00 H new ATOM 1236 N GLN A 79 10.587 31.462 5.764 1.00 0.00 N ATOM 1237 CA GLN A 79 9.888 32.234 6.759 1.00 0.00 C ATOM 1238 C GLN A 79 9.038 33.315 6.100 1.00 0.00 C ATOM 1239 O GLN A 79 9.552 34.235 5.467 1.00 0.00 O ATOM 1240 CB GLN A 79 10.891 32.849 7.735 1.00 0.00 C ATOM 1241 CG GLN A 79 10.233 33.634 8.840 1.00 0.00 C ATOM 1242 CD GLN A 79 9.317 32.774 9.678 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.292 33.250 10.142 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.674 31.497 9.860 1.00 0.00 N ATOM 0 H GLN A 79 11.581 31.681 5.690 1.00 0.00 H new ATOM 0 HA GLN A 79 9.219 31.576 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.497 32.056 8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.569 33.503 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.999 34.075 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.663 34.458 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.541 31.147 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.080 30.874 10.407 1.00 0.00 H new ATOM 1253 N CYS A 80 7.732 33.169 6.243 1.00 0.00 N ATOM 1254 CA CYS A 80 6.773 34.110 5.700 1.00 0.00 C ATOM 1255 C CYS A 80 6.741 35.358 6.560 1.00 0.00 C ATOM 1256 O CYS A 80 6.666 36.480 6.055 1.00 0.00 O ATOM 1257 CB CYS A 80 5.384 33.478 5.665 1.00 0.00 C ATOM 1258 SG CYS A 80 4.396 33.897 4.196 1.00 0.00 S ATOM 0 H CYS A 80 7.306 32.388 6.743 1.00 0.00 H new ATOM 0 HA CYS A 80 7.070 34.375 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.491 32.395 5.717 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.836 33.787 6.555 1.00 0.00 H new ATOM 1263 N ALA A 81 6.809 35.148 7.871 1.00 0.00 N ATOM 1264 CA ALA A 81 6.830 36.256 8.821 1.00 0.00 C ATOM 1265 C ALA A 81 8.229 36.859 8.914 1.00 0.00 C ATOM 1266 O ALA A 81 8.789 37.018 10.000 1.00 0.00 O ATOM 1267 CB ALA A 81 6.352 35.794 10.188 1.00 0.00 C ATOM 0 H ALA A 81 6.850 34.223 8.299 1.00 0.00 H new ATOM 0 HA ALA A 81 6.150 37.029 8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.374 36.633 10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.333 35.415 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.006 35.002 10.554 1.00 0.00 H new