USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 262 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 Single : A 4 GLN : amide:sc= 0.608 K(o=0.61,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.974 K(o=0.97,f=-4.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= 0.973 (180deg=0.305) USER MOD Single : A 26 LYS NZ :NH3+ -106:sc= 0.954 (180deg=0.0114) USER MOD Single : A 31 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.68) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 19.812 20.089 34.723 1.00 0.00 N ATOM 50 CA GLN A 4 19.530 20.812 33.472 1.00 0.00 C ATOM 51 C GLN A 4 20.805 21.288 32.749 1.00 0.00 C ATOM 52 O GLN A 4 20.736 21.957 31.720 1.00 0.00 O ATOM 53 CB GLN A 4 18.547 21.948 33.766 1.00 0.00 C ATOM 54 CG GLN A 4 19.133 23.228 34.377 1.00 0.00 C ATOM 55 CD GLN A 4 17.986 24.119 34.779 1.00 0.00 C ATOM 56 OE1 GLN A 4 17.689 24.344 35.943 1.00 0.00 O ATOM 57 NE2 GLN A 4 17.261 24.592 33.798 1.00 0.00 N ATOM 0 HA GLN A 4 19.066 20.122 32.767 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.047 22.214 32.835 1.00 0.00 H new ATOM 0 HB3 GLN A 4 17.781 21.568 34.442 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.751 22.989 35.242 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.775 23.735 33.657 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.521 24.396 32.831 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.436 25.157 34.000 1.00 0.00 H new ATOM 66 N PHE A 5 21.988 21.025 33.319 1.00 0.00 N ATOM 67 CA PHE A 5 23.289 21.559 32.874 1.00 0.00 C ATOM 68 C PHE A 5 23.386 23.092 32.876 1.00 0.00 C ATOM 69 O PHE A 5 24.238 23.646 32.185 1.00 0.00 O ATOM 70 CB PHE A 5 23.706 20.938 31.531 1.00 0.00 C ATOM 71 CG PHE A 5 23.898 19.439 31.562 1.00 0.00 C ATOM 72 CD1 PHE A 5 22.864 18.573 31.159 1.00 0.00 C ATOM 73 CD2 PHE A 5 25.135 18.911 31.972 1.00 0.00 C ATOM 74 CE1 PHE A 5 23.078 17.182 31.148 1.00 0.00 C ATOM 75 CE2 PHE A 5 25.334 17.521 31.991 1.00 0.00 C ATOM 76 CZ PHE A 5 24.312 16.657 31.567 1.00 0.00 C ATOM 0 H PHE A 5 22.072 20.414 34.131 1.00 0.00 H new ATOM 0 HA PHE A 5 24.013 21.252 33.629 1.00 0.00 H new ATOM 0 HB2 PHE A 5 22.949 21.179 30.784 1.00 0.00 H new ATOM 0 HB3 PHE A 5 24.636 21.403 31.204 1.00 0.00 H new ATOM 0 HD1 PHE A 5 21.908 18.975 30.859 1.00 0.00 H new ATOM 0 HD2 PHE A 5 25.932 19.575 32.272 1.00 0.00 H new ATOM 0 HE1 PHE A 5 22.293 16.518 30.817 1.00 0.00 H new ATOM 0 HE2 PHE A 5 26.275 17.116 32.332 1.00 0.00 H new ATOM 0 HZ PHE A 5 24.474 15.589 31.563 1.00 0.00 H new ATOM 86 N GLY A 6 22.499 23.773 33.613 1.00 0.00 N ATOM 87 CA GLY A 6 22.312 25.231 33.537 1.00 0.00 C ATOM 88 C GLY A 6 21.578 25.753 32.273 1.00 0.00 C ATOM 89 O GLY A 6 21.330 26.957 32.151 1.00 0.00 O ATOM 0 H GLY A 6 21.882 23.322 34.289 1.00 0.00 H new ATOM 0 HA2 GLY A 6 21.755 25.553 34.417 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.291 25.707 33.588 1.00 0.00 H new ATOM 93 N CYS A 7 21.175 24.873 31.350 1.00 0.00 N ATOM 94 CA CYS A 7 20.447 25.224 30.138 1.00 0.00 C ATOM 95 C CYS A 7 18.935 25.404 30.372 1.00 0.00 C ATOM 96 O CYS A 7 18.273 24.588 31.022 1.00 0.00 O ATOM 97 CB CYS A 7 20.648 24.132 29.075 1.00 0.00 C ATOM 98 SG CYS A 7 22.322 23.929 28.430 1.00 0.00 S ATOM 0 H CYS A 7 21.354 23.872 31.433 1.00 0.00 H new ATOM 0 HA CYS A 7 20.849 26.180 29.803 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.329 23.180 29.500 1.00 0.00 H new ATOM 0 HB3 CYS A 7 19.984 24.346 28.237 1.00 0.00 H new ATOM 103 N PHE A 8 18.379 26.446 29.759 1.00 0.00 N ATOM 104 CA PHE A 8 16.935 26.645 29.618 1.00 0.00 C ATOM 105 C PHE A 8 16.601 27.449 28.345 1.00 0.00 C ATOM 106 O PHE A 8 17.230 28.472 28.064 1.00 0.00 O ATOM 107 CB PHE A 8 16.367 27.309 30.881 1.00 0.00 C ATOM 108 CG PHE A 8 14.863 27.430 30.839 1.00 0.00 C ATOM 109 CD1 PHE A 8 14.266 28.589 30.312 1.00 0.00 C ATOM 110 CD2 PHE A 8 14.064 26.350 31.254 1.00 0.00 C ATOM 111 CE1 PHE A 8 12.869 28.640 30.151 1.00 0.00 C ATOM 112 CE2 PHE A 8 12.670 26.408 31.097 1.00 0.00 C ATOM 113 CZ PHE A 8 12.073 27.546 30.532 1.00 0.00 C ATOM 0 H PHE A 8 18.930 27.193 29.336 1.00 0.00 H new ATOM 0 HA PHE A 8 16.459 25.671 29.507 1.00 0.00 H new ATOM 0 HB2 PHE A 8 16.658 26.728 31.756 1.00 0.00 H new ATOM 0 HB3 PHE A 8 16.806 28.300 30.996 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.876 29.435 30.032 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.522 25.476 31.693 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.407 29.522 29.733 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.057 25.577 31.411 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.003 27.581 30.390 1.00 0.00 H new ATOM 123 N ALA A 9 15.602 27.000 27.574 1.00 0.00 N ATOM 124 CA ALA A 9 15.158 27.598 26.307 1.00 0.00 C ATOM 125 C ALA A 9 16.313 27.896 25.320 1.00 0.00 C ATOM 126 O ALA A 9 16.454 29.018 24.824 1.00 0.00 O ATOM 127 CB ALA A 9 14.239 28.790 26.607 1.00 0.00 C ATOM 0 H ALA A 9 15.058 26.175 27.826 1.00 0.00 H new ATOM 0 HA ALA A 9 14.570 26.863 25.758 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.906 29.238 25.671 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.373 28.448 27.173 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.784 29.532 27.190 1.00 0.00 H new ATOM 133 N ASN A 10 17.151 26.882 25.060 1.00 0.00 N ATOM 134 CA ASN A 10 18.379 26.934 24.241 1.00 0.00 C ATOM 135 C ASN A 10 19.491 27.889 24.730 1.00 0.00 C ATOM 136 O ASN A 10 20.441 28.139 23.986 1.00 0.00 O ATOM 137 CB ASN A 10 18.033 27.132 22.749 1.00 0.00 C ATOM 138 CG ASN A 10 17.306 25.991 22.131 1.00 0.00 C ATOM 139 OD1 ASN A 10 17.484 24.822 22.430 1.00 0.00 O ATOM 140 ND2 ASN A 10 16.488 26.296 21.173 1.00 0.00 N ATOM 0 H ASN A 10 16.984 25.948 25.435 1.00 0.00 H new ATOM 0 HA ASN A 10 18.841 25.956 24.372 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.427 28.032 22.645 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.955 27.303 22.194 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.994 25.559 20.670 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.338 27.273 20.922 1.00 0.00 H new ATOM 147 N VAL A 11 19.433 28.395 25.967 1.00 0.00 N ATOM 148 CA VAL A 11 20.415 29.352 26.509 1.00 0.00 C ATOM 149 C VAL A 11 20.991 28.875 27.846 1.00 0.00 C ATOM 150 O VAL A 11 20.280 28.311 28.673 1.00 0.00 O ATOM 151 CB VAL A 11 19.788 30.758 26.628 1.00 0.00 C ATOM 152 CG1 VAL A 11 20.786 31.799 27.145 1.00 0.00 C ATOM 153 CG2 VAL A 11 19.297 31.280 25.269 1.00 0.00 C ATOM 0 H VAL A 11 18.697 28.152 26.630 1.00 0.00 H new ATOM 0 HA VAL A 11 21.250 29.412 25.811 1.00 0.00 H new ATOM 0 HB VAL A 11 18.961 30.636 27.328 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.297 32.771 27.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 21.141 31.504 28.132 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.631 31.864 26.460 1.00 0.00 H new ATOM 0 HG21 VAL A 11 18.863 32.272 25.396 1.00 0.00 H new ATOM 0 HG22 VAL A 11 20.137 31.337 24.576 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.543 30.602 24.870 1.00 0.00 H new ATOM 163 N ASP A 12 22.272 29.153 28.096 1.00 0.00 N ATOM 164 CA ASP A 12 22.984 28.863 29.356 1.00 0.00 C ATOM 165 C ASP A 12 22.590 29.779 30.542 1.00 0.00 C ATOM 166 O ASP A 12 23.416 30.079 31.402 1.00 0.00 O ATOM 167 CB ASP A 12 24.505 28.832 29.093 1.00 0.00 C ATOM 168 CG ASP A 12 25.097 30.150 28.592 1.00 0.00 C ATOM 169 OD1 ASP A 12 25.018 30.405 27.368 1.00 0.00 O ATOM 170 OD2 ASP A 12 25.686 30.923 29.387 1.00 0.00 O1- ATOM 0 H ASP A 12 22.871 29.604 27.404 1.00 0.00 H new ATOM 0 HA ASP A 12 22.664 27.875 29.689 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.013 28.549 30.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.717 28.053 28.360 1.00 0.00 H new ATOM 175 N VAL A 13 21.337 30.249 30.614 1.00 0.00 N ATOM 176 CA VAL A 13 20.857 31.264 31.584 1.00 0.00 C ATOM 177 C VAL A 13 21.141 30.929 33.049 1.00 0.00 C ATOM 178 O VAL A 13 21.378 31.838 33.844 1.00 0.00 O ATOM 179 CB VAL A 13 19.341 31.536 31.446 1.00 0.00 C ATOM 180 CG1 VAL A 13 19.083 32.595 30.384 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.510 30.299 31.105 1.00 0.00 C ATOM 0 H VAL A 13 20.602 29.929 29.984 1.00 0.00 H new ATOM 0 HA VAL A 13 21.432 32.152 31.322 1.00 0.00 H new ATOM 0 HB VAL A 13 19.024 31.879 32.431 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.011 32.773 30.301 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.584 33.521 30.665 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.469 32.250 29.425 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.459 30.577 31.026 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.848 29.884 30.155 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.630 29.552 31.890 1.00 0.00 H new ATOM 191 N LYS A 14 21.149 29.644 33.413 1.00 0.00 N ATOM 192 CA LYS A 14 21.456 29.160 34.772 1.00 0.00 C ATOM 193 C LYS A 14 22.834 28.504 34.925 1.00 0.00 C ATOM 194 O LYS A 14 23.233 28.219 36.053 1.00 0.00 O ATOM 195 CB LYS A 14 20.303 28.269 35.269 1.00 0.00 C ATOM 196 CG LYS A 14 18.977 29.034 35.443 1.00 0.00 C ATOM 197 CD LYS A 14 19.094 30.196 36.446 1.00 0.00 C ATOM 198 CE LYS A 14 17.715 30.700 36.877 1.00 0.00 C ATOM 199 NZ LYS A 14 17.829 31.734 37.934 1.00 0.00 N1+ ATOM 0 H LYS A 14 20.938 28.890 32.760 1.00 0.00 H new ATOM 0 HA LYS A 14 21.532 30.036 35.416 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.154 27.452 34.563 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.584 27.820 36.222 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.656 29.423 34.477 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.204 28.343 35.781 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.654 29.868 37.322 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.657 31.013 35.995 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.190 31.113 36.016 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.118 29.865 37.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.879 32.058 38.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.309 31.331 38.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.379 32.540 37.574 1.00 0.00 H new ATOM 213 N GLY A 15 23.584 28.286 33.843 1.00 0.00 N ATOM 214 CA GLY A 15 24.992 27.865 33.916 1.00 0.00 C ATOM 215 C GLY A 15 25.580 27.379 32.589 1.00 0.00 C ATOM 216 O GLY A 15 24.864 26.848 31.745 1.00 0.00 O ATOM 0 H GLY A 15 23.236 28.395 32.890 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.590 28.701 34.279 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.081 27.066 34.652 1.00 0.00 H new ATOM 220 N ASP A 16 26.893 27.554 32.413 1.00 0.00 N ATOM 221 CA ASP A 16 27.614 27.257 31.170 1.00 0.00 C ATOM 222 C ASP A 16 27.761 25.755 30.883 1.00 0.00 C ATOM 223 O ASP A 16 28.551 25.044 31.511 1.00 0.00 O ATOM 224 CB ASP A 16 28.956 28.010 31.109 1.00 0.00 C ATOM 225 CG ASP A 16 29.996 27.580 32.147 1.00 0.00 C ATOM 226 OD1 ASP A 16 31.176 27.359 31.779 1.00 0.00 O ATOM 227 OD2 ASP A 16 29.670 27.535 33.358 1.00 0.00 O1- ATOM 0 H ASP A 16 27.500 27.915 33.149 1.00 0.00 H new ATOM 0 HA ASP A 16 26.991 27.632 30.358 1.00 0.00 H new ATOM 0 HB2 ASP A 16 29.383 27.878 30.115 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.762 29.075 31.233 1.00 0.00 H new ATOM 232 N CYS A 17 27.023 25.296 29.872 1.00 0.00 N ATOM 233 CA CYS A 17 27.019 23.934 29.338 1.00 0.00 C ATOM 234 C CYS A 17 28.320 23.572 28.604 1.00 0.00 C ATOM 235 O CYS A 17 28.752 22.418 28.659 1.00 0.00 O ATOM 236 CB CYS A 17 25.759 23.807 28.460 1.00 0.00 C ATOM 237 SG CYS A 17 25.828 22.887 26.894 1.00 0.00 S ATOM 0 H CYS A 17 26.372 25.903 29.373 1.00 0.00 H new ATOM 0 HA CYS A 17 26.982 23.206 30.148 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.983 23.347 29.072 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.424 24.818 28.227 1.00 0.00 H new ATOM 242 N LYS A 18 29.018 24.537 27.986 1.00 0.00 N ATOM 243 CA LYS A 18 30.274 24.263 27.269 1.00 0.00 C ATOM 244 C LYS A 18 31.322 23.594 28.172 1.00 0.00 C ATOM 245 O LYS A 18 32.009 22.697 27.694 1.00 0.00 O ATOM 246 CB LYS A 18 30.777 25.542 26.575 1.00 0.00 C ATOM 247 CG LYS A 18 31.862 25.242 25.523 1.00 0.00 C ATOM 248 CD LYS A 18 33.304 25.327 26.042 1.00 0.00 C ATOM 249 CE LYS A 18 33.809 26.779 26.056 1.00 0.00 C ATOM 250 NZ LYS A 18 35.274 26.833 26.273 1.00 0.00 N1+ ATOM 0 H LYS A 18 28.733 25.516 27.968 1.00 0.00 H new ATOM 0 HA LYS A 18 30.079 23.532 26.484 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.939 26.048 26.096 1.00 0.00 H new ATOM 0 HB3 LYS A 18 31.177 26.226 27.323 1.00 0.00 H new ATOM 0 HG2 LYS A 18 31.693 24.242 25.123 1.00 0.00 H new ATOM 0 HG3 LYS A 18 31.747 25.941 24.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 33.355 24.912 27.049 1.00 0.00 H new ATOM 0 HD3 LYS A 18 33.955 24.719 25.414 1.00 0.00 H new ATOM 0 HE2 LYS A 18 33.560 27.263 25.111 1.00 0.00 H new ATOM 0 HE3 LYS A 18 33.301 27.336 26.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 35.588 27.824 26.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 35.506 26.392 27.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 35.757 26.321 25.508 1.00 0.00 H new ATOM 264 N ARG A 19 31.389 23.910 29.478 1.00 0.00 N ATOM 265 CA ARG A 19 32.304 23.255 30.436 1.00 0.00 C ATOM 266 C ARG A 19 32.089 21.742 30.596 1.00 0.00 C ATOM 267 O ARG A 19 33.073 21.012 30.720 1.00 0.00 O ATOM 268 CB ARG A 19 32.245 23.950 31.812 1.00 0.00 C ATOM 269 CG ARG A 19 33.563 24.675 32.117 1.00 0.00 C ATOM 270 CD ARG A 19 33.671 25.103 33.580 1.00 0.00 C ATOM 271 NE ARG A 19 32.663 26.105 33.962 1.00 0.00 N ATOM 272 CZ ARG A 19 32.509 26.622 35.167 1.00 0.00 C ATOM 273 NH1 ARG A 19 33.265 26.298 36.181 1.00 0.00 N1+ ATOM 274 NH2 ARG A 19 31.568 27.489 35.372 1.00 0.00 N ATOM 0 H ARG A 19 30.807 24.632 29.903 1.00 0.00 H new ATOM 0 HA ARG A 19 33.298 23.368 30.003 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.421 24.663 31.828 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.043 23.212 32.588 1.00 0.00 H new ATOM 0 HG2 ARG A 19 34.399 24.021 31.871 1.00 0.00 H new ATOM 0 HG3 ARG A 19 33.647 25.554 31.478 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.563 24.226 34.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.666 25.509 33.761 1.00 0.00 H new ATOM 0 HE ARG A 19 32.028 26.428 33.232 1.00 0.00 H new ATOM 0 HH11 ARG A 19 34.015 25.617 36.061 1.00 0.00 H new ATOM 0 HH12 ARG A 19 33.106 26.726 37.093 1.00 0.00 H new ATOM 0 HH21 ARG A 19 30.954 27.766 34.606 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.441 27.894 36.299 1.00 0.00 H new ATOM 288 N HIS A 20 30.844 21.262 30.547 1.00 0.00 N ATOM 289 CA HIS A 20 30.514 19.829 30.609 1.00 0.00 C ATOM 290 C HIS A 20 31.067 19.075 29.394 1.00 0.00 C ATOM 291 O HIS A 20 31.632 17.991 29.541 1.00 0.00 O ATOM 292 CB HIS A 20 28.989 19.660 30.742 1.00 0.00 C ATOM 293 CG HIS A 20 28.516 18.254 30.481 1.00 0.00 C ATOM 294 ND1 HIS A 20 28.789 17.141 31.278 1.00 0.00 N ATOM 295 CD2 HIS A 20 27.822 17.856 29.376 1.00 0.00 C ATOM 296 CE1 HIS A 20 28.241 16.095 30.631 1.00 0.00 C ATOM 297 NE2 HIS A 20 27.656 16.496 29.491 1.00 0.00 N ATOM 0 H HIS A 20 30.024 21.862 30.462 1.00 0.00 H new ATOM 0 HA HIS A 20 30.990 19.392 31.487 1.00 0.00 H new ATOM 0 HB2 HIS A 20 28.685 19.957 31.746 1.00 0.00 H new ATOM 0 HB3 HIS A 20 28.494 20.337 30.045 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.472 18.485 28.570 1.00 0.00 H new ATOM 0 HE1 HIS A 20 28.268 15.074 30.981 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.171 15.895 28.825 1.00 0.00 H new ATOM 305 N CYS A 21 30.993 19.682 28.208 1.00 0.00 N ATOM 306 CA CYS A 21 31.561 19.119 26.981 1.00 0.00 C ATOM 307 C CYS A 21 33.085 19.338 26.882 1.00 0.00 C ATOM 308 O CYS A 21 33.807 18.452 26.424 1.00 0.00 O ATOM 309 CB CYS A 21 30.786 19.697 25.793 1.00 0.00 C ATOM 310 SG CYS A 21 29.013 19.296 25.831 1.00 0.00 S ATOM 0 H CYS A 21 30.535 20.583 28.071 1.00 0.00 H new ATOM 0 HA CYS A 21 31.448 18.035 26.983 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.907 20.780 25.781 1.00 0.00 H new ATOM 0 HB3 CYS A 21 31.218 19.318 24.867 1.00 0.00 H new ATOM 315 N LYS A 22 33.621 20.448 27.409 1.00 0.00 N ATOM 316 CA LYS A 22 35.067 20.714 27.516 1.00 0.00 C ATOM 317 C LYS A 22 35.771 19.677 28.404 1.00 0.00 C ATOM 318 O LYS A 22 36.908 19.307 28.111 1.00 0.00 O ATOM 319 CB LYS A 22 35.278 22.140 28.058 1.00 0.00 C ATOM 320 CG LYS A 22 36.729 22.662 28.056 1.00 0.00 C ATOM 321 CD LYS A 22 37.278 23.014 26.661 1.00 0.00 C ATOM 322 CE LYS A 22 37.935 21.836 25.936 1.00 0.00 C ATOM 323 NZ LYS A 22 39.365 21.664 26.302 1.00 0.00 N1+ ATOM 0 H LYS A 22 33.049 21.206 27.782 1.00 0.00 H new ATOM 0 HA LYS A 22 35.513 20.633 26.525 1.00 0.00 H new ATOM 0 HB2 LYS A 22 34.667 22.824 27.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 34.902 22.177 29.080 1.00 0.00 H new ATOM 0 HG2 LYS A 22 36.784 23.548 28.689 1.00 0.00 H new ATOM 0 HG3 LYS A 22 37.374 21.908 28.507 1.00 0.00 H new ATOM 0 HD2 LYS A 22 36.463 23.397 26.047 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.007 23.818 26.761 1.00 0.00 H new ATOM 0 HE2 LYS A 22 37.391 20.921 26.171 1.00 0.00 H new ATOM 0 HE3 LYS A 22 37.855 21.987 24.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 39.605 20.652 26.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 39.962 22.165 25.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 39.530 22.054 27.252 1.00 0.00 H new ATOM 337 N ALA A 23 35.081 19.136 29.411 1.00 0.00 N ATOM 338 CA ALA A 23 35.552 18.016 30.234 1.00 0.00 C ATOM 339 C ALA A 23 35.659 16.676 29.465 1.00 0.00 C ATOM 340 O ALA A 23 36.226 15.719 29.985 1.00 0.00 O ATOM 341 CB ALA A 23 34.633 17.898 31.456 1.00 0.00 C ATOM 0 H ALA A 23 34.157 19.471 29.684 1.00 0.00 H new ATOM 0 HA ALA A 23 36.574 18.231 30.547 1.00 0.00 H new ATOM 0 HB1 ALA A 23 34.965 17.070 32.083 1.00 0.00 H new ATOM 0 HB2 ALA A 23 34.669 18.824 32.029 1.00 0.00 H new ATOM 0 HB3 ALA A 23 33.610 17.715 31.126 1.00 0.00 H new ATOM 347 N GLU A 24 35.155 16.603 28.228 1.00 0.00 N ATOM 348 CA GLU A 24 35.351 15.501 27.270 1.00 0.00 C ATOM 349 C GLU A 24 36.101 15.961 26.001 1.00 0.00 C ATOM 350 O GLU A 24 36.136 15.237 25.003 1.00 0.00 O ATOM 351 CB GLU A 24 34.003 14.850 26.910 1.00 0.00 C ATOM 352 CG GLU A 24 33.278 14.292 28.137 1.00 0.00 C ATOM 353 CD GLU A 24 32.005 13.520 27.761 1.00 0.00 C ATOM 354 OE1 GLU A 24 32.084 12.586 26.921 1.00 0.00 O ATOM 355 OE2 GLU A 24 30.913 13.824 28.300 1.00 0.00 O1- ATOM 0 H GLU A 24 34.570 17.346 27.846 1.00 0.00 H new ATOM 0 HA GLU A 24 35.978 14.754 27.756 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.367 15.586 26.419 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.171 14.046 26.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.951 13.633 28.685 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.019 15.112 28.807 1.00 0.00 H new ATOM 362 N ASP A 25 36.691 17.166 26.026 1.00 0.00 N ATOM 363 CA ASP A 25 37.302 17.867 24.886 1.00 0.00 C ATOM 364 C ASP A 25 36.391 17.936 23.644 1.00 0.00 C ATOM 365 O ASP A 25 36.814 17.673 22.516 1.00 0.00 O ATOM 366 CB ASP A 25 38.719 17.340 24.620 1.00 0.00 C ATOM 367 CG ASP A 25 39.669 17.632 25.777 1.00 0.00 C ATOM 368 OD1 ASP A 25 39.750 18.802 26.226 1.00 0.00 O ATOM 369 OD2 ASP A 25 40.340 16.690 26.262 1.00 0.00 O1- ATOM 0 H ASP A 25 36.758 17.707 26.888 1.00 0.00 H new ATOM 0 HA ASP A 25 37.414 18.916 25.162 1.00 0.00 H new ATOM 0 HB2 ASP A 25 38.678 16.264 24.448 1.00 0.00 H new ATOM 0 HB3 ASP A 25 39.109 17.794 23.709 1.00 0.00 H new ATOM 374 N LYS A 26 35.125 18.300 23.868 1.00 0.00 N ATOM 375 CA LYS A 26 34.051 18.443 22.877 1.00 0.00 C ATOM 376 C LYS A 26 33.449 19.855 22.873 1.00 0.00 C ATOM 377 O LYS A 26 33.599 20.622 23.826 1.00 0.00 O ATOM 378 CB LYS A 26 32.965 17.397 23.197 1.00 0.00 C ATOM 379 CG LYS A 26 33.346 15.952 22.818 1.00 0.00 C ATOM 380 CD LYS A 26 32.590 15.537 21.553 1.00 0.00 C ATOM 381 CE LYS A 26 32.844 14.104 21.077 1.00 0.00 C ATOM 382 NZ LYS A 26 31.873 13.737 20.017 1.00 0.00 N1+ ATOM 0 H LYS A 26 34.800 18.518 24.810 1.00 0.00 H new ATOM 0 HA LYS A 26 34.464 18.280 21.882 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.744 17.434 24.264 1.00 0.00 H new ATOM 0 HB3 LYS A 26 32.049 17.669 22.672 1.00 0.00 H new ATOM 0 HG2 LYS A 26 34.421 15.880 22.652 1.00 0.00 H new ATOM 0 HG3 LYS A 26 33.104 15.275 23.637 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.522 15.658 21.732 1.00 0.00 H new ATOM 0 HD3 LYS A 26 32.858 16.222 20.749 1.00 0.00 H new ATOM 0 HE2 LYS A 26 33.861 14.015 20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 26 32.756 13.413 21.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 31.164 13.083 20.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 31.398 14.594 19.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 32.375 13.276 19.231 1.00 0.00 H new ATOM 396 N GLU A 27 32.743 20.201 21.803 1.00 0.00 N ATOM 397 CA GLU A 27 31.892 21.390 21.731 1.00 0.00 C ATOM 398 C GLU A 27 30.587 21.128 22.499 1.00 0.00 C ATOM 399 O GLU A 27 30.111 19.996 22.524 1.00 0.00 O ATOM 400 CB GLU A 27 31.635 21.763 20.263 1.00 0.00 C ATOM 401 CG GLU A 27 32.904 22.208 19.517 1.00 0.00 C ATOM 402 CD GLU A 27 33.352 23.643 19.819 1.00 0.00 C ATOM 403 OE1 GLU A 27 33.473 24.030 21.007 1.00 0.00 O ATOM 404 OE2 GLU A 27 33.646 24.400 18.860 1.00 0.00 O1- ATOM 0 H GLU A 27 32.744 19.654 20.942 1.00 0.00 H new ATOM 0 HA GLU A 27 32.391 22.239 22.198 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.201 20.906 19.748 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.898 22.565 20.223 1.00 0.00 H new ATOM 0 HG2 GLU A 27 33.716 21.527 19.771 1.00 0.00 H new ATOM 0 HG3 GLU A 27 32.731 22.113 18.445 1.00 0.00 H new ATOM 411 N GLY A 28 30.022 22.145 23.150 1.00 0.00 N ATOM 412 CA GLY A 28 28.785 22.044 23.942 1.00 0.00 C ATOM 413 C GLY A 28 27.763 23.149 23.672 1.00 0.00 C ATOM 414 O GLY A 28 28.126 24.321 23.549 1.00 0.00 O ATOM 0 H GLY A 28 30.417 23.086 23.144 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.319 21.079 23.741 1.00 0.00 H new ATOM 0 HA3 GLY A 28 29.045 22.059 25.000 1.00 0.00 H new ATOM 418 N ILE A 29 26.483 22.769 23.591 1.00 0.00 N ATOM 419 CA ILE A 29 25.366 23.628 23.179 1.00 0.00 C ATOM 420 C ILE A 29 24.069 23.192 23.870 1.00 0.00 C ATOM 421 O ILE A 29 23.828 21.997 24.056 1.00 0.00 O ATOM 422 CB ILE A 29 25.269 23.636 21.634 1.00 0.00 C ATOM 423 CG1 ILE A 29 24.203 24.597 21.075 1.00 0.00 C ATOM 424 CG2 ILE A 29 25.177 22.239 21.012 1.00 0.00 C ATOM 425 CD1 ILE A 29 22.820 23.999 20.795 1.00 0.00 C ATOM 0 H ILE A 29 26.185 21.820 23.819 1.00 0.00 H new ATOM 0 HA ILE A 29 25.542 24.656 23.496 1.00 0.00 H new ATOM 0 HB ILE A 29 26.228 24.044 21.315 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.082 25.419 21.780 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.583 25.025 20.148 1.00 0.00 H new ATOM 0 HG21 ILE A 29 25.112 22.327 19.928 1.00 0.00 H new ATOM 0 HG22 ILE A 29 26.064 21.664 21.277 1.00 0.00 H new ATOM 0 HG23 ILE A 29 24.289 21.731 21.389 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.160 24.774 20.405 1.00 0.00 H new ATOM 0 HD12 ILE A 29 22.912 23.198 20.061 1.00 0.00 H new ATOM 0 HD13 ILE A 29 22.403 23.598 21.719 1.00 0.00 H new ATOM 437 N CYS A 30 23.233 24.154 24.268 1.00 0.00 N ATOM 438 CA CYS A 30 21.970 23.874 24.947 1.00 0.00 C ATOM 439 C CYS A 30 20.865 23.429 23.970 1.00 0.00 C ATOM 440 O CYS A 30 20.418 24.205 23.125 1.00 0.00 O ATOM 441 CB CYS A 30 21.528 25.097 25.761 1.00 0.00 C ATOM 442 SG CYS A 30 22.557 25.525 27.188 1.00 0.00 S ATOM 0 H CYS A 30 23.414 25.148 24.128 1.00 0.00 H new ATOM 0 HA CYS A 30 22.138 23.038 25.626 1.00 0.00 H new ATOM 0 HB2 CYS A 30 21.493 25.958 25.094 1.00 0.00 H new ATOM 0 HB3 CYS A 30 20.511 24.925 26.112 1.00 0.00 H new ATOM 447 N HIS A 31 20.382 22.193 24.127 1.00 0.00 N ATOM 448 CA HIS A 31 19.183 21.650 23.473 1.00 0.00 C ATOM 449 C HIS A 31 17.997 21.724 24.439 1.00 0.00 C ATOM 450 O HIS A 31 17.790 20.838 25.272 1.00 0.00 O ATOM 451 CB HIS A 31 19.436 20.218 22.979 1.00 0.00 C ATOM 452 CG HIS A 31 19.958 20.172 21.568 1.00 0.00 C ATOM 453 ND1 HIS A 31 19.213 19.785 20.448 1.00 0.00 N ATOM 454 CD2 HIS A 31 21.204 20.551 21.166 1.00 0.00 C ATOM 455 CE1 HIS A 31 20.038 19.937 19.396 1.00 0.00 C ATOM 456 NE2 HIS A 31 21.232 20.400 19.800 1.00 0.00 N ATOM 0 H HIS A 31 20.833 21.513 24.739 1.00 0.00 H new ATOM 0 HA HIS A 31 18.943 22.249 22.595 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.151 19.731 23.642 1.00 0.00 H new ATOM 0 HB3 HIS A 31 18.508 19.649 23.037 1.00 0.00 H new ATOM 0 HD2 HIS A 31 22.009 20.900 21.795 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.777 19.718 18.371 1.00 0.00 H new ATOM 0 HE2 HIS A 31 22.027 20.605 19.195 1.00 0.00 H new ATOM 464 N GLY A 32 17.221 22.803 24.343 1.00 0.00 N ATOM 465 CA GLY A 32 16.084 23.102 25.210 1.00 0.00 C ATOM 466 C GLY A 32 16.527 23.298 26.660 1.00 0.00 C ATOM 467 O GLY A 32 16.950 24.387 27.045 1.00 0.00 O ATOM 0 H GLY A 32 17.373 23.519 23.633 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.581 24.002 24.856 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.359 22.290 25.156 1.00 0.00 H new ATOM 471 N THR A 33 16.420 22.226 27.443 1.00 0.00 N ATOM 472 CA THR A 33 16.635 22.153 28.901 1.00 0.00 C ATOM 473 C THR A 33 17.774 21.209 29.315 1.00 0.00 C ATOM 474 O THR A 33 17.881 20.835 30.481 1.00 0.00 O ATOM 475 CB THR A 33 15.305 21.802 29.598 1.00 0.00 C ATOM 476 OG1 THR A 33 14.632 20.776 28.889 1.00 0.00 O ATOM 477 CG2 THR A 33 14.370 23.009 29.577 1.00 0.00 C ATOM 0 H THR A 33 16.163 21.318 27.056 1.00 0.00 H new ATOM 0 HA THR A 33 16.966 23.137 29.232 1.00 0.00 H new ATOM 0 HB THR A 33 15.542 21.492 30.616 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.790 20.562 29.343 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.433 22.752 30.071 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.840 23.842 30.100 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.169 23.296 28.545 1.00 0.00 H new ATOM 485 N LYS A 34 18.626 20.812 28.358 1.00 0.00 N ATOM 486 CA LYS A 34 19.854 20.011 28.531 1.00 0.00 C ATOM 487 C LYS A 34 21.018 20.519 27.670 1.00 0.00 C ATOM 488 O LYS A 34 20.820 21.323 26.763 1.00 0.00 O ATOM 489 CB LYS A 34 19.554 18.546 28.168 1.00 0.00 C ATOM 490 CG LYS A 34 18.547 17.874 29.104 1.00 0.00 C ATOM 491 CD LYS A 34 19.090 17.725 30.531 1.00 0.00 C ATOM 492 CE LYS A 34 18.151 16.864 31.363 1.00 0.00 C ATOM 493 NZ LYS A 34 16.885 17.542 31.724 1.00 0.00 N1+ ATOM 0 H LYS A 34 18.469 21.055 27.380 1.00 0.00 H new ATOM 0 HA LYS A 34 20.160 20.100 29.573 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.172 18.505 27.148 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.485 17.979 28.183 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.628 18.460 29.126 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.289 16.891 28.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 20.082 17.274 30.505 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.198 18.707 30.991 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.920 15.954 30.809 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.664 16.561 32.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.295 16.898 32.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.095 18.396 32.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.375 17.808 30.858 1.00 0.00 H new ATOM 507 N CYS A 35 22.224 20.011 27.931 1.00 0.00 N ATOM 508 CA CYS A 35 23.428 20.219 27.119 1.00 0.00 C ATOM 509 C CYS A 35 23.662 19.024 26.174 1.00 0.00 C ATOM 510 O CYS A 35 23.459 17.880 26.592 1.00 0.00 O ATOM 511 CB CYS A 35 24.605 20.397 28.085 1.00 0.00 C ATOM 512 SG CYS A 35 26.174 20.947 27.383 1.00 0.00 S ATOM 0 H CYS A 35 22.397 19.421 28.745 1.00 0.00 H new ATOM 0 HA CYS A 35 23.319 21.102 26.490 1.00 0.00 H new ATOM 0 HB2 CYS A 35 24.308 21.114 28.851 1.00 0.00 H new ATOM 0 HB3 CYS A 35 24.775 19.445 28.588 1.00 0.00 H new ATOM 517 N LYS A 36 24.117 19.266 24.935 1.00 0.00 N ATOM 518 CA LYS A 36 24.409 18.238 23.927 1.00 0.00 C ATOM 519 C LYS A 36 25.810 18.462 23.373 1.00 0.00 C ATOM 520 O LYS A 36 26.104 19.529 22.827 1.00 0.00 O ATOM 521 CB LYS A 36 23.319 18.268 22.835 1.00 0.00 C ATOM 522 CG LYS A 36 23.258 17.001 21.959 1.00 0.00 C ATOM 523 CD LYS A 36 24.182 16.987 20.727 1.00 0.00 C ATOM 524 CE LYS A 36 23.588 17.826 19.588 1.00 0.00 C ATOM 525 NZ LYS A 36 24.546 18.030 18.478 1.00 0.00 N1+ ATOM 0 H LYS A 36 24.297 20.212 24.598 1.00 0.00 H new ATOM 0 HA LYS A 36 24.392 17.242 24.370 1.00 0.00 H new ATOM 0 HB2 LYS A 36 22.349 18.412 23.311 1.00 0.00 H new ATOM 0 HB3 LYS A 36 23.490 19.131 22.192 1.00 0.00 H new ATOM 0 HG2 LYS A 36 23.503 16.141 22.582 1.00 0.00 H new ATOM 0 HG3 LYS A 36 22.231 16.867 21.620 1.00 0.00 H new ATOM 0 HD2 LYS A 36 25.163 17.378 20.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 24.330 15.961 20.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 22.693 17.334 19.206 1.00 0.00 H new ATOM 0 HE3 LYS A 36 23.277 18.795 19.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 24.098 18.602 17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 25.390 18.524 18.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 24.824 17.108 18.086 1.00 0.00 H new ATOM 539 N CYS A 37 26.674 17.463 23.525 1.00 0.00 N ATOM 540 CA CYS A 37 28.072 17.559 23.100 1.00 0.00 C ATOM 541 C CYS A 37 28.286 17.161 21.628 1.00 0.00 C ATOM 542 O CYS A 37 27.867 16.087 21.188 1.00 0.00 O ATOM 543 CB CYS A 37 28.984 16.787 24.050 1.00 0.00 C ATOM 544 SG CYS A 37 28.889 17.257 25.803 1.00 0.00 S ATOM 0 H CYS A 37 26.429 16.566 23.944 1.00 0.00 H new ATOM 0 HA CYS A 37 28.349 18.612 23.155 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.749 15.726 23.966 1.00 0.00 H new ATOM 0 HB3 CYS A 37 30.014 16.913 23.716 1.00 0.00 H new ATOM 549 N GLY A 38 28.963 18.042 20.892 1.00 0.00 N ATOM 550 CA GLY A 38 29.122 18.022 19.439 1.00 0.00 C ATOM 551 C GLY A 38 30.445 17.438 18.963 1.00 0.00 C ATOM 552 O GLY A 38 30.814 16.332 19.349 1.00 0.00 O ATOM 0 H GLY A 38 29.443 18.834 21.319 1.00 0.00 H new ATOM 0 HA2 GLY A 38 28.306 17.446 19.004 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.030 19.040 19.061 1.00 0.00 H new ATOM 556 N VAL A 39 31.170 18.186 18.128 1.00 0.00 N ATOM 557 CA VAL A 39 32.491 17.791 17.610 1.00 0.00 C ATOM 558 C VAL A 39 33.623 17.940 18.632 1.00 0.00 C ATOM 559 O VAL A 39 33.531 18.767 19.540 1.00 0.00 O ATOM 560 CB VAL A 39 32.851 18.511 16.293 1.00 0.00 C ATOM 561 CG1 VAL A 39 31.950 18.008 15.167 1.00 0.00 C ATOM 562 CG2 VAL A 39 32.796 20.037 16.399 1.00 0.00 C ATOM 0 H VAL A 39 30.857 19.094 17.786 1.00 0.00 H new ATOM 0 HA VAL A 39 32.395 16.726 17.398 1.00 0.00 H new ATOM 0 HB VAL A 39 33.890 18.268 16.069 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.208 18.519 14.239 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.090 16.934 15.041 1.00 0.00 H new ATOM 0 HG13 VAL A 39 30.908 18.211 15.416 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.060 20.478 15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.788 20.346 16.676 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.501 20.375 17.159 1.00 0.00 H new ATOM 572 N PRO A 40 34.701 17.144 18.520 1.00 0.00 N ATOM 573 CA PRO A 40 35.898 17.264 19.347 1.00 0.00 C ATOM 574 C PRO A 40 36.673 18.546 19.010 1.00 0.00 C ATOM 575 O PRO A 40 36.680 18.999 17.866 1.00 0.00 O ATOM 576 CB PRO A 40 36.708 15.994 19.077 1.00 0.00 C ATOM 577 CG PRO A 40 36.292 15.589 17.666 1.00 0.00 C ATOM 578 CD PRO A 40 34.833 16.035 17.594 1.00 0.00 C ATOM 0 HA PRO A 40 35.662 17.349 20.408 1.00 0.00 H new ATOM 0 HB2 PRO A 40 37.780 16.182 19.139 1.00 0.00 H new ATOM 0 HB3 PRO A 40 36.479 15.212 19.801 1.00 0.00 H new ATOM 0 HG2 PRO A 40 36.902 16.082 16.909 1.00 0.00 H new ATOM 0 HG3 PRO A 40 36.394 14.515 17.508 1.00 0.00 H new ATOM 0 HD2 PRO A 40 34.569 16.340 16.581 1.00 0.00 H new ATOM 0 HD3 PRO A 40 34.163 15.219 17.866 1.00 0.00 H new