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= 0.779 K(o=0.78,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.314 K(o=0.31,f=-3.4!) 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+ 170:sc= 1.22 (180deg=1.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.904 X(o=-0.9,f=-0.51) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0068) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 20.369 19.936 34.482 1.00 0.00 N ATOM 50 CA GLN A 4 20.066 20.772 33.307 1.00 0.00 C ATOM 51 C GLN A 4 21.296 21.377 32.610 1.00 0.00 C ATOM 52 O GLN A 4 21.145 22.075 31.611 1.00 0.00 O ATOM 53 CB GLN A 4 19.032 21.847 33.677 1.00 0.00 C ATOM 54 CG GLN A 4 19.543 22.922 34.645 1.00 0.00 C ATOM 55 CD GLN A 4 18.444 23.925 34.963 1.00 0.00 C ATOM 56 OE1 GLN A 4 17.873 23.934 36.046 1.00 0.00 O ATOM 57 NE2 GLN A 4 18.070 24.763 34.025 1.00 0.00 N ATOM 0 HA GLN A 4 19.641 20.101 32.560 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.691 22.333 32.763 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.165 21.359 34.122 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.892 22.454 35.565 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.397 23.438 34.206 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.542 24.760 33.121 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.307 25.417 34.200 1.00 0.00 H new ATOM 66 N PHE A 5 22.513 21.128 33.111 1.00 0.00 N ATOM 67 CA PHE A 5 23.771 21.669 32.566 1.00 0.00 C ATOM 68 C PHE A 5 23.816 23.213 32.499 1.00 0.00 C ATOM 69 O PHE A 5 24.526 23.778 31.674 1.00 0.00 O ATOM 70 CB PHE A 5 24.091 21.007 31.215 1.00 0.00 C ATOM 71 CG PHE A 5 24.084 19.490 31.227 1.00 0.00 C ATOM 72 CD1 PHE A 5 25.220 18.782 31.659 1.00 0.00 C ATOM 73 CD2 PHE A 5 22.938 18.785 30.809 1.00 0.00 C ATOM 74 CE1 PHE A 5 25.210 17.377 31.672 1.00 0.00 C ATOM 75 CE2 PHE A 5 22.931 17.379 30.816 1.00 0.00 C ATOM 76 CZ PHE A 5 24.069 16.675 31.249 1.00 0.00 C ATOM 0 H PHE A 5 22.657 20.531 33.926 1.00 0.00 H new ATOM 0 HA PHE A 5 24.560 21.411 33.273 1.00 0.00 H new ATOM 0 HB2 PHE A 5 23.367 21.353 30.477 1.00 0.00 H new ATOM 0 HB3 PHE A 5 25.072 21.348 30.883 1.00 0.00 H new ATOM 0 HD1 PHE A 5 26.100 19.319 31.981 1.00 0.00 H new ATOM 0 HD2 PHE A 5 22.062 19.326 30.482 1.00 0.00 H new ATOM 0 HE1 PHE A 5 26.082 16.835 32.008 1.00 0.00 H new ATOM 0 HE2 PHE A 5 22.053 16.841 30.490 1.00 0.00 H new ATOM 0 HZ PHE A 5 24.066 15.595 31.256 1.00 0.00 H new ATOM 86 N GLY A 6 23.019 23.902 33.327 1.00 0.00 N ATOM 87 CA GLY A 6 22.857 25.367 33.284 1.00 0.00 C ATOM 88 C GLY A 6 21.985 25.888 32.129 1.00 0.00 C ATOM 89 O GLY A 6 21.648 27.075 32.098 1.00 0.00 O ATOM 0 H GLY A 6 22.461 23.455 34.055 1.00 0.00 H new ATOM 0 HA2 GLY A 6 22.421 25.698 34.227 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.843 25.825 33.211 1.00 0.00 H new ATOM 93 N CYS A 7 21.569 25.007 31.217 1.00 0.00 N ATOM 94 CA CYS A 7 20.756 25.328 30.054 1.00 0.00 C ATOM 95 C CYS A 7 19.267 25.442 30.407 1.00 0.00 C ATOM 96 O CYS A 7 18.739 24.674 31.217 1.00 0.00 O ATOM 97 CB CYS A 7 20.947 24.234 28.996 1.00 0.00 C ATOM 98 SG CYS A 7 22.635 23.990 28.387 1.00 0.00 S ATOM 0 H CYS A 7 21.800 24.015 31.275 1.00 0.00 H new ATOM 0 HA CYS A 7 21.079 26.296 29.671 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.594 23.290 29.412 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.307 24.466 28.145 1.00 0.00 H new ATOM 103 N PHE A 8 18.574 26.372 29.754 1.00 0.00 N ATOM 104 CA PHE A 8 17.110 26.463 29.768 1.00 0.00 C ATOM 105 C PHE A 8 16.614 27.098 28.463 1.00 0.00 C ATOM 106 O PHE A 8 17.265 27.993 27.928 1.00 0.00 O ATOM 107 CB PHE A 8 16.633 27.237 31.007 1.00 0.00 C ATOM 108 CG PHE A 8 15.127 27.288 31.167 1.00 0.00 C ATOM 109 CD1 PHE A 8 14.392 28.357 30.620 1.00 0.00 C ATOM 110 CD2 PHE A 8 14.459 26.267 31.868 1.00 0.00 C ATOM 111 CE1 PHE A 8 12.994 28.395 30.763 1.00 0.00 C ATOM 112 CE2 PHE A 8 13.061 26.311 32.018 1.00 0.00 C ATOM 113 CZ PHE A 8 12.329 27.372 31.460 1.00 0.00 C ATOM 0 H PHE A 8 19.018 27.097 29.190 1.00 0.00 H new ATOM 0 HA PHE A 8 16.684 25.462 29.831 1.00 0.00 H new ATOM 0 HB2 PHE A 8 17.066 26.779 31.896 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.016 28.256 30.954 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.902 29.148 30.090 1.00 0.00 H new ATOM 0 HD2 PHE A 8 15.021 25.448 32.292 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.430 29.212 30.337 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.551 25.530 32.562 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.255 27.402 31.567 1.00 0.00 H new ATOM 123 N ALA A 9 15.479 26.630 27.930 1.00 0.00 N ATOM 124 CA ALA A 9 14.854 27.148 26.708 1.00 0.00 C ATOM 125 C ALA A 9 15.813 27.297 25.500 1.00 0.00 C ATOM 126 O ALA A 9 15.685 28.232 24.713 1.00 0.00 O ATOM 127 CB ALA A 9 14.080 28.428 27.051 1.00 0.00 C ATOM 0 H ALA A 9 14.956 25.860 28.348 1.00 0.00 H new ATOM 0 HA ALA A 9 14.151 26.397 26.348 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.611 28.822 26.149 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.312 28.202 27.790 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.767 29.171 27.457 1.00 0.00 H new ATOM 133 N ASN A 10 16.756 26.361 25.331 1.00 0.00 N ATOM 134 CA ASN A 10 17.814 26.368 24.297 1.00 0.00 C ATOM 135 C ASN A 10 18.931 27.423 24.492 1.00 0.00 C ATOM 136 O ASN A 10 19.689 27.679 23.554 1.00 0.00 O ATOM 137 CB ASN A 10 17.212 26.368 22.864 1.00 0.00 C ATOM 138 CG ASN A 10 16.252 25.233 22.594 1.00 0.00 C ATOM 139 OD1 ASN A 10 16.653 24.130 22.255 1.00 0.00 O ATOM 140 ND2 ASN A 10 14.975 25.442 22.798 1.00 0.00 N ATOM 0 H ASN A 10 16.810 25.540 25.934 1.00 0.00 H new ATOM 0 HA ASN A 10 18.345 25.426 24.432 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.695 27.313 22.700 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.026 26.320 22.140 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.307 24.681 22.674 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.648 26.366 23.081 1.00 0.00 H new ATOM 147 N VAL A 11 19.073 28.020 25.686 1.00 0.00 N ATOM 148 CA VAL A 11 20.005 29.130 25.974 1.00 0.00 C ATOM 149 C VAL A 11 20.825 28.890 27.254 1.00 0.00 C ATOM 150 O VAL A 11 20.344 28.305 28.225 1.00 0.00 O ATOM 151 CB VAL A 11 19.232 30.471 26.063 1.00 0.00 C ATOM 152 CG1 VAL A 11 20.166 31.679 26.220 1.00 0.00 C ATOM 153 CG2 VAL A 11 18.398 30.741 24.801 1.00 0.00 C ATOM 0 H VAL A 11 18.530 27.739 26.502 1.00 0.00 H new ATOM 0 HA VAL A 11 20.715 29.180 25.148 1.00 0.00 H new ATOM 0 HB VAL A 11 18.594 30.361 26.940 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.573 32.592 26.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.753 31.569 27.132 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.836 31.735 25.362 1.00 0.00 H new ATOM 0 HG21 VAL A 11 17.874 31.691 24.908 1.00 0.00 H new ATOM 0 HG22 VAL A 11 19.056 30.785 23.933 1.00 0.00 H new ATOM 0 HG23 VAL A 11 17.672 29.939 24.666 1.00 0.00 H new ATOM 163 N ASP A 12 22.059 29.402 27.277 1.00 0.00 N ATOM 164 CA ASP A 12 23.001 29.423 28.413 1.00 0.00 C ATOM 165 C ASP A 12 22.622 30.465 29.499 1.00 0.00 C ATOM 166 O ASP A 12 23.463 31.232 29.987 1.00 0.00 O ATOM 167 CB ASP A 12 24.429 29.700 27.891 1.00 0.00 C ATOM 168 CG ASP A 12 24.972 28.707 26.863 1.00 0.00 C ATOM 169 OD1 ASP A 12 26.081 28.165 27.089 1.00 0.00 O ATOM 170 OD2 ASP A 12 24.370 28.545 25.776 1.00 0.00 O1- ATOM 0 H ASP A 12 22.459 29.844 26.449 1.00 0.00 H new ATOM 0 HA ASP A 12 22.952 28.444 28.890 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.446 30.696 27.448 1.00 0.00 H new ATOM 0 HB3 ASP A 12 25.109 29.718 28.743 1.00 0.00 H new ATOM 175 N VAL A 13 21.334 30.572 29.849 1.00 0.00 N ATOM 176 CA VAL A 13 20.815 31.612 30.762 1.00 0.00 C ATOM 177 C VAL A 13 21.320 31.440 32.196 1.00 0.00 C ATOM 178 O VAL A 13 21.855 32.390 32.777 1.00 0.00 O ATOM 179 CB VAL A 13 19.272 31.703 30.756 1.00 0.00 C ATOM 180 CG1 VAL A 13 18.790 32.682 29.685 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.568 30.360 30.533 1.00 0.00 C ATOM 0 H VAL A 13 20.613 29.937 29.507 1.00 0.00 H new ATOM 0 HA VAL A 13 21.208 32.550 30.371 1.00 0.00 H new ATOM 0 HB VAL A 13 19.007 32.052 31.754 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.701 32.730 29.699 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.199 33.672 29.886 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.125 32.343 28.705 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.488 30.509 30.542 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.869 29.947 29.570 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.845 29.667 31.328 1.00 0.00 H new ATOM 191 N LYS A 14 21.182 30.238 32.771 1.00 0.00 N ATOM 192 CA LYS A 14 21.527 29.963 34.177 1.00 0.00 C ATOM 193 C LYS A 14 22.979 29.513 34.365 1.00 0.00 C ATOM 194 O LYS A 14 23.528 29.661 35.456 1.00 0.00 O ATOM 195 CB LYS A 14 20.525 28.970 34.781 1.00 0.00 C ATOM 196 CG LYS A 14 19.074 29.403 34.503 1.00 0.00 C ATOM 197 CD LYS A 14 18.066 28.806 35.481 1.00 0.00 C ATOM 198 CE LYS A 14 18.203 29.471 36.856 1.00 0.00 C ATOM 199 NZ LYS A 14 17.081 29.139 37.761 1.00 0.00 N1+ ATOM 0 H LYS A 14 20.826 29.422 32.273 1.00 0.00 H new ATOM 0 HA LYS A 14 21.451 30.903 34.723 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.697 27.977 34.365 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.685 28.897 35.857 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.012 30.490 34.547 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.803 29.110 33.489 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.054 28.945 35.101 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.228 27.732 35.571 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.141 29.158 37.315 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.255 30.552 36.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.221 29.613 38.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.187 29.461 37.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.045 28.110 37.906 1.00 0.00 H new ATOM 213 N GLY A 15 23.616 28.997 33.315 1.00 0.00 N ATOM 214 CA GLY A 15 25.031 28.630 33.282 1.00 0.00 C ATOM 215 C GLY A 15 25.459 28.047 31.934 1.00 0.00 C ATOM 216 O GLY A 15 24.668 27.972 30.996 1.00 0.00 O ATOM 0 H GLY A 15 23.142 28.816 32.430 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.636 29.510 33.501 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.232 27.902 34.068 1.00 0.00 H new ATOM 220 N ASP A 16 26.722 27.632 31.857 1.00 0.00 N ATOM 221 CA ASP A 16 27.318 26.975 30.690 1.00 0.00 C ATOM 222 C ASP A 16 27.292 25.444 30.791 1.00 0.00 C ATOM 223 O ASP A 16 27.417 24.873 31.878 1.00 0.00 O ATOM 224 CB ASP A 16 28.763 27.465 30.472 1.00 0.00 C ATOM 225 CG ASP A 16 29.778 26.828 31.434 1.00 0.00 C ATOM 226 OD1 ASP A 16 30.479 25.870 31.050 1.00 0.00 O ATOM 227 OD2 ASP A 16 29.917 27.314 32.587 1.00 0.00 O1- ATOM 0 H ASP A 16 27.381 27.746 32.627 1.00 0.00 H new ATOM 0 HA ASP A 16 26.706 27.251 29.832 1.00 0.00 H new ATOM 0 HB2 ASP A 16 29.061 27.248 29.446 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.793 28.548 30.590 1.00 0.00 H new ATOM 232 N CYS A 17 27.237 24.782 29.638 1.00 0.00 N ATOM 233 CA CYS A 17 27.463 23.346 29.499 1.00 0.00 C ATOM 234 C CYS A 17 28.906 23.045 29.039 1.00 0.00 C ATOM 235 O CYS A 17 29.366 21.902 29.108 1.00 0.00 O ATOM 236 CB CYS A 17 26.426 22.793 28.523 1.00 0.00 C ATOM 237 SG CYS A 17 26.616 21.027 28.184 1.00 0.00 S ATOM 0 H CYS A 17 27.029 25.242 28.752 1.00 0.00 H new ATOM 0 HA CYS A 17 27.347 22.856 30.466 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.429 22.971 28.926 1.00 0.00 H new ATOM 0 HB3 CYS A 17 26.493 23.343 27.585 1.00 0.00 H new ATOM 242 N LYS A 18 29.661 24.061 28.592 1.00 0.00 N ATOM 243 CA LYS A 18 31.030 23.901 28.090 1.00 0.00 C ATOM 244 C LYS A 18 31.930 23.176 29.090 1.00 0.00 C ATOM 245 O LYS A 18 32.701 22.326 28.667 1.00 0.00 O ATOM 246 CB LYS A 18 31.583 25.270 27.655 1.00 0.00 C ATOM 247 CG LYS A 18 32.854 25.137 26.795 1.00 0.00 C ATOM 248 CD LYS A 18 34.171 25.332 27.561 1.00 0.00 C ATOM 249 CE LYS A 18 34.463 26.827 27.747 1.00 0.00 C ATOM 250 NZ LYS A 18 35.835 27.087 28.246 1.00 0.00 N1+ ATOM 0 H LYS A 18 29.332 25.026 28.570 1.00 0.00 H new ATOM 0 HA LYS A 18 31.012 23.256 27.211 1.00 0.00 H new ATOM 0 HB2 LYS A 18 30.819 25.806 27.091 1.00 0.00 H new ATOM 0 HB3 LYS A 18 31.805 25.868 28.539 1.00 0.00 H new ATOM 0 HG2 LYS A 18 32.861 24.150 26.332 1.00 0.00 H new ATOM 0 HG3 LYS A 18 32.808 25.867 25.987 1.00 0.00 H new ATOM 0 HD2 LYS A 18 34.110 24.843 28.533 1.00 0.00 H new ATOM 0 HD3 LYS A 18 34.989 24.860 27.017 1.00 0.00 H new ATOM 0 HE2 LYS A 18 34.324 27.341 26.796 1.00 0.00 H new ATOM 0 HE3 LYS A 18 33.741 27.249 28.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 35.977 28.112 28.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 35.963 26.622 29.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 36.528 26.710 27.568 1.00 0.00 H new ATOM 264 N ARG A 19 31.781 23.382 30.403 1.00 0.00 N ATOM 265 CA ARG A 19 32.527 22.624 31.431 1.00 0.00 C ATOM 266 C ARG A 19 32.249 21.114 31.468 1.00 0.00 C ATOM 267 O ARG A 19 33.173 20.361 31.774 1.00 0.00 O ATOM 268 CB ARG A 19 32.302 23.270 32.813 1.00 0.00 C ATOM 269 CG ARG A 19 33.531 24.042 33.306 1.00 0.00 C ATOM 270 CD ARG A 19 34.000 25.163 32.374 1.00 0.00 C ATOM 271 NE ARG A 19 33.042 26.282 32.279 1.00 0.00 N ATOM 272 CZ ARG A 19 33.359 27.562 32.325 1.00 0.00 C ATOM 273 NH1 ARG A 19 34.582 27.986 32.201 1.00 0.00 N1+ ATOM 274 NH2 ARG A 19 32.449 28.471 32.481 1.00 0.00 N ATOM 0 H ARG A 19 31.142 24.077 30.790 1.00 0.00 H new ATOM 0 HA ARG A 19 33.577 22.689 31.146 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.449 23.946 32.760 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.049 22.495 33.536 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.306 24.471 34.283 1.00 0.00 H new ATOM 0 HG3 ARG A 19 34.352 23.339 33.448 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.958 25.543 32.728 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.168 24.752 31.379 1.00 0.00 H new ATOM 0 HE ARG A 19 32.056 26.047 32.169 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.341 27.319 32.062 1.00 0.00 H new ATOM 0 HH12 ARG A 19 34.782 28.985 32.243 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.469 28.202 32.571 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.712 29.456 32.514 1.00 0.00 H new ATOM 288 N HIS A 20 31.049 20.656 31.105 1.00 0.00 N ATOM 289 CA HIS A 20 30.736 19.224 30.952 1.00 0.00 C ATOM 290 C HIS A 20 31.333 18.649 29.657 1.00 0.00 C ATOM 291 O HIS A 20 31.931 17.573 29.686 1.00 0.00 O ATOM 292 CB HIS A 20 29.211 19.019 31.033 1.00 0.00 C ATOM 293 CG HIS A 20 28.714 17.678 30.540 1.00 0.00 C ATOM 294 ND1 HIS A 20 28.836 16.449 31.202 1.00 0.00 N ATOM 295 CD2 HIS A 20 28.031 17.483 29.376 1.00 0.00 C ATOM 296 CE1 HIS A 20 28.191 15.556 30.428 1.00 0.00 C ATOM 297 NE2 HIS A 20 27.717 16.145 29.319 1.00 0.00 N ATOM 0 H HIS A 20 30.258 21.269 30.906 1.00 0.00 H new ATOM 0 HA HIS A 20 31.199 18.671 31.769 1.00 0.00 H new ATOM 0 HB2 HIS A 20 28.898 19.146 32.069 1.00 0.00 H new ATOM 0 HB3 HIS A 20 28.724 19.804 30.455 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.784 18.234 28.641 1.00 0.00 H new ATOM 0 HE1 HIS A 20 28.071 14.510 30.667 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.211 15.681 28.564 1.00 0.00 H new ATOM 305 N CYS A 21 31.234 19.365 28.533 1.00 0.00 N ATOM 306 CA CYS A 21 31.735 18.871 27.243 1.00 0.00 C ATOM 307 C CYS A 21 33.256 19.049 27.055 1.00 0.00 C ATOM 308 O CYS A 21 33.887 18.209 26.419 1.00 0.00 O ATOM 309 CB CYS A 21 30.908 19.492 26.114 1.00 0.00 C ATOM 310 SG CYS A 21 29.172 18.950 26.093 1.00 0.00 S ATOM 0 H CYS A 21 30.810 20.292 28.489 1.00 0.00 H new ATOM 0 HA CYS A 21 31.603 17.789 27.219 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.939 20.577 26.208 1.00 0.00 H new ATOM 0 HB3 CYS A 21 31.369 19.242 25.158 1.00 0.00 H new ATOM 315 N LYS A 22 33.899 20.039 27.691 1.00 0.00 N ATOM 316 CA LYS A 22 35.366 20.226 27.687 1.00 0.00 C ATOM 317 C LYS A 22 36.093 19.035 28.334 1.00 0.00 C ATOM 318 O LYS A 22 37.178 18.664 27.888 1.00 0.00 O ATOM 319 CB LYS A 22 35.693 21.543 28.425 1.00 0.00 C ATOM 320 CG LYS A 22 37.176 21.953 28.505 1.00 0.00 C ATOM 321 CD LYS A 22 37.792 22.490 27.200 1.00 0.00 C ATOM 322 CE LYS A 22 38.120 21.402 26.166 1.00 0.00 C ATOM 323 NZ LYS A 22 39.579 21.270 25.939 1.00 0.00 N1+ ATOM 0 H LYS A 22 33.408 20.749 28.235 1.00 0.00 H new ATOM 0 HA LYS A 22 35.718 20.281 26.657 1.00 0.00 H new ATOM 0 HB2 LYS A 22 35.145 22.349 27.937 1.00 0.00 H new ATOM 0 HB3 LYS A 22 35.308 21.466 29.442 1.00 0.00 H new ATOM 0 HG2 LYS A 22 37.282 22.716 29.276 1.00 0.00 H new ATOM 0 HG3 LYS A 22 37.756 21.089 28.830 1.00 0.00 H new ATOM 0 HD2 LYS A 22 37.102 23.205 26.752 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.705 23.035 27.439 1.00 0.00 H new ATOM 0 HE2 LYS A 22 37.719 20.447 26.505 1.00 0.00 H new ATOM 0 HE3 LYS A 22 37.627 21.638 25.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 39.766 20.420 25.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 39.929 22.109 25.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 40.067 21.188 26.854 1.00 0.00 H new ATOM 337 N ALA A 23 35.471 18.372 29.313 1.00 0.00 N ATOM 338 CA ALA A 23 35.961 17.119 29.904 1.00 0.00 C ATOM 339 C ALA A 23 35.911 15.918 28.928 1.00 0.00 C ATOM 340 O ALA A 23 36.621 14.926 29.106 1.00 0.00 O ATOM 341 CB ALA A 23 35.141 16.854 31.169 1.00 0.00 C ATOM 0 H ALA A 23 34.596 18.695 29.726 1.00 0.00 H new ATOM 0 HA ALA A 23 37.018 17.232 30.146 1.00 0.00 H new ATOM 0 HB1 ALA A 23 35.479 15.928 31.635 1.00 0.00 H new ATOM 0 HB2 ALA A 23 35.272 17.681 31.867 1.00 0.00 H new ATOM 0 HB3 ALA A 23 34.087 16.764 30.907 1.00 0.00 H new ATOM 347 N GLU A 24 35.113 16.021 27.863 1.00 0.00 N ATOM 348 CA GLU A 24 35.065 15.113 26.707 1.00 0.00 C ATOM 349 C GLU A 24 35.909 15.668 25.525 1.00 0.00 C ATOM 350 O GLU A 24 35.888 15.118 24.427 1.00 0.00 O ATOM 351 CB GLU A 24 33.594 14.883 26.287 1.00 0.00 C ATOM 352 CG GLU A 24 32.599 14.508 27.401 1.00 0.00 C ATOM 353 CD GLU A 24 32.649 13.036 27.830 1.00 0.00 C ATOM 354 OE1 GLU A 24 31.693 12.285 27.518 1.00 0.00 O ATOM 355 OE2 GLU A 24 33.571 12.622 28.576 1.00 0.00 O1- ATOM 0 H GLU A 24 34.442 16.784 27.776 1.00 0.00 H new ATOM 0 HA GLU A 24 35.500 14.155 26.992 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.234 15.791 25.803 1.00 0.00 H new ATOM 0 HB3 GLU A 24 33.576 14.093 25.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 32.795 15.134 28.272 1.00 0.00 H new ATOM 0 HG3 GLU A 24 31.589 14.740 27.062 1.00 0.00 H new ATOM 362 N ASP A 25 36.641 16.772 25.734 1.00 0.00 N ATOM 363 CA ASP A 25 37.345 17.594 24.727 1.00 0.00 C ATOM 364 C ASP A 25 36.453 18.090 23.569 1.00 0.00 C ATOM 365 O ASP A 25 36.911 18.243 22.437 1.00 0.00 O ATOM 366 CB ASP A 25 38.670 16.924 24.299 1.00 0.00 C ATOM 367 CG ASP A 25 39.697 17.907 23.713 1.00 0.00 C ATOM 368 OD1 ASP A 25 40.438 17.510 22.776 1.00 0.00 O ATOM 369 OD2 ASP A 25 39.853 19.035 24.244 1.00 0.00 O1- ATOM 0 H ASP A 25 36.768 17.144 26.675 1.00 0.00 H new ATOM 0 HA ASP A 25 37.621 18.531 25.212 1.00 0.00 H new ATOM 0 HB2 ASP A 25 39.110 16.424 25.162 1.00 0.00 H new ATOM 0 HB3 ASP A 25 38.455 16.153 23.559 1.00 0.00 H new ATOM 374 N LYS A 26 35.169 18.347 23.858 1.00 0.00 N ATOM 375 CA LYS A 26 34.103 18.703 22.907 1.00 0.00 C ATOM 376 C LYS A 26 33.478 20.069 23.162 1.00 0.00 C ATOM 377 O LYS A 26 33.566 20.617 24.262 1.00 0.00 O ATOM 378 CB LYS A 26 33.002 17.629 22.944 1.00 0.00 C ATOM 379 CG LYS A 26 33.497 16.239 22.516 1.00 0.00 C ATOM 380 CD LYS A 26 32.564 15.653 21.458 1.00 0.00 C ATOM 381 CE LYS A 26 33.062 14.305 20.930 1.00 0.00 C ATOM 382 NZ LYS A 26 33.034 13.214 21.937 1.00 0.00 N1+ ATOM 0 H LYS A 26 34.826 18.310 24.818 1.00 0.00 H new ATOM 0 HA LYS A 26 34.574 18.754 21.925 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.597 17.568 23.954 1.00 0.00 H new ATOM 0 HB3 LYS A 26 32.184 17.933 22.290 1.00 0.00 H new ATOM 0 HG2 LYS A 26 34.510 16.311 22.119 1.00 0.00 H new ATOM 0 HG3 LYS A 26 33.540 15.577 23.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.568 15.529 21.883 1.00 0.00 H new ATOM 0 HD3 LYS A 26 32.472 16.354 20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 26 32.451 14.013 20.076 1.00 0.00 H new ATOM 0 HE3 LYS A 26 34.083 14.424 20.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 33.385 12.335 21.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 33.639 13.470 22.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 32.058 13.072 22.268 1.00 0.00 H new ATOM 396 N GLU A 27 32.804 20.603 22.147 1.00 0.00 N ATOM 397 CA GLU A 27 31.935 21.764 22.316 1.00 0.00 C ATOM 398 C GLU A 27 30.688 21.336 23.100 1.00 0.00 C ATOM 399 O GLU A 27 30.213 20.213 22.960 1.00 0.00 O ATOM 400 CB GLU A 27 31.531 22.382 20.964 1.00 0.00 C ATOM 401 CG GLU A 27 32.658 23.159 20.267 1.00 0.00 C ATOM 402 CD GLU A 27 32.099 24.169 19.252 1.00 0.00 C ATOM 403 OE1 GLU A 27 32.064 25.389 19.547 1.00 0.00 O ATOM 404 OE2 GLU A 27 31.687 23.773 18.139 1.00 0.00 O1- ATOM 0 H GLU A 27 32.844 20.247 21.192 1.00 0.00 H new ATOM 0 HA GLU A 27 32.482 22.531 22.865 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.189 21.587 20.301 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.686 23.052 21.121 1.00 0.00 H new ATOM 0 HG2 GLU A 27 33.256 23.683 21.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 33.323 22.461 19.759 1.00 0.00 H new ATOM 411 N GLY A 28 30.148 22.230 23.921 1.00 0.00 N ATOM 412 CA GLY A 28 28.842 22.077 24.583 1.00 0.00 C ATOM 413 C GLY A 28 27.792 23.014 23.986 1.00 0.00 C ATOM 414 O GLY A 28 28.120 24.168 23.679 1.00 0.00 O ATOM 0 H GLY A 28 30.613 23.107 24.156 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.505 21.045 24.488 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.948 22.281 25.648 1.00 0.00 H new ATOM 418 N ILE A 29 26.549 22.542 23.807 1.00 0.00 N ATOM 419 CA ILE A 29 25.461 23.314 23.202 1.00 0.00 C ATOM 420 C ILE A 29 24.099 22.993 23.844 1.00 0.00 C ATOM 421 O ILE A 29 23.681 21.836 23.951 1.00 0.00 O ATOM 422 CB ILE A 29 25.521 23.177 21.662 1.00 0.00 C ATOM 423 CG1 ILE A 29 24.614 24.193 20.945 1.00 0.00 C ATOM 424 CG2 ILE A 29 25.356 21.748 21.124 1.00 0.00 C ATOM 425 CD1 ILE A 29 23.176 23.746 20.677 1.00 0.00 C ATOM 0 H ILE A 29 26.271 21.600 24.083 1.00 0.00 H new ATOM 0 HA ILE A 29 25.594 24.375 23.415 1.00 0.00 H new ATOM 0 HB ILE A 29 26.551 23.432 21.411 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.583 25.105 21.541 1.00 0.00 H new ATOM 0 HG13 ILE A 29 25.076 24.451 19.992 1.00 0.00 H new ATOM 0 HG21 ILE A 29 25.413 21.760 20.036 1.00 0.00 H new ATOM 0 HG22 ILE A 29 26.150 21.116 21.522 1.00 0.00 H new ATOM 0 HG23 ILE A 29 24.388 21.353 21.432 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.636 24.544 20.168 1.00 0.00 H new ATOM 0 HD12 ILE A 29 23.183 22.855 20.049 1.00 0.00 H new ATOM 0 HD13 ILE A 29 22.683 23.519 21.622 1.00 0.00 H new ATOM 437 N CYS A 30 23.405 24.036 24.304 1.00 0.00 N ATOM 438 CA CYS A 30 22.125 23.918 25.005 1.00 0.00 C ATOM 439 C CYS A 30 20.962 23.559 24.061 1.00 0.00 C ATOM 440 O CYS A 30 20.516 24.384 23.261 1.00 0.00 O ATOM 441 CB CYS A 30 21.832 25.223 25.762 1.00 0.00 C ATOM 442 SG CYS A 30 22.923 25.589 27.164 1.00 0.00 S ATOM 0 H CYS A 30 23.721 25.000 24.198 1.00 0.00 H new ATOM 0 HA CYS A 30 22.210 23.094 25.714 1.00 0.00 H new ATOM 0 HB2 CYS A 30 21.891 26.051 25.055 1.00 0.00 H new ATOM 0 HB3 CYS A 30 20.805 25.186 26.126 1.00 0.00 H new ATOM 447 N HIS A 31 20.418 22.349 24.204 1.00 0.00 N ATOM 448 CA HIS A 31 19.175 21.902 23.560 1.00 0.00 C ATOM 449 C HIS A 31 18.069 21.785 24.615 1.00 0.00 C ATOM 450 O HIS A 31 18.014 20.831 25.396 1.00 0.00 O ATOM 451 CB HIS A 31 19.394 20.589 22.794 1.00 0.00 C ATOM 452 CG HIS A 31 20.072 20.747 21.453 1.00 0.00 C ATOM 453 ND1 HIS A 31 19.425 20.727 20.211 1.00 0.00 N ATOM 454 CD2 HIS A 31 21.418 20.778 21.238 1.00 0.00 C ATOM 455 CE1 HIS A 31 20.398 20.716 19.284 1.00 0.00 C ATOM 456 NE2 HIS A 31 21.600 20.735 19.877 1.00 0.00 N ATOM 0 H HIS A 31 20.841 21.628 24.789 1.00 0.00 H new ATOM 0 HA HIS A 31 18.861 22.640 22.822 1.00 0.00 H new ATOM 0 HB2 HIS A 31 19.992 19.919 23.412 1.00 0.00 H new ATOM 0 HB3 HIS A 31 18.428 20.107 22.643 1.00 0.00 H new ATOM 0 HD2 HIS A 31 22.191 20.827 21.991 1.00 0.00 H new ATOM 0 HE1 HIS A 31 20.235 20.695 18.217 1.00 0.00 H new ATOM 0 HE2 HIS A 31 22.500 20.720 19.397 1.00 0.00 H new ATOM 464 N GLY A 32 17.181 22.774 24.630 1.00 0.00 N ATOM 465 CA GLY A 32 16.041 22.881 25.536 1.00 0.00 C ATOM 466 C GLY A 32 16.452 23.159 26.978 1.00 0.00 C ATOM 467 O GLY A 32 17.145 24.136 27.262 1.00 0.00 O ATOM 0 H GLY A 32 17.239 23.559 23.981 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.383 23.679 25.191 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.466 21.956 25.499 1.00 0.00 H new ATOM 471 N THR A 33 16.013 22.288 27.881 1.00 0.00 N ATOM 472 CA THR A 33 16.339 22.265 29.321 1.00 0.00 C ATOM 473 C THR A 33 17.473 21.288 29.665 1.00 0.00 C ATOM 474 O THR A 33 17.667 20.923 30.828 1.00 0.00 O ATOM 475 CB THR A 33 15.079 21.962 30.140 1.00 0.00 C ATOM 476 OG1 THR A 33 14.519 20.742 29.709 1.00 0.00 O ATOM 477 CG2 THR A 33 14.006 23.037 29.965 1.00 0.00 C ATOM 0 H THR A 33 15.382 21.530 27.622 1.00 0.00 H new ATOM 0 HA THR A 33 16.708 23.256 29.584 1.00 0.00 H new ATOM 0 HB THR A 33 15.383 21.923 31.186 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.715 20.548 30.234 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.132 22.780 30.564 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.399 24.000 30.291 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.721 23.099 28.915 1.00 0.00 H new ATOM 485 N LYS A 34 18.201 20.844 28.632 1.00 0.00 N ATOM 486 CA LYS A 34 19.345 19.933 28.638 1.00 0.00 C ATOM 487 C LYS A 34 20.462 20.438 27.711 1.00 0.00 C ATOM 488 O LYS A 34 20.398 21.530 27.146 1.00 0.00 O ATOM 489 CB LYS A 34 18.843 18.550 28.181 1.00 0.00 C ATOM 490 CG LYS A 34 17.854 17.897 29.151 1.00 0.00 C ATOM 491 CD LYS A 34 18.504 17.637 30.517 1.00 0.00 C ATOM 492 CE LYS A 34 17.717 16.594 31.295 1.00 0.00 C ATOM 493 NZ LYS A 34 16.337 17.025 31.610 1.00 0.00 N1+ ATOM 0 H LYS A 34 17.980 21.144 27.683 1.00 0.00 H new ATOM 0 HA LYS A 34 19.768 19.873 29.641 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.367 18.651 27.206 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.699 17.888 28.051 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.984 18.542 29.276 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.496 16.957 28.731 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.530 17.297 30.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.550 18.565 31.087 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.680 15.670 30.718 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.242 16.369 32.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.868 16.295 32.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.365 17.918 32.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.807 17.165 30.726 1.00 0.00 H new ATOM 507 N CYS A 35 21.494 19.617 27.548 1.00 0.00 N ATOM 508 CA CYS A 35 22.634 19.874 26.682 1.00 0.00 C ATOM 509 C CYS A 35 22.954 18.658 25.796 1.00 0.00 C ATOM 510 O CYS A 35 22.543 17.527 26.070 1.00 0.00 O ATOM 511 CB CYS A 35 23.817 20.269 27.567 1.00 0.00 C ATOM 512 SG CYS A 35 25.317 20.730 26.680 1.00 0.00 S ATOM 0 H CYS A 35 21.560 18.723 28.034 1.00 0.00 H new ATOM 0 HA CYS A 35 22.407 20.689 25.995 1.00 0.00 H new ATOM 0 HB2 CYS A 35 23.515 21.105 28.198 1.00 0.00 H new ATOM 0 HB3 CYS A 35 24.048 19.436 28.231 1.00 0.00 H new ATOM 517 N LYS A 36 23.703 18.919 24.728 1.00 0.00 N ATOM 518 CA LYS A 36 24.315 17.985 23.806 1.00 0.00 C ATOM 519 C LYS A 36 25.750 18.453 23.607 1.00 0.00 C ATOM 520 O LYS A 36 26.007 19.657 23.565 1.00 0.00 O ATOM 521 CB LYS A 36 23.515 18.071 22.502 1.00 0.00 C ATOM 522 CG LYS A 36 22.399 17.026 22.452 1.00 0.00 C ATOM 523 CD LYS A 36 21.612 17.098 21.141 1.00 0.00 C ATOM 524 CE LYS A 36 20.423 16.139 21.232 1.00 0.00 C ATOM 525 NZ LYS A 36 19.667 16.093 19.961 1.00 0.00 N1+ ATOM 0 H LYS A 36 23.912 19.883 24.468 1.00 0.00 H new ATOM 0 HA LYS A 36 24.317 16.954 24.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 23.085 19.068 22.404 1.00 0.00 H new ATOM 0 HB3 LYS A 36 24.185 17.929 21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.828 16.030 22.564 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.721 17.178 23.292 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.264 18.116 20.964 1.00 0.00 H new ATOM 0 HD3 LYS A 36 22.252 16.829 20.300 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.778 15.139 21.482 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.761 16.453 22.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.868 15.434 20.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.308 17.043 19.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.293 15.770 19.196 1.00 0.00 H new ATOM 539 N CYS A 37 26.685 17.523 23.502 1.00 0.00 N ATOM 540 CA CYS A 37 28.035 17.867 23.071 1.00 0.00 C ATOM 541 C CYS A 37 28.084 17.905 21.536 1.00 0.00 C ATOM 542 O CYS A 37 27.542 17.029 20.855 1.00 0.00 O ATOM 543 CB CYS A 37 29.099 16.967 23.706 1.00 0.00 C ATOM 544 SG CYS A 37 29.175 16.979 25.528 1.00 0.00 S ATOM 0 H CYS A 37 26.540 16.534 23.706 1.00 0.00 H new ATOM 0 HA CYS A 37 28.284 18.865 23.432 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.923 15.943 23.377 1.00 0.00 H new ATOM 0 HB3 CYS A 37 30.074 17.263 23.320 1.00 0.00 H new ATOM 549 N GLY A 38 28.710 18.944 20.997 1.00 0.00 N ATOM 550 CA GLY A 38 28.940 19.131 19.572 1.00 0.00 C ATOM 551 C GLY A 38 30.216 18.421 19.127 1.00 0.00 C ATOM 552 O GLY A 38 30.539 17.339 19.613 1.00 0.00 O ATOM 0 H GLY A 38 29.085 19.706 21.562 1.00 0.00 H new ATOM 0 HA2 GLY A 38 28.090 18.746 19.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.015 20.195 19.348 1.00 0.00 H new ATOM 556 N VAL A 39 30.967 19.047 18.224 1.00 0.00 N ATOM 557 CA VAL A 39 32.252 18.522 17.733 1.00 0.00 C ATOM 558 C VAL A 39 33.395 18.589 18.758 1.00 0.00 C ATOM 559 O VAL A 39 33.381 19.443 19.646 1.00 0.00 O ATOM 560 CB VAL A 39 32.688 19.212 16.425 1.00 0.00 C ATOM 561 CG1 VAL A 39 31.835 18.720 15.255 1.00 0.00 C ATOM 562 CG2 VAL A 39 32.636 20.741 16.519 1.00 0.00 C ATOM 0 H VAL A 39 30.705 19.939 17.806 1.00 0.00 H new ATOM 0 HA VAL A 39 32.060 17.466 17.544 1.00 0.00 H new ATOM 0 HB VAL A 39 33.729 18.940 16.253 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.154 19.216 14.338 1.00 0.00 H new ATOM 0 HG12 VAL A 39 31.955 17.642 15.145 1.00 0.00 H new ATOM 0 HG13 VAL A 39 30.787 18.951 15.446 1.00 0.00 H new ATOM 0 HG21 VAL A 39 32.953 21.175 15.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.617 21.057 16.740 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.301 21.080 17.313 1.00 0.00 H new ATOM 572 N PRO A 40 34.416 17.716 18.641 1.00 0.00 N ATOM 573 CA PRO A 40 35.655 17.811 19.405 1.00 0.00 C ATOM 574 C PRO A 40 36.389 19.116 19.064 1.00 0.00 C ATOM 575 O PRO A 40 36.472 19.503 17.891 1.00 0.00 O ATOM 576 CB PRO A 40 36.457 16.547 19.080 1.00 0.00 C ATOM 577 CG PRO A 40 35.913 16.093 17.726 1.00 0.00 C ATOM 578 CD PRO A 40 34.473 16.602 17.713 1.00 0.00 C ATOM 0 HA PRO A 40 35.484 17.856 20.481 1.00 0.00 H new ATOM 0 HB2 PRO A 40 37.526 16.756 19.030 1.00 0.00 H new ATOM 0 HB3 PRO A 40 36.318 15.780 19.842 1.00 0.00 H new ATOM 0 HG2 PRO A 40 36.492 16.513 16.903 1.00 0.00 H new ATOM 0 HG3 PRO A 40 35.953 15.009 17.624 1.00 0.00 H new ATOM 0 HD2 PRO A 40 34.183 16.918 16.711 1.00 0.00 H new ATOM 0 HD3 PRO A 40 33.781 15.814 18.011 1.00 0.00 H new