USER MOD reduce.3.24.130724 H: found=0, std=0, add=209, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 209 hydrogens (3 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 2 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -58:sc= 1.32 USER MOD Single : A 10 SER OG : rot 96:sc= 1.24 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= -0.0305 (180deg=-0.0683) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 0.812 (180deg=-0.0574) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=-0.27) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 37.667 17.276 14.274 1.00 10.00 C HETATM 2 O ACE A 1 38.043 18.457 14.163 1.00 10.00 O HETATM 3 CH3 ACE A 1 38.707 16.146 14.138 1.00 10.00 C HETATM 0 H1 ACE A 1 38.735 15.564 15.059 1.00 10.00 H new HETATM 0 H2 ACE A 1 38.432 15.496 13.307 1.00 10.00 H new HETATM 0 H3 ACE A 1 39.690 16.577 13.951 1.00 10.00 H new ATOM 7 N SER A 2 36.368 16.967 14.441 1.00 10.00 N ATOM 8 CA SER A 2 35.320 17.953 14.505 1.00 10.00 C ATOM 9 C SER A 2 35.535 19.010 15.640 1.00 10.00 C ATOM 10 O SER A 2 35.229 20.199 15.534 1.00 10.00 O ATOM 11 CB SER A 2 33.955 17.315 14.579 1.00 10.00 C ATOM 12 OG SER A 2 33.992 16.232 15.445 1.00 10.00 O ATOM 0 H SER A 2 36.032 16.008 14.534 1.00 10.00 H new ATOM 0 HA SER A 2 35.371 18.508 13.568 1.00 10.00 H new ATOM 0 HB2 SER A 2 33.221 18.043 14.923 1.00 10.00 H new ATOM 0 HB3 SER A 2 33.641 16.990 13.587 1.00 10.00 H new ATOM 0 HG SER A 2 33.104 15.821 15.492 1.00 10.00 H new ATOM 18 N ASP A 3 36.072 18.485 16.733 1.00 10.00 N ATOM 19 CA ASP A 3 36.395 19.329 17.922 1.00 10.00 C ATOM 20 C ASP A 3 37.603 20.272 17.816 1.00 10.00 C ATOM 21 O ASP A 3 37.757 21.209 18.582 1.00 10.00 O ATOM 22 CB ASP A 3 36.497 18.337 19.043 1.00 10.00 C ATOM 23 CG ASP A 3 36.589 18.968 20.460 1.00 10.00 C ATOM 24 OD1 ASP A 3 35.650 19.797 20.709 1.00 10.00 O ATOM 25 OD2 ASP A 3 37.476 18.691 21.240 1.00 10.00 O ATOM 0 H ASP A 3 36.298 17.496 16.841 1.00 10.00 H new ATOM 0 HA ASP A 3 35.616 20.077 18.066 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.629 17.679 19.008 1.00 10.00 H new ATOM 0 HB3 ASP A 3 37.376 17.713 18.880 1.00 10.00 H new ATOM 30 N ALA A 4 38.517 20.119 16.803 1.00 10.00 N ATOM 31 CA ALA A 4 39.555 21.084 16.441 1.00 10.00 C ATOM 32 C ALA A 4 38.977 22.344 15.812 1.00 10.00 C ATOM 33 O ALA A 4 39.478 23.420 15.972 1.00 10.00 O ATOM 34 CB ALA A 4 40.559 20.290 15.540 1.00 10.00 C ATOM 0 H ALA A 4 38.533 19.288 16.212 1.00 10.00 H new ATOM 0 HA ALA A 4 40.080 21.482 17.310 1.00 10.00 H new ATOM 0 HB1 ALA A 4 41.368 20.950 15.228 1.00 10.00 H new ATOM 0 HB2 ALA A 4 40.970 19.453 16.104 1.00 10.00 H new ATOM 0 HB3 ALA A 4 40.038 19.913 14.660 1.00 10.00 H new ATOM 40 N ALA A 5 37.862 22.210 15.012 1.00 10.00 N ATOM 41 CA ALA A 5 37.185 23.453 14.558 1.00 10.00 C ATOM 42 C ALA A 5 36.678 24.261 15.790 1.00 10.00 C ATOM 43 O ALA A 5 36.464 25.475 15.717 1.00 10.00 O ATOM 44 CB ALA A 5 36.076 23.091 13.566 1.00 10.00 C ATOM 0 H ALA A 5 37.452 21.331 14.698 1.00 10.00 H new ATOM 0 HA ALA A 5 37.883 24.104 14.031 1.00 10.00 H new ATOM 0 HB1 ALA A 5 35.577 24.000 13.231 1.00 10.00 H new ATOM 0 HB2 ALA A 5 36.509 22.577 12.708 1.00 10.00 H new ATOM 0 HB3 ALA A 5 35.352 22.438 14.053 1.00 10.00 H new ATOM 50 N VAL A 6 36.447 23.598 16.948 1.00 10.00 N ATOM 51 CA VAL A 6 35.903 24.219 18.148 1.00 10.00 C ATOM 52 C VAL A 6 37.027 24.329 19.171 1.00 10.00 C ATOM 53 O VAL A 6 36.877 24.371 20.356 1.00 10.00 O ATOM 54 CB VAL A 6 34.783 23.348 18.703 1.00 10.00 C ATOM 55 CG1 VAL A 6 33.962 24.111 19.759 1.00 10.00 C ATOM 56 CG2 VAL A 6 33.738 22.825 17.793 1.00 10.00 C ATOM 0 H VAL A 6 36.641 22.603 17.062 1.00 10.00 H new ATOM 0 HA VAL A 6 35.502 25.207 17.922 1.00 10.00 H new ATOM 0 HB VAL A 6 35.379 22.503 19.049 1.00 10.00 H new ATOM 0 HG11 VAL A 6 33.169 23.467 20.139 1.00 10.00 H new ATOM 0 HG12 VAL A 6 34.613 24.408 20.581 1.00 10.00 H new ATOM 0 HG13 VAL A 6 33.522 24.999 19.306 1.00 10.00 H new ATOM 0 HG21 VAL A 6 33.026 22.227 18.362 1.00 10.00 H new ATOM 0 HG22 VAL A 6 33.217 23.658 17.321 1.00 10.00 H new ATOM 0 HG23 VAL A 6 34.201 22.204 17.026 1.00 10.00 H new ATOM 66 N ASP A 7 38.239 24.573 18.654 1.00 10.00 N ATOM 67 CA ASP A 7 39.468 24.744 19.459 1.00 10.00 C ATOM 68 C ASP A 7 39.751 23.728 20.589 1.00 10.00 C ATOM 69 O ASP A 7 40.054 23.987 21.757 1.00 10.00 O ATOM 70 CB ASP A 7 39.552 26.222 19.884 1.00 10.00 C ATOM 71 CG ASP A 7 40.931 26.457 20.396 1.00 10.00 C ATOM 72 OD1 ASP A 7 41.851 26.416 19.561 1.00 10.00 O ATOM 73 OD2 ASP A 7 41.086 26.688 21.660 1.00 10.00 O ATOM 0 H ASP A 7 38.401 24.659 17.651 1.00 10.00 H new ATOM 0 HA ASP A 7 40.302 24.481 18.808 1.00 10.00 H new ATOM 0 HB2 ASP A 7 39.338 26.878 19.040 1.00 10.00 H new ATOM 0 HB3 ASP A 7 38.813 26.443 20.654 1.00 10.00 H new ATOM 78 N THR A 8 39.405 22.480 20.313 1.00 10.00 N ATOM 79 CA THR A 8 39.435 21.318 21.131 1.00 10.00 C ATOM 80 C THR A 8 38.745 21.432 22.440 1.00 10.00 C ATOM 81 O THR A 8 39.366 21.534 23.501 1.00 10.00 O ATOM 82 CB THR A 8 40.875 20.635 21.175 1.00 10.00 C ATOM 83 OG1 THR A 8 41.341 20.398 19.907 1.00 10.00 O ATOM 84 CG2 THR A 8 40.810 19.254 21.918 1.00 10.00 C ATOM 0 H THR A 8 39.053 22.250 19.384 1.00 10.00 H new ATOM 0 HA THR A 8 38.794 20.602 20.617 1.00 10.00 H new ATOM 0 HB THR A 8 41.539 21.321 21.701 1.00 10.00 H new ATOM 0 HG1 THR A 8 42.226 19.980 19.957 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.803 18.804 21.937 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.461 19.406 22.939 1.00 10.00 H new ATOM 0 HG23 THR A 8 40.121 18.591 21.394 1.00 10.00 H new ATOM 92 N SER A 9 37.392 21.507 22.394 1.00 10.00 N ATOM 93 CA SER A 9 36.487 21.746 23.535 1.00 10.00 C ATOM 94 C SER A 9 36.409 20.569 24.450 1.00 10.00 C ATOM 95 O SER A 9 35.950 20.659 25.619 1.00 10.00 O ATOM 96 CB SER A 9 35.115 22.251 23.074 1.00 10.00 C ATOM 97 OG SER A 9 34.281 21.284 22.460 1.00 10.00 O ATOM 0 H SER A 9 36.883 21.397 21.517 1.00 10.00 H new ATOM 0 HA SER A 9 36.919 22.549 24.131 1.00 10.00 H new ATOM 0 HB2 SER A 9 34.590 22.662 23.937 1.00 10.00 H new ATOM 0 HB3 SER A 9 35.267 23.072 22.373 1.00 10.00 H new ATOM 0 HG SER A 9 34.736 20.910 21.677 1.00 10.00 H new ATOM 103 N SER A 10 36.926 19.450 23.960 1.00 10.00 N ATOM 104 CA SER A 10 37.229 18.259 24.758 1.00 10.00 C ATOM 105 C SER A 10 38.113 18.559 26.042 1.00 10.00 C ATOM 106 O SER A 10 38.082 17.751 26.995 1.00 10.00 O ATOM 107 CB SER A 10 37.863 17.096 23.921 1.00 10.00 C ATOM 108 OG SER A 10 37.132 16.699 22.779 1.00 10.00 O ATOM 0 H SER A 10 37.154 19.338 22.972 1.00 10.00 H new ATOM 0 HA SER A 10 36.253 17.923 25.107 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.860 17.402 23.604 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.987 16.230 24.571 1.00 10.00 H new ATOM 0 HG SER A 10 37.486 17.158 21.988 1.00 10.00 H new ATOM 114 N GLU A 11 38.805 19.682 26.098 1.00 10.00 N ATOM 115 CA GLU A 11 39.601 20.115 27.229 1.00 10.00 C ATOM 116 C GLU A 11 38.955 21.229 28.069 1.00 10.00 C ATOM 117 O GLU A 11 39.314 21.435 29.220 1.00 10.00 O ATOM 118 CB GLU A 11 40.959 20.736 26.817 1.00 10.00 C ATOM 119 CG GLU A 11 41.851 19.607 26.322 1.00 10.00 C ATOM 120 CD GLU A 11 43.192 20.176 25.771 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.146 20.802 24.700 1.00 10.00 O ATOM 122 OE2 GLU A 11 44.221 19.989 26.391 1.00 10.00 O ATOM 0 H GLU A 11 38.828 20.345 25.323 1.00 10.00 H new ATOM 0 HA GLU A 11 39.705 19.187 27.791 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.817 21.482 26.035 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.420 21.245 27.664 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.051 18.910 27.136 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.338 19.046 25.541 1.00 10.00 H new ATOM 129 N ILE A 12 38.035 22.021 27.460 1.00 10.00 N ATOM 130 CA ILE A 12 37.351 23.208 28.079 1.00 10.00 C ATOM 131 C ILE A 12 36.232 22.850 29.039 1.00 10.00 C ATOM 132 O ILE A 12 35.684 23.652 29.806 1.00 10.00 O ATOM 133 CB ILE A 12 37.025 24.342 27.176 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.726 24.104 26.347 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.136 24.853 26.262 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.385 24.768 26.838 1.00 10.00 C ATOM 0 H ILE A 12 37.734 21.855 26.500 1.00 10.00 H new ATOM 0 HA ILE A 12 38.149 23.625 28.694 1.00 10.00 H new ATOM 0 HB ILE A 12 36.868 25.144 27.897 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.914 24.450 25.331 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.561 23.028 26.292 1.00 10.00 H new ATOM 0 HG21 ILE A 12 37.760 25.680 25.659 1.00 10.00 H new ATOM 0 HG22 ILE A 12 38.975 25.197 26.867 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.467 24.048 25.607 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.578 24.506 26.154 1.00 10.00 H new ATOM 0 HD12 ILE A 12 34.145 24.407 27.838 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.503 25.851 26.862 1.00 10.00 H new ATOM 148 N THR A 13 35.705 21.647 28.921 1.00 10.00 N ATOM 149 CA THR A 13 34.558 21.043 29.509 1.00 10.00 C ATOM 150 C THR A 13 34.235 21.336 30.978 1.00 10.00 C ATOM 151 O THR A 13 33.125 21.534 31.380 1.00 10.00 O ATOM 152 CB THR A 13 34.374 19.567 29.079 1.00 10.00 C ATOM 153 OG1 THR A 13 33.467 19.016 30.036 1.00 10.00 O ATOM 154 CG2 THR A 13 35.701 18.746 29.281 1.00 10.00 C ATOM 0 H THR A 13 36.162 20.975 28.304 1.00 10.00 H new ATOM 0 HA THR A 13 33.750 21.616 29.054 1.00 10.00 H new ATOM 0 HB THR A 13 34.057 19.523 28.037 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.300 18.074 29.824 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.541 17.713 28.971 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.496 19.186 28.680 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.986 18.769 30.333 1.00 10.00 H new ATOM 162 N THR A 14 35.309 21.481 31.855 1.00 10.00 N ATOM 163 CA THR A 14 34.953 21.789 33.293 1.00 10.00 C ATOM 164 C THR A 14 34.358 23.197 33.531 1.00 10.00 C ATOM 165 O THR A 14 33.504 23.394 34.408 1.00 10.00 O ATOM 166 CB THR A 14 36.102 21.440 34.277 1.00 10.00 C ATOM 167 OG1 THR A 14 36.734 20.266 33.952 1.00 10.00 O ATOM 168 CG2 THR A 14 35.605 21.513 35.695 1.00 10.00 C ATOM 0 H THR A 14 36.300 21.401 31.628 1.00 10.00 H new ATOM 0 HA THR A 14 34.127 21.115 33.521 1.00 10.00 H new ATOM 0 HB THR A 14 36.888 22.190 34.184 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.450 20.090 34.598 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.418 21.267 36.378 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.248 22.521 35.904 1.00 10.00 H new ATOM 0 HG23 THR A 14 34.789 20.804 35.831 1.00 10.00 H new ATOM 176 N LYS A 15 34.638 24.121 32.625 1.00 10.00 N ATOM 177 CA LYS A 15 33.940 25.439 32.594 1.00 10.00 C ATOM 178 C LYS A 15 32.590 25.339 32.082 1.00 10.00 C ATOM 179 O LYS A 15 31.736 25.904 32.763 1.00 10.00 O ATOM 180 CB LYS A 15 34.709 26.410 31.674 1.00 10.00 C ATOM 181 CG LYS A 15 36.045 26.869 32.225 1.00 10.00 C ATOM 182 CD LYS A 15 36.920 27.520 31.174 1.00 10.00 C ATOM 183 CE LYS A 15 38.305 27.894 31.792 1.00 10.00 C ATOM 184 NZ LYS A 15 39.129 28.601 30.801 1.00 10.00 N ATOM 0 H LYS A 15 35.339 24.002 31.894 1.00 10.00 H new ATOM 0 HA LYS A 15 33.903 25.797 33.623 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.874 25.926 30.711 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.086 27.285 31.488 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.875 27.575 33.038 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.571 26.014 32.650 1.00 10.00 H new ATOM 0 HD2 LYS A 15 37.059 26.841 30.333 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.432 28.414 30.785 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.161 28.522 32.671 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.818 26.992 32.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 40.048 28.845 31.224 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 39.280 27.988 29.974 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.643 29.471 30.503 1.00 10.00 H new ATOM 198 N ASP A 16 32.369 24.433 31.076 1.00 10.00 N ATOM 199 CA ASP A 16 31.030 24.079 30.547 1.00 10.00 C ATOM 200 C ASP A 16 30.214 23.197 31.513 1.00 10.00 C ATOM 201 O ASP A 16 28.983 23.336 31.452 1.00 10.00 O ATOM 202 CB ASP A 16 31.264 23.314 29.256 1.00 10.00 C ATOM 203 CG ASP A 16 30.004 23.056 28.455 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.466 23.961 27.787 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.449 21.939 28.513 1.00 10.00 O ATOM 0 H ASP A 16 33.127 23.931 30.614 1.00 10.00 H new ATOM 0 HA ASP A 16 30.454 24.993 30.401 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.967 23.872 28.638 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.734 22.359 29.492 1.00 10.00 H new ATOM 210 N LEU A 17 30.782 22.547 32.458 1.00 10.00 N ATOM 211 CA LEU A 17 30.147 21.712 33.455 1.00 10.00 C ATOM 212 C LEU A 17 29.759 22.428 34.737 1.00 10.00 C ATOM 213 O LEU A 17 28.766 22.103 35.312 1.00 10.00 O ATOM 214 CB LEU A 17 30.969 20.448 33.620 1.00 10.00 C ATOM 215 CG LEU A 17 30.911 19.626 32.316 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.945 18.529 32.579 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.593 19.001 31.864 1.00 10.00 C ATOM 0 H LEU A 17 31.794 22.576 32.581 1.00 10.00 H new ATOM 0 HA LEU A 17 29.160 21.419 33.096 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.002 20.701 33.858 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.586 19.858 34.452 1.00 10.00 H new ATOM 0 HG LEU A 17 31.084 20.310 31.485 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.001 17.867 31.715 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.921 18.983 32.753 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.651 17.955 33.457 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.747 18.463 30.929 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.238 18.308 32.627 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.851 19.785 31.713 1.00 10.00 H new ATOM 229 N LYS A 18 30.517 23.399 35.183 1.00 10.00 N ATOM 230 CA LYS A 18 30.118 24.352 36.269 1.00 10.00 C ATOM 231 C LYS A 18 29.091 25.274 35.745 1.00 10.00 C ATOM 232 O LYS A 18 28.291 25.835 36.462 1.00 10.00 O ATOM 233 CB LYS A 18 31.348 25.047 36.849 1.00 10.00 C ATOM 234 CG LYS A 18 31.897 24.260 37.983 1.00 10.00 C ATOM 235 CD LYS A 18 32.833 23.099 37.479 1.00 10.00 C ATOM 236 CE LYS A 18 33.425 22.289 38.669 1.00 10.00 C ATOM 237 NZ LYS A 18 33.941 23.078 39.789 1.00 10.00 N ATOM 0 H LYS A 18 31.451 23.579 34.815 1.00 10.00 H new ATOM 0 HA LYS A 18 29.668 23.820 37.107 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.108 25.162 36.076 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.083 26.049 37.187 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.457 24.918 38.647 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.078 23.841 38.567 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.269 22.432 36.828 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.644 23.517 36.882 1.00 10.00 H new ATOM 0 HE2 LYS A 18 32.652 21.620 39.047 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.232 21.662 38.290 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 34.356 22.442 40.500 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 34.670 23.734 39.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 33.164 23.619 40.220 1.00 10.00 H new ATOM 251 N GLU A 19 28.900 25.338 34.449 1.00 10.00 N ATOM 252 CA GLU A 19 27.697 25.914 33.891 1.00 10.00 C ATOM 253 C GLU A 19 26.547 24.860 33.989 1.00 10.00 C ATOM 254 O GLU A 19 25.561 25.190 34.606 1.00 10.00 O ATOM 255 CB GLU A 19 27.972 26.243 32.428 1.00 10.00 C ATOM 256 CG GLU A 19 28.035 27.770 32.304 1.00 10.00 C ATOM 257 CD GLU A 19 28.499 28.267 30.911 1.00 10.00 C ATOM 258 OE1 GLU A 19 28.219 27.568 29.899 1.00 10.00 O ATOM 259 OE2 GLU A 19 28.949 29.436 30.850 1.00 10.00 O ATOM 0 H GLU A 19 29.566 24.996 33.756 1.00 10.00 H new ATOM 0 HA GLU A 19 27.406 26.816 34.429 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.910 25.793 32.103 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.187 25.838 31.790 1.00 10.00 H new ATOM 0 HG2 GLU A 19 27.049 28.183 32.517 1.00 10.00 H new ATOM 0 HG3 GLU A 19 28.714 28.159 33.063 1.00 10.00 H new ATOM 266 N LYS A 20 26.706 23.620 33.581 1.00 10.00 N ATOM 267 CA LYS A 20 25.696 22.509 33.744 1.00 10.00 C ATOM 268 C LYS A 20 25.142 22.364 35.163 1.00 10.00 C ATOM 269 O LYS A 20 23.975 22.142 35.357 1.00 10.00 O ATOM 270 CB LYS A 20 26.162 21.043 33.252 1.00 10.00 C ATOM 271 CG LYS A 20 26.429 20.968 31.706 1.00 10.00 C ATOM 272 CD LYS A 20 25.409 21.745 30.858 1.00 10.00 C ATOM 273 CE LYS A 20 25.644 21.591 29.304 1.00 10.00 C ATOM 274 NZ LYS A 20 26.877 22.333 28.891 1.00 10.00 N ATOM 0 H LYS A 20 27.555 23.311 33.108 1.00 10.00 H new ATOM 0 HA LYS A 20 24.915 22.859 33.069 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.069 20.759 33.786 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.395 20.316 33.518 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.427 21.355 31.501 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.423 19.923 31.397 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.405 21.399 31.103 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.456 22.801 31.123 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.742 20.536 29.047 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.781 21.973 28.759 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.771 22.664 27.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 27.017 23.150 29.519 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.701 21.701 28.956 1.00 10.00 H new ATOM 288 N LYS A 21 25.995 22.579 36.195 1.00 10.00 N ATOM 289 CA LYS A 21 25.581 22.583 37.673 1.00 10.00 C ATOM 290 C LYS A 21 25.012 23.824 38.181 1.00 10.00 C ATOM 291 O LYS A 21 24.197 23.720 39.079 1.00 10.00 O ATOM 292 CB LYS A 21 26.793 22.238 38.632 1.00 10.00 C ATOM 293 CG LYS A 21 27.103 20.805 38.631 1.00 10.00 C ATOM 294 CD LYS A 21 25.919 20.027 39.222 1.00 10.00 C ATOM 295 CE LYS A 21 26.501 18.593 39.507 1.00 10.00 C ATOM 296 NZ LYS A 21 25.869 18.077 40.726 1.00 10.00 N ATOM 0 H LYS A 21 26.990 22.756 36.057 1.00 10.00 H new ATOM 0 HA LYS A 21 24.802 21.820 37.683 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.674 22.800 38.320 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.555 22.557 39.647 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.304 20.466 37.615 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.004 20.616 39.214 1.00 10.00 H new ATOM 0 HD2 LYS A 21 25.551 20.496 40.135 1.00 10.00 H new ATOM 0 HD3 LYS A 21 25.082 19.986 38.525 1.00 10.00 H new ATOM 0 HE2 LYS A 21 26.304 17.928 38.666 1.00 10.00 H new ATOM 0 HE3 LYS A 21 27.583 18.639 39.630 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 26.240 17.128 40.934 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 26.079 18.713 41.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 24.840 18.024 40.588 1.00 10.00 H new ATOM 310 N GLU A 22 25.201 24.955 37.505 1.00 10.00 N ATOM 311 CA GLU A 22 24.511 26.259 37.867 1.00 10.00 C ATOM 312 C GLU A 22 23.141 26.086 37.243 1.00 10.00 C ATOM 313 O GLU A 22 22.157 26.202 37.957 1.00 10.00 O ATOM 314 CB GLU A 22 25.233 27.421 37.269 1.00 10.00 C ATOM 315 CG GLU A 22 24.527 28.727 37.543 1.00 10.00 C ATOM 316 CD GLU A 22 25.551 29.851 37.538 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.521 29.803 38.300 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.405 30.815 36.786 1.00 10.00 O ATOM 0 H GLU A 22 25.821 25.028 36.698 1.00 10.00 H new ATOM 0 HA GLU A 22 24.477 26.457 38.938 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.245 27.465 37.671 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.323 27.277 36.192 1.00 10.00 H new ATOM 0 HG2 GLU A 22 23.764 28.909 36.786 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.018 28.685 38.506 1.00 10.00 H new ATOM 325 N VAL A 23 23.033 25.972 35.884 1.00 10.00 N ATOM 326 CA VAL A 23 21.698 25.744 35.328 1.00 10.00 C ATOM 327 C VAL A 23 20.940 24.632 36.067 1.00 10.00 C ATOM 328 O VAL A 23 19.676 24.748 36.159 1.00 10.00 O ATOM 329 CB VAL A 23 21.898 25.341 33.839 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.095 23.891 33.447 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.750 25.763 32.910 1.00 10.00 C ATOM 0 H VAL A 23 23.799 26.031 35.213 1.00 10.00 H new ATOM 0 HA VAL A 23 21.100 26.649 35.433 1.00 10.00 H new ATOM 0 HB VAL A 23 22.840 25.876 33.721 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.216 23.820 32.366 1.00 10.00 H new ATOM 0 HG12 VAL A 23 22.985 23.499 33.939 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.225 23.310 33.754 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.970 25.443 31.891 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.822 25.298 33.244 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.642 26.847 32.935 1.00 10.00 H new ATOM 341 N VAL A 24 21.578 23.595 36.577 1.00 10.00 N ATOM 342 CA VAL A 24 20.789 22.440 37.127 1.00 10.00 C ATOM 343 C VAL A 24 20.488 22.605 38.629 1.00 10.00 C ATOM 344 O VAL A 24 19.463 22.130 39.143 1.00 10.00 O ATOM 345 CB VAL A 24 21.355 21.027 36.808 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.199 20.462 37.964 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.370 20.063 36.242 1.00 10.00 C ATOM 0 H VAL A 24 22.592 23.501 36.635 1.00 10.00 H new ATOM 0 HA VAL A 24 19.848 22.485 36.579 1.00 10.00 H new ATOM 0 HB VAL A 24 22.043 21.179 35.976 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.572 19.474 37.693 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.041 21.127 38.159 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.583 20.384 38.860 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.862 19.108 36.054 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.554 19.918 36.951 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.972 20.456 35.307 1.00 10.00 H new ATOM 357 N GLU A 25 21.329 23.373 39.342 1.00 10.00 N ATOM 358 CA GLU A 25 21.023 23.685 40.751 1.00 10.00 C ATOM 359 C GLU A 25 20.039 24.863 40.895 1.00 10.00 C ATOM 360 O GLU A 25 19.160 24.886 41.788 1.00 10.00 O ATOM 361 CB GLU A 25 22.319 23.855 41.583 1.00 10.00 C ATOM 362 CG GLU A 25 23.031 22.494 41.838 1.00 10.00 C ATOM 363 CD GLU A 25 22.270 21.671 42.926 1.00 10.00 C ATOM 364 OE1 GLU A 25 21.300 22.149 43.569 1.00 10.00 O ATOM 365 OE2 GLU A 25 22.750 20.578 43.264 1.00 10.00 O ATOM 0 H GLU A 25 22.195 23.777 38.985 1.00 10.00 H new ATOM 0 HA GLU A 25 20.498 22.827 41.171 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.999 24.528 41.061 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.078 24.323 42.538 1.00 10.00 H new ATOM 0 HG2 GLU A 25 23.080 21.923 40.911 1.00 10.00 H new ATOM 0 HG3 GLU A 25 24.058 22.669 42.159 1.00 10.00 H new ATOM 372 N GLU A 26 20.023 25.710 39.891 1.00 10.00 N ATOM 373 CA GLU A 26 19.084 26.794 39.914 1.00 10.00 C ATOM 374 C GLU A 26 17.772 26.333 39.353 1.00 10.00 C ATOM 375 O GLU A 26 16.748 27.055 39.400 1.00 10.00 O ATOM 376 CB GLU A 26 19.646 27.937 39.030 1.00 10.00 C ATOM 377 CG GLU A 26 20.966 28.632 39.559 1.00 10.00 C ATOM 378 CD GLU A 26 20.891 29.466 40.814 1.00 10.00 C ATOM 379 OE1 GLU A 26 20.548 28.984 41.923 1.00 10.00 O ATOM 380 OE2 GLU A 26 21.277 30.671 40.651 1.00 10.00 O ATOM 0 H GLU A 26 20.632 25.669 39.074 1.00 10.00 H new ATOM 0 HA GLU A 26 18.933 27.141 40.936 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.842 27.538 38.035 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.875 28.700 38.922 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.708 27.851 39.725 1.00 10.00 H new ATOM 0 HG3 GLU A 26 21.347 29.269 38.761 1.00 10.00 H new ATOM 387 N ALA A 27 17.758 25.228 38.582 1.00 10.00 N ATOM 388 CA ALA A 27 16.482 24.581 38.265 1.00 10.00 C ATOM 389 C ALA A 27 15.693 23.968 39.479 1.00 10.00 C ATOM 390 O ALA A 27 14.456 23.956 39.437 1.00 10.00 O ATOM 391 CB ALA A 27 16.698 23.652 37.031 1.00 10.00 C ATOM 0 H ALA A 27 18.585 24.783 38.183 1.00 10.00 H new ATOM 0 HA ALA A 27 15.763 25.351 37.986 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.759 23.160 36.778 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.036 24.247 36.183 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.450 22.899 37.269 1.00 10.00 H new ATOM 397 N GLU A 28 16.470 23.480 40.489 1.00 10.00 N ATOM 398 CA GLU A 28 15.951 23.045 41.831 1.00 10.00 C ATOM 399 C GLU A 28 15.600 24.253 42.662 1.00 10.00 C ATOM 400 O GLU A 28 14.486 24.317 43.135 1.00 10.00 O ATOM 401 CB GLU A 28 16.999 22.096 42.512 1.00 10.00 C ATOM 402 CG GLU A 28 16.258 21.092 43.429 1.00 10.00 C ATOM 403 CD GLU A 28 17.278 20.351 44.236 1.00 10.00 C ATOM 404 OE1 GLU A 28 18.336 20.016 43.583 1.00 10.00 O ATOM 405 OE2 GLU A 28 17.080 20.092 45.412 1.00 10.00 O ATOM 0 H GLU A 28 17.481 23.375 40.399 1.00 10.00 H new ATOM 0 HA GLU A 28 15.030 22.472 41.722 1.00 10.00 H new ATOM 0 HB2 GLU A 28 17.570 21.561 41.753 1.00 10.00 H new ATOM 0 HB3 GLU A 28 17.712 22.680 43.094 1.00 10.00 H new ATOM 0 HG2 GLU A 28 15.564 21.618 44.085 1.00 10.00 H new ATOM 0 HG3 GLU A 28 15.668 20.397 42.832 1.00 10.00 H new ATOM 412 N ASN A 29 16.456 25.254 42.794 1.00 10.00 N ATOM 413 CA ASN A 29 16.347 26.429 43.648 1.00 10.00 C ATOM 414 C ASN A 29 15.210 27.337 43.341 1.00 10.00 C ATOM 415 O ASN A 29 14.325 27.395 44.203 1.00 10.00 O ATOM 416 CB ASN A 29 17.714 27.190 43.552 1.00 10.00 C ATOM 417 CG ASN A 29 17.850 28.544 44.372 1.00 10.00 C ATOM 418 OD1 ASN A 29 17.149 28.774 45.331 1.00 10.00 O ATOM 419 ND2 ASN A 29 18.877 29.325 44.179 1.00 10.00 N ATOM 420 OXT ASN A 29 15.152 27.917 42.222 1.00 10.00 O ATOM 0 H ASN A 29 17.324 25.267 42.258 1.00 10.00 H new ATOM 0 HA ASN A 29 16.131 26.086 44.660 1.00 10.00 H new ATOM 0 HB2 ASN A 29 18.501 26.513 43.884 1.00 10.00 H new ATOM 0 HB3 ASN A 29 17.905 27.410 42.502 1.00 10.00 H new ATOM 0 HD21 ASN A 29 19.062 30.093 44.824 1.00 10.00 H new ATOM 0 HD22 ASN A 29 19.495 29.168 43.383 1.00 10.00 H new TER 427 ASN A 29