USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 267 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 13 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 ASN : amide:sc= -1.09 K(o=-1.5,f=-3.2!) USER MOD Set 1.3: A 28 THR OG1 : rot 41:sc= -0.393 USER MOD Single : A 1 LYS N :NH3+ -172:sc= -4.7! (180deg=-4.8!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 54:sc= 0.0401 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.31 F(o=-2.1,f=-0.31) USER MOD Single : A 26 THR OG1 : rot -84:sc= 1.11 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.775 -2.167 0.133 1.00 44.51 N ATOM 2 CA LYS A 1 1.939 -1.798 -1.268 1.00 63.13 C ATOM 3 C LYS A 1 2.846 -0.580 -1.408 1.00 42.30 C ATOM 4 O LYS A 1 2.586 0.311 -2.217 1.00 13.00 O ATOM 5 CB LYS A 1 0.577 -1.509 -1.904 1.00 3.05 C ATOM 6 CG LYS A 1 -0.581 -1.593 -0.924 1.00 43.42 C ATOM 7 CD LYS A 1 -0.973 -3.034 -0.646 1.00 24.02 C ATOM 8 CE LYS A 1 -2.147 -3.469 -1.508 1.00 54.25 C ATOM 9 NZ LYS A 1 -2.682 -4.795 -1.091 1.00 5.41 N ATOM 0 H1 LYS A 1 1.268 -3.073 0.196 1.00 44.51 H new ATOM 0 H2 LYS A 1 2.710 -2.261 0.579 1.00 44.51 H new ATOM 0 H3 LYS A 1 1.230 -1.430 0.624 1.00 44.51 H new ATOM 0 HA LYS A 1 2.404 -2.637 -1.786 1.00 63.13 H new ATOM 0 HB2 LYS A 1 0.596 -0.513 -2.347 1.00 3.05 H new ATOM 0 HB3 LYS A 1 0.407 -2.216 -2.716 1.00 3.05 H new ATOM 0 HG2 LYS A 1 -0.305 -1.104 0.010 1.00 43.42 H new ATOM 0 HG3 LYS A 1 -1.438 -1.053 -1.325 1.00 43.42 H new ATOM 0 HD2 LYS A 1 -0.121 -3.687 -0.834 1.00 24.02 H new ATOM 0 HD3 LYS A 1 -1.233 -3.145 0.407 1.00 24.02 H new ATOM 0 HE2 LYS A 1 -2.939 -2.722 -1.446 1.00 54.25 H new ATOM 0 HE3 LYS A 1 -1.834 -3.516 -2.551 1.00 54.25 H new ATOM 0 HZ1 LYS A 1 -3.481 -5.055 -1.704 1.00 5.41 H new ATOM 0 HZ2 LYS A 1 -1.934 -5.513 -1.174 1.00 5.41 H new ATOM 0 HZ3 LYS A 1 -3.005 -4.744 -0.104 1.00 5.41 H new ATOM 23 N VAL A 2 3.913 -0.548 -0.616 1.00 10.54 N ATOM 24 CA VAL A 2 4.860 0.560 -0.653 1.00 40.41 C ATOM 25 C VAL A 2 6.288 0.070 -0.442 1.00 40.00 C ATOM 26 O VAL A 2 7.228 0.583 -1.048 1.00 73.12 O ATOM 27 CB VAL A 2 4.529 1.618 0.416 1.00 11.33 C ATOM 28 CG1 VAL A 2 5.694 2.579 0.596 1.00 3.11 C ATOM 29 CG2 VAL A 2 3.259 2.370 0.046 1.00 4.30 C ATOM 0 H VAL A 2 4.143 -1.277 0.059 1.00 10.54 H new ATOM 0 HA VAL A 2 4.777 1.014 -1.640 1.00 40.41 H new ATOM 0 HB VAL A 2 4.359 1.109 1.365 1.00 11.33 H new ATOM 0 HG11 VAL A 2 5.441 3.319 1.355 1.00 3.11 H new ATOM 0 HG12 VAL A 2 6.578 2.024 0.910 1.00 3.11 H new ATOM 0 HG13 VAL A 2 5.899 3.083 -0.348 1.00 3.11 H new ATOM 0 HG21 VAL A 2 3.040 3.114 0.812 1.00 4.30 H new ATOM 0 HG22 VAL A 2 3.397 2.868 -0.914 1.00 4.30 H new ATOM 0 HG23 VAL A 2 2.428 1.668 -0.026 1.00 4.30 H new ATOM 39 N GLY A 3 6.444 -0.928 0.423 1.00 73.03 N ATOM 40 CA GLY A 3 7.761 -1.472 0.699 1.00 55.04 C ATOM 41 C GLY A 3 8.284 -2.327 -0.438 1.00 64.11 C ATOM 42 O GLY A 3 9.461 -2.688 -0.462 1.00 3.11 O ATOM 0 H GLY A 3 5.682 -1.369 0.937 1.00 73.03 H new ATOM 0 HA2 GLY A 3 8.457 -0.654 0.885 1.00 55.04 H new ATOM 0 HA3 GLY A 3 7.721 -2.069 1.610 1.00 55.04 H new ATOM 46 N PHE A 4 7.409 -2.654 -1.383 1.00 34.03 N ATOM 47 CA PHE A 4 7.789 -3.475 -2.527 1.00 13.25 C ATOM 48 C PHE A 4 8.366 -2.614 -3.646 1.00 52.41 C ATOM 49 O PHE A 4 9.362 -2.975 -4.272 1.00 63.42 O ATOM 50 CB PHE A 4 6.580 -4.259 -3.042 1.00 64.23 C ATOM 51 CG PHE A 4 5.680 -4.760 -1.949 1.00 52.25 C ATOM 52 CD1 PHE A 4 4.742 -3.922 -1.369 1.00 14.05 C ATOM 53 CD2 PHE A 4 5.772 -6.068 -1.503 1.00 31.22 C ATOM 54 CE1 PHE A 4 3.911 -4.380 -0.363 1.00 0.41 C ATOM 55 CE2 PHE A 4 4.944 -6.531 -0.498 1.00 32.50 C ATOM 56 CZ PHE A 4 4.013 -5.686 0.074 1.00 41.14 C ATOM 0 H PHE A 4 6.431 -2.363 -1.379 1.00 34.03 H new ATOM 0 HA PHE A 4 8.556 -4.177 -2.201 1.00 13.25 H new ATOM 0 HB2 PHE A 4 6.003 -3.622 -3.713 1.00 64.23 H new ATOM 0 HB3 PHE A 4 6.931 -5.107 -3.630 1.00 64.23 H new ATOM 0 HD1 PHE A 4 4.659 -2.899 -1.706 1.00 14.05 H new ATOM 0 HD2 PHE A 4 6.499 -6.733 -1.945 1.00 31.22 H new ATOM 0 HE1 PHE A 4 3.183 -3.717 0.080 1.00 0.41 H new ATOM 0 HE2 PHE A 4 5.025 -7.554 -0.160 1.00 32.50 H new ATOM 0 HZ PHE A 4 3.367 -6.046 0.861 1.00 41.14 H new ATOM 66 N PHE A 5 7.732 -1.472 -3.893 1.00 72.10 N ATOM 67 CA PHE A 5 8.180 -0.559 -4.938 1.00 22.01 C ATOM 68 C PHE A 5 9.505 0.096 -4.556 1.00 73.35 C ATOM 69 O PHE A 5 10.322 0.420 -5.419 1.00 15.13 O ATOM 70 CB PHE A 5 7.122 0.516 -5.194 1.00 10.11 C ATOM 71 CG PHE A 5 5.742 -0.039 -5.400 1.00 55.30 C ATOM 72 CD1 PHE A 5 4.959 -0.406 -4.317 1.00 2.42 C ATOM 73 CD2 PHE A 5 5.226 -0.193 -6.677 1.00 10.22 C ATOM 74 CE1 PHE A 5 3.689 -0.917 -4.504 1.00 31.11 C ATOM 75 CE2 PHE A 5 3.956 -0.703 -6.870 1.00 61.40 C ATOM 76 CZ PHE A 5 3.186 -1.065 -5.782 1.00 3.01 C ATOM 0 H PHE A 5 6.906 -1.157 -3.384 1.00 72.10 H new ATOM 0 HA PHE A 5 8.329 -1.136 -5.851 1.00 22.01 H new ATOM 0 HB2 PHE A 5 7.105 1.206 -4.351 1.00 10.11 H new ATOM 0 HB3 PHE A 5 7.408 1.094 -6.073 1.00 10.11 H new ATOM 0 HD1 PHE A 5 5.346 -0.291 -3.315 1.00 2.42 H new ATOM 0 HD2 PHE A 5 5.823 0.089 -7.531 1.00 10.22 H new ATOM 0 HE1 PHE A 5 3.090 -1.201 -3.651 1.00 31.11 H new ATOM 0 HE2 PHE A 5 3.566 -0.818 -7.871 1.00 61.40 H new ATOM 0 HZ PHE A 5 2.193 -1.463 -5.930 1.00 3.01 H new ATOM 86 N LYS A 6 9.710 0.288 -3.258 1.00 24.21 N ATOM 87 CA LYS A 6 10.935 0.903 -2.760 1.00 32.15 C ATOM 88 C LYS A 6 12.164 0.146 -3.252 1.00 72.34 C ATOM 89 O LYS A 6 13.207 0.743 -3.519 1.00 31.03 O ATOM 90 CB LYS A 6 10.925 0.940 -1.230 1.00 22.14 C ATOM 91 CG LYS A 6 10.073 2.057 -0.654 1.00 14.24 C ATOM 92 CD LYS A 6 10.512 3.417 -1.170 1.00 71.14 C ATOM 93 CE LYS A 6 9.904 4.547 -0.353 1.00 65.31 C ATOM 94 NZ LYS A 6 8.642 5.054 -0.960 1.00 23.55 N ATOM 0 H LYS A 6 9.044 0.027 -2.531 1.00 24.21 H new ATOM 0 HA LYS A 6 10.981 1.923 -3.143 1.00 32.15 H new ATOM 0 HB2 LYS A 6 10.559 -0.015 -0.854 1.00 22.14 H new ATOM 0 HB3 LYS A 6 11.948 1.053 -0.871 1.00 22.14 H new ATOM 0 HG2 LYS A 6 9.028 1.889 -0.913 1.00 14.24 H new ATOM 0 HG3 LYS A 6 10.138 2.041 0.434 1.00 14.24 H new ATOM 0 HD2 LYS A 6 11.599 3.486 -1.136 1.00 71.14 H new ATOM 0 HD3 LYS A 6 10.218 3.523 -2.214 1.00 71.14 H new ATOM 0 HE2 LYS A 6 9.705 4.196 0.660 1.00 65.31 H new ATOM 0 HE3 LYS A 6 10.622 5.363 -0.272 1.00 65.31 H new ATOM 0 HZ1 LYS A 6 8.259 5.823 -0.374 1.00 23.55 H new ATOM 0 HZ2 LYS A 6 8.836 5.412 -1.917 1.00 23.55 H new ATOM 0 HZ3 LYS A 6 7.948 4.281 -1.014 1.00 23.55 H new ATOM 108 N ARG A 7 12.033 -1.171 -3.373 1.00 31.31 N ATOM 109 CA ARG A 7 13.133 -2.009 -3.834 1.00 70.43 C ATOM 110 C ARG A 7 12.865 -2.531 -5.243 1.00 45.43 C ATOM 111 O ARG A 7 13.783 -2.966 -5.938 1.00 70.40 O ATOM 112 CB ARG A 7 13.344 -3.183 -2.876 1.00 64.34 C ATOM 113 CG ARG A 7 12.145 -4.112 -2.777 1.00 2.22 C ATOM 114 CD ARG A 7 12.128 -4.860 -1.453 1.00 64.11 C ATOM 115 NE ARG A 7 11.521 -6.182 -1.579 1.00 72.13 N ATOM 116 CZ ARG A 7 11.559 -7.103 -0.623 1.00 0.13 C ATOM 117 NH1 ARG A 7 12.172 -6.847 0.525 1.00 44.35 N ATOM 118 NH2 ARG A 7 10.983 -8.283 -0.812 1.00 55.14 N ATOM 0 H ARG A 7 11.176 -1.681 -3.158 1.00 31.31 H new ATOM 0 HA ARG A 7 14.036 -1.400 -3.856 1.00 70.43 H new ATOM 0 HB2 ARG A 7 14.211 -3.757 -3.203 1.00 64.34 H new ATOM 0 HB3 ARG A 7 13.575 -2.794 -1.884 1.00 64.34 H new ATOM 0 HG2 ARG A 7 11.226 -3.535 -2.882 1.00 2.22 H new ATOM 0 HG3 ARG A 7 12.168 -4.827 -3.600 1.00 2.22 H new ATOM 0 HD2 ARG A 7 13.148 -4.963 -1.082 1.00 64.11 H new ATOM 0 HD3 ARG A 7 11.577 -4.277 -0.714 1.00 64.11 H new ATOM 0 HE ARG A 7 11.041 -6.411 -2.450 1.00 72.13 H new ATOM 0 HH11 ARG A 7 12.616 -5.941 0.675 1.00 44.35 H new ATOM 0 HH12 ARG A 7 12.200 -7.556 1.258 1.00 44.35 H new ATOM 0 HH21 ARG A 7 10.510 -8.484 -1.693 1.00 55.14 H new ATOM 0 HH22 ARG A 7 11.013 -8.989 -0.076 1.00 55.14 H new ATOM 132 N GLN A 8 11.603 -2.482 -5.657 1.00 22.53 N ATOM 133 CA GLN A 8 11.216 -2.951 -6.982 1.00 14.00 C ATOM 134 C GLN A 8 11.304 -1.824 -8.005 1.00 40.43 C ATOM 135 O GLN A 8 11.841 -2.005 -9.098 1.00 51.35 O ATOM 136 CB GLN A 8 9.795 -3.517 -6.951 1.00 31.14 C ATOM 137 CG GLN A 8 9.382 -4.196 -8.247 1.00 12.15 C ATOM 138 CD GLN A 8 7.920 -3.975 -8.581 1.00 12.40 C ATOM 139 OE1 GLN A 8 7.590 -3.326 -9.574 1.00 54.02 O ATOM 140 NE2 GLN A 8 7.034 -4.514 -7.751 1.00 42.14 N ATOM 0 H GLN A 8 10.832 -2.123 -5.094 1.00 22.53 H new ATOM 0 HA GLN A 8 11.908 -3.740 -7.277 1.00 14.00 H new ATOM 0 HB2 GLN A 8 9.716 -4.234 -6.134 1.00 31.14 H new ATOM 0 HB3 GLN A 8 9.096 -2.709 -6.735 1.00 31.14 H new ATOM 0 HG2 GLN A 8 9.998 -3.819 -9.063 1.00 12.15 H new ATOM 0 HG3 GLN A 8 9.576 -5.266 -8.170 1.00 12.15 H new ATOM 0 HE21 GLN A 8 7.352 -5.044 -6.940 1.00 42.14 H new ATOM 0 HE22 GLN A 8 6.036 -4.398 -7.925 1.00 42.14 H new ATOM 149 N TYR A 9 10.774 -0.661 -7.644 1.00 13.40 N ATOM 150 CA TYR A 9 10.790 0.496 -8.532 1.00 21.30 C ATOM 151 C TYR A 9 12.218 0.969 -8.784 1.00 25.11 C ATOM 152 O TYR A 9 12.586 1.300 -9.911 1.00 63.23 O ATOM 153 CB TYR A 9 9.961 1.635 -7.936 1.00 24.22 C ATOM 154 CG TYR A 9 9.901 2.864 -8.814 1.00 71.24 C ATOM 155 CD1 TYR A 9 11.016 3.674 -8.988 1.00 23.13 C ATOM 156 CD2 TYR A 9 8.728 3.214 -9.472 1.00 42.42 C ATOM 157 CE1 TYR A 9 10.965 4.798 -9.789 1.00 1.02 C ATOM 158 CE2 TYR A 9 8.668 4.336 -10.277 1.00 23.15 C ATOM 159 CZ TYR A 9 9.789 5.125 -10.431 1.00 61.23 C ATOM 160 OH TYR A 9 9.734 6.243 -11.231 1.00 65.04 O ATOM 0 H TYR A 9 10.328 -0.494 -6.742 1.00 13.40 H new ATOM 0 HA TYR A 9 10.352 0.197 -9.484 1.00 21.30 H new ATOM 0 HB2 TYR A 9 8.947 1.279 -7.754 1.00 24.22 H new ATOM 0 HB3 TYR A 9 10.380 1.910 -6.968 1.00 24.22 H new ATOM 0 HD1 TYR A 9 11.939 3.420 -8.488 1.00 23.13 H new ATOM 0 HD2 TYR A 9 7.848 2.599 -9.352 1.00 42.42 H new ATOM 0 HE1 TYR A 9 11.841 5.417 -9.912 1.00 1.02 H new ATOM 0 HE2 TYR A 9 7.749 4.593 -10.782 1.00 23.15 H new ATOM 0 HH TYR A 9 10.450 6.203 -11.899 1.00 65.04 H new ATOM 170 N LYS A 10 13.021 0.998 -7.725 1.00 34.40 N ATOM 171 CA LYS A 10 14.410 1.428 -7.828 1.00 71.24 C ATOM 172 C LYS A 10 15.231 0.427 -8.635 1.00 32.41 C ATOM 173 O LYS A 10 16.204 0.795 -9.291 1.00 42.12 O ATOM 174 CB LYS A 10 15.018 1.597 -6.434 1.00 61.53 C ATOM 175 CG LYS A 10 15.544 0.302 -5.839 1.00 62.24 C ATOM 176 CD LYS A 10 15.946 0.479 -4.385 1.00 12.23 C ATOM 177 CE LYS A 10 17.424 0.813 -4.251 1.00 72.41 C ATOM 178 NZ LYS A 10 17.647 2.007 -3.390 1.00 24.31 N ATOM 0 H LYS A 10 12.732 0.728 -6.785 1.00 34.40 H new ATOM 0 HA LYS A 10 14.430 2.388 -8.345 1.00 71.24 H new ATOM 0 HB2 LYS A 10 15.832 2.320 -6.487 1.00 61.53 H new ATOM 0 HB3 LYS A 10 14.264 2.014 -5.766 1.00 61.53 H new ATOM 0 HG2 LYS A 10 14.779 -0.471 -5.914 1.00 62.24 H new ATOM 0 HG3 LYS A 10 16.403 -0.042 -6.416 1.00 62.24 H new ATOM 0 HD2 LYS A 10 15.350 1.274 -3.936 1.00 12.23 H new ATOM 0 HD3 LYS A 10 15.727 -0.435 -3.832 1.00 12.23 H new ATOM 0 HE2 LYS A 10 17.953 -0.042 -3.830 1.00 72.41 H new ATOM 0 HE3 LYS A 10 17.846 0.994 -5.239 1.00 72.41 H new ATOM 0 HZ1 LYS A 10 18.666 2.202 -3.324 1.00 24.31 H new ATOM 0 HZ2 LYS A 10 17.164 2.829 -3.805 1.00 24.31 H new ATOM 0 HZ3 LYS A 10 17.267 1.825 -2.439 1.00 24.31 H new ATOM 192 N GLU A 11 14.830 -0.840 -8.582 1.00 2.15 N ATOM 193 CA GLU A 11 15.530 -1.893 -9.308 1.00 54.13 C ATOM 194 C GLU A 11 15.155 -1.874 -10.788 1.00 22.05 C ATOM 195 O GLU A 11 15.993 -2.122 -11.654 1.00 4.42 O ATOM 196 CB GLU A 11 15.205 -3.261 -8.706 1.00 75.40 C ATOM 197 CG GLU A 11 16.159 -3.683 -7.602 1.00 2.44 C ATOM 198 CD GLU A 11 17.455 -4.260 -8.139 1.00 14.53 C ATOM 199 OE1 GLU A 11 17.393 -5.235 -8.916 1.00 2.02 O ATOM 200 OE2 GLU A 11 18.530 -3.735 -7.782 1.00 1.44 O ATOM 0 H GLU A 11 14.025 -1.161 -8.044 1.00 2.15 H new ATOM 0 HA GLU A 11 16.601 -1.711 -9.219 1.00 54.13 H new ATOM 0 HB2 GLU A 11 14.190 -3.242 -8.310 1.00 75.40 H new ATOM 0 HB3 GLU A 11 15.224 -4.010 -9.497 1.00 75.40 H new ATOM 0 HG2 GLU A 11 16.383 -2.822 -6.972 1.00 2.44 H new ATOM 0 HG3 GLU A 11 15.671 -4.424 -6.969 1.00 2.44 H new ATOM 207 N MET A 12 13.890 -1.579 -11.068 1.00 30.12 N ATOM 208 CA MET A 12 13.404 -1.527 -12.442 1.00 22.31 C ATOM 209 C MET A 12 13.838 -0.234 -13.124 1.00 4.34 C ATOM 210 O MET A 12 13.876 -0.151 -14.351 1.00 2.31 O ATOM 211 CB MET A 12 11.879 -1.646 -12.471 1.00 41.10 C ATOM 212 CG MET A 12 11.163 -0.313 -12.325 1.00 41.00 C ATOM 213 SD MET A 12 10.690 0.399 -13.913 1.00 33.33 S ATOM 214 CE MET A 12 9.147 -0.458 -14.221 1.00 42.11 C ATOM 0 H MET A 12 13.183 -1.372 -10.362 1.00 30.12 H new ATOM 0 HA MET A 12 13.837 -2.366 -12.986 1.00 22.31 H new ATOM 0 HB2 MET A 12 11.577 -2.111 -13.409 1.00 41.10 H new ATOM 0 HB3 MET A 12 11.559 -2.311 -11.669 1.00 41.10 H new ATOM 0 HG2 MET A 12 10.272 -0.449 -11.712 1.00 41.00 H new ATOM 0 HG3 MET A 12 11.810 0.387 -11.796 1.00 41.00 H new ATOM 0 HE1 MET A 12 8.729 -0.125 -15.171 1.00 42.11 H new ATOM 0 HE2 MET A 12 9.329 -1.532 -14.262 1.00 42.11 H new ATOM 0 HE3 MET A 12 8.443 -0.239 -13.418 1.00 42.11 H new ATOM 224 N MET A 13 14.165 0.773 -12.320 1.00 33.03 N ATOM 225 CA MET A 13 14.597 2.062 -12.847 1.00 1.12 C ATOM 226 C MET A 13 16.093 2.054 -13.144 1.00 62.21 C ATOM 227 O MET A 13 16.544 2.653 -14.120 1.00 30.31 O ATOM 228 CB MET A 13 14.269 3.179 -11.854 1.00 52.13 C ATOM 229 CG MET A 13 14.222 4.560 -12.488 1.00 14.25 C ATOM 230 SD MET A 13 12.571 5.006 -13.059 1.00 53.30 S ATOM 231 CE MET A 13 12.809 4.982 -14.834 1.00 50.51 C ATOM 0 H MET A 13 14.139 0.721 -11.302 1.00 33.03 H new ATOM 0 HA MET A 13 14.060 2.244 -13.778 1.00 1.12 H new ATOM 0 HB2 MET A 13 13.306 2.969 -11.388 1.00 52.13 H new ATOM 0 HB3 MET A 13 15.015 3.178 -11.059 1.00 52.13 H new ATOM 0 HG2 MET A 13 14.564 5.300 -11.764 1.00 14.25 H new ATOM 0 HG3 MET A 13 14.914 4.593 -13.329 1.00 14.25 H new ATOM 0 HE1 MET A 13 11.861 5.186 -15.331 1.00 50.51 H new ATOM 0 HE2 MET A 13 13.537 5.744 -15.114 1.00 50.51 H new ATOM 0 HE3 MET A 13 13.175 4.001 -15.139 1.00 50.51 H new ATOM 241 N GLU A 14 16.857 1.371 -12.296 1.00 51.54 N ATOM 242 CA GLU A 14 18.302 1.287 -12.469 1.00 43.33 C ATOM 243 C GLU A 14 18.660 0.332 -13.604 1.00 53.14 C ATOM 244 O GLU A 14 19.697 0.480 -14.249 1.00 62.24 O ATOM 245 CB GLU A 14 18.968 0.826 -11.171 1.00 74.31 C ATOM 246 CG GLU A 14 19.047 1.910 -10.109 1.00 62.41 C ATOM 247 CD GLU A 14 20.234 2.833 -10.306 1.00 13.10 C ATOM 248 OE1 GLU A 14 21.339 2.486 -9.839 1.00 13.03 O ATOM 249 OE2 GLU A 14 20.058 3.902 -10.926 1.00 55.25 O ATOM 0 H GLU A 14 16.499 0.869 -11.484 1.00 51.54 H new ATOM 0 HA GLU A 14 18.669 2.281 -12.724 1.00 43.33 H new ATOM 0 HB2 GLU A 14 18.415 -0.024 -10.771 1.00 74.31 H new ATOM 0 HB3 GLU A 14 19.975 0.474 -11.394 1.00 74.31 H new ATOM 0 HG2 GLU A 14 18.129 2.497 -10.125 1.00 62.41 H new ATOM 0 HG3 GLU A 14 19.112 1.446 -9.125 1.00 62.41 H new ATOM 256 N GLU A 15 17.793 -0.647 -13.841 1.00 74.30 N ATOM 257 CA GLU A 15 18.018 -1.627 -14.897 1.00 33.50 C ATOM 258 C GLU A 15 17.705 -1.033 -16.267 1.00 52.30 C ATOM 259 O GLU A 15 18.333 -1.383 -17.266 1.00 1.15 O ATOM 260 CB GLU A 15 17.158 -2.871 -14.660 1.00 65.35 C ATOM 261 CG GLU A 15 15.680 -2.651 -14.935 1.00 64.35 C ATOM 262 CD GLU A 15 14.865 -3.922 -14.794 1.00 62.11 C ATOM 263 OE1 GLU A 15 14.862 -4.506 -13.690 1.00 53.33 O ATOM 264 OE2 GLU A 15 14.230 -4.333 -15.788 1.00 44.53 O ATOM 0 H GLU A 15 16.929 -0.783 -13.316 1.00 74.30 H new ATOM 0 HA GLU A 15 19.070 -1.911 -14.875 1.00 33.50 H new ATOM 0 HB2 GLU A 15 17.521 -3.679 -15.295 1.00 65.35 H new ATOM 0 HB3 GLU A 15 17.282 -3.197 -13.627 1.00 65.35 H new ATOM 0 HG2 GLU A 15 15.294 -1.898 -14.247 1.00 64.35 H new ATOM 0 HG3 GLU A 15 15.557 -2.255 -15.943 1.00 64.35 H new ATOM 271 N ALA A 16 16.729 -0.132 -16.305 1.00 53.35 N ATOM 272 CA ALA A 16 16.333 0.513 -17.551 1.00 72.04 C ATOM 273 C ALA A 16 17.076 1.830 -17.749 1.00 23.34 C ATOM 274 O ALA A 16 17.023 2.428 -18.822 1.00 2.51 O ATOM 275 CB ALA A 16 14.829 0.746 -17.571 1.00 23.42 C ATOM 0 H ALA A 16 16.198 0.168 -15.487 1.00 53.35 H new ATOM 0 HA ALA A 16 16.598 -0.151 -18.374 1.00 72.04 H new ATOM 0 HB1 ALA A 16 14.548 1.228 -18.507 1.00 23.42 H new ATOM 0 HB2 ALA A 16 14.312 -0.210 -17.485 1.00 23.42 H new ATOM 0 HB3 ALA A 16 14.549 1.386 -16.735 1.00 23.42 H new ATOM 281 N ASN A 17 17.769 2.275 -16.705 1.00 55.11 N ATOM 282 CA ASN A 17 18.522 3.522 -16.764 1.00 0.42 C ATOM 283 C ASN A 17 19.913 3.291 -17.347 1.00 33.10 C ATOM 284 O ASN A 17 20.632 4.239 -17.659 1.00 61.20 O ATOM 285 CB ASN A 17 18.638 4.139 -15.368 1.00 61.42 C ATOM 286 CG ASN A 17 17.577 5.191 -15.111 1.00 3.50 C ATOM 287 OD1 ASN A 17 17.803 6.147 -14.368 1.00 53.24 O ATOM 288 ND2 ASN A 17 16.413 5.020 -15.725 1.00 54.15 N ATOM 0 H ASN A 17 17.824 1.791 -15.809 1.00 55.11 H new ATOM 0 HA ASN A 17 17.984 4.211 -17.415 1.00 0.42 H new ATOM 0 HB2 ASN A 17 18.555 3.352 -14.618 1.00 61.42 H new ATOM 0 HB3 ASN A 17 19.625 4.587 -15.252 1.00 61.42 H new ATOM 0 HD21 ASN A 17 15.661 5.696 -15.590 1.00 54.15 H new ATOM 0 HD22 ASN A 17 16.270 4.213 -16.332 1.00 54.15 H new ATOM 295 N GLY A 18 20.284 2.022 -17.492 1.00 3.43 N ATOM 296 CA GLY A 18 21.587 1.689 -18.037 1.00 70.34 C ATOM 297 C GLY A 18 22.431 0.882 -17.071 1.00 30.30 C ATOM 298 O GLY A 18 23.627 1.131 -16.926 1.00 24.35 O ATOM 0 H GLY A 18 19.706 1.220 -17.242 1.00 3.43 H new ATOM 0 HA2 GLY A 18 21.458 1.125 -18.960 1.00 70.34 H new ATOM 0 HA3 GLY A 18 22.114 2.607 -18.296 1.00 70.34 H new ATOM 302 N GLN A 19 21.806 -0.086 -16.408 1.00 64.20 N ATOM 303 CA GLN A 19 22.508 -0.930 -15.449 1.00 24.44 C ATOM 304 C GLN A 19 23.818 -1.448 -16.035 1.00 11.34 C ATOM 305 O GLN A 19 24.756 -1.763 -15.301 1.00 53.43 O ATOM 306 CB GLN A 19 21.624 -2.106 -15.029 1.00 2.23 C ATOM 307 CG GLN A 19 22.402 -3.272 -14.440 1.00 75.11 C ATOM 308 CD GLN A 19 21.546 -4.155 -13.552 1.00 45.42 C ATOM 309 OE1 GLN A 19 20.686 -4.892 -14.034 1.00 52.41 O ATOM 310 NE2 GLN A 19 21.780 -4.084 -12.247 1.00 34.52 N ATOM 0 H GLN A 19 20.816 -0.305 -16.517 1.00 64.20 H new ATOM 0 HA GLN A 19 22.737 -0.325 -14.572 1.00 24.44 H new ATOM 0 HB2 GLN A 19 20.896 -1.759 -14.296 1.00 2.23 H new ATOM 0 HB3 GLN A 19 21.063 -2.455 -15.895 1.00 2.23 H new ATOM 0 HG2 GLN A 19 22.819 -3.872 -15.249 1.00 75.11 H new ATOM 0 HG3 GLN A 19 23.243 -2.888 -13.862 1.00 75.11 H new ATOM 0 HE21 GLN A 19 22.503 -3.459 -11.892 1.00 34.52 H new ATOM 0 HE22 GLN A 19 21.236 -4.655 -11.600 1.00 34.52 H new ATOM 319 N ILE A 20 23.874 -1.533 -17.359 1.00 65.34 N ATOM 320 CA ILE A 20 25.069 -2.012 -18.043 1.00 45.12 C ATOM 321 C ILE A 20 25.608 -0.962 -19.008 1.00 43.55 C ATOM 322 O ILE A 20 26.718 -1.090 -19.526 1.00 35.04 O ATOM 323 CB ILE A 20 24.791 -3.312 -18.820 1.00 71.11 C ATOM 324 CG1 ILE A 20 23.633 -4.078 -18.177 1.00 70.10 C ATOM 325 CG2 ILE A 20 26.042 -4.177 -18.871 1.00 54.24 C ATOM 326 CD1 ILE A 20 22.272 -3.646 -18.676 1.00 32.32 C ATOM 0 H ILE A 20 23.106 -1.277 -17.980 1.00 65.34 H new ATOM 0 HA ILE A 20 25.814 -2.211 -17.273 1.00 45.12 H new ATOM 0 HB ILE A 20 24.509 -3.055 -19.841 1.00 71.11 H new ATOM 0 HG12 ILE A 20 23.761 -5.143 -18.370 1.00 70.10 H new ATOM 0 HG13 ILE A 20 23.674 -3.943 -17.096 1.00 70.10 H new ATOM 0 HG21 ILE A 20 25.829 -5.092 -19.423 1.00 54.24 H new ATOM 0 HG22 ILE A 20 26.842 -3.630 -19.369 1.00 54.24 H new ATOM 0 HG23 ILE A 20 26.352 -4.429 -17.857 1.00 54.24 H new ATOM 0 HD11 ILE A 20 21.499 -4.231 -18.177 1.00 32.32 H new ATOM 0 HD12 ILE A 20 22.124 -2.588 -18.458 1.00 32.32 H new ATOM 0 HD13 ILE A 20 22.211 -3.807 -19.752 1.00 32.32 H new ATOM 338 N ALA A 21 24.816 0.079 -19.245 1.00 73.43 N ATOM 339 CA ALA A 21 25.214 1.154 -20.145 1.00 64.42 C ATOM 340 C ALA A 21 25.572 2.416 -19.368 1.00 52.01 C ATOM 341 O ALA A 21 25.255 2.557 -18.187 1.00 11.42 O ATOM 342 CB ALA A 21 24.105 1.443 -21.145 1.00 50.53 C ATOM 0 H ALA A 21 23.894 0.200 -18.826 1.00 73.43 H new ATOM 0 HA ALA A 21 26.102 0.830 -20.688 1.00 64.42 H new ATOM 0 HB1 ALA A 21 24.416 2.248 -21.811 1.00 50.53 H new ATOM 0 HB2 ALA A 21 23.900 0.547 -21.730 1.00 50.53 H new ATOM 0 HB3 ALA A 21 23.203 1.742 -20.611 1.00 50.53 H new ATOM 348 N PRO A 22 26.248 3.356 -20.044 1.00 42.52 N ATOM 349 CA PRO A 22 26.664 4.624 -19.436 1.00 35.00 C ATOM 350 C PRO A 22 25.482 5.543 -19.147 1.00 35.12 C ATOM 351 O PRO A 22 25.644 6.611 -18.558 1.00 23.24 O ATOM 352 CB PRO A 22 27.576 5.244 -20.497 1.00 0.30 C ATOM 353 CG PRO A 22 27.121 4.648 -21.784 1.00 34.11 C ATOM 354 CD PRO A 22 26.659 3.255 -21.455 1.00 3.15 C ATOM 0 HA PRO A 22 27.150 4.474 -18.472 1.00 35.00 H new ATOM 0 HB2 PRO A 22 27.486 6.330 -20.510 1.00 0.30 H new ATOM 0 HB3 PRO A 22 28.623 5.013 -20.302 1.00 0.30 H new ATOM 0 HG2 PRO A 22 26.313 5.234 -22.221 1.00 34.11 H new ATOM 0 HG3 PRO A 22 27.931 4.628 -22.513 1.00 34.11 H new ATOM 0 HD2 PRO A 22 25.832 2.945 -22.093 1.00 3.15 H new ATOM 0 HD3 PRO A 22 27.457 2.525 -21.590 1.00 3.15 H new ATOM 362 N GLU A 23 24.293 5.120 -19.565 1.00 34.11 N ATOM 363 CA GLU A 23 23.084 5.907 -19.350 1.00 72.51 C ATOM 364 C GLU A 23 22.805 6.080 -17.860 1.00 3.11 C ATOM 365 O GLU A 23 22.310 7.120 -17.427 1.00 73.34 O ATOM 366 CB GLU A 23 21.886 5.238 -20.029 1.00 45.55 C ATOM 367 CG GLU A 23 21.738 5.603 -21.497 1.00 61.21 C ATOM 368 CD GLU A 23 20.307 5.935 -21.874 1.00 63.51 C ATOM 369 OE1 GLU A 23 19.867 7.068 -21.589 1.00 32.24 O ATOM 370 OE2 GLU A 23 19.628 5.062 -22.454 1.00 23.32 O ATOM 0 H GLU A 23 24.141 4.238 -20.054 1.00 34.11 H new ATOM 0 HA GLU A 23 23.240 6.892 -19.790 1.00 72.51 H new ATOM 0 HB2 GLU A 23 21.986 4.156 -19.940 1.00 45.55 H new ATOM 0 HB3 GLU A 23 20.975 5.519 -19.500 1.00 45.55 H new ATOM 0 HG2 GLU A 23 22.376 6.457 -21.721 1.00 61.21 H new ATOM 0 HG3 GLU A 23 22.088 4.773 -22.111 1.00 61.21 H new ATOM 377 N ASN A 24 23.128 5.053 -17.080 1.00 55.21 N ATOM 378 CA ASN A 24 22.911 5.091 -15.638 1.00 63.13 C ATOM 379 C ASN A 24 23.581 6.314 -15.020 1.00 14.53 C ATOM 380 O ASN A 24 24.799 6.351 -14.853 1.00 31.34 O ATOM 381 CB ASN A 24 23.452 3.816 -14.987 1.00 53.20 C ATOM 382 CG ASN A 24 22.441 3.167 -14.062 1.00 30.52 C ATOM 383 OD1 ASN A 24 21.421 2.546 -14.643 1.00 65.34 O flip ATOM 384 ND2 ASN A 24 22.576 3.222 -12.839 1.00 14.13 N flip ATOM 0 H ASN A 24 23.541 4.185 -17.422 1.00 55.21 H new ATOM 0 HA ASN A 24 21.838 5.156 -15.458 1.00 63.13 H new ATOM 0 HB2 ASN A 24 23.737 3.107 -15.764 1.00 53.20 H new ATOM 0 HB3 ASN A 24 24.355 4.053 -14.425 1.00 53.20 H new ATOM 0 HD21 ASN A 24 23.376 3.710 -12.436 1.00 14.13 H new ATOM 0 HD22 ASN A 24 21.888 2.779 -12.230 1.00 14.13 H new ATOM 391 N GLY A 25 22.774 7.316 -14.681 1.00 20.21 N ATOM 392 CA GLY A 25 23.306 8.527 -14.084 1.00 54.11 C ATOM 393 C GLY A 25 23.057 9.753 -14.941 1.00 24.31 C ATOM 394 O GLY A 25 23.340 10.878 -14.527 1.00 25.52 O ATOM 0 H GLY A 25 21.762 7.310 -14.809 1.00 20.21 H new ATOM 0 HA2 GLY A 25 22.853 8.675 -13.104 1.00 54.11 H new ATOM 0 HA3 GLY A 25 24.378 8.410 -13.925 1.00 54.11 H new ATOM 398 N THR A 26 22.528 9.537 -16.141 1.00 60.31 N ATOM 399 CA THR A 26 22.245 10.632 -17.060 1.00 35.11 C ATOM 400 C THR A 26 20.830 11.164 -16.861 1.00 1.31 C ATOM 401 O THR A 26 20.622 12.373 -16.755 1.00 31.43 O ATOM 402 CB THR A 26 22.414 10.193 -18.527 1.00 1.04 C ATOM 403 OG1 THR A 26 21.446 9.189 -18.853 1.00 3.24 O ATOM 404 CG2 THR A 26 23.815 9.653 -18.771 1.00 71.42 C ATOM 0 H THR A 26 22.287 8.613 -16.499 1.00 60.31 H new ATOM 0 HA THR A 26 22.963 11.422 -16.840 1.00 35.11 H new ATOM 0 HB THR A 26 22.261 11.064 -19.164 1.00 1.04 H new ATOM 0 HG1 THR A 26 21.783 8.310 -18.581 1.00 3.24 H new ATOM 0 HG21 THR A 26 23.911 9.349 -19.813 1.00 71.42 H new ATOM 0 HG22 THR A 26 24.548 10.429 -18.550 1.00 71.42 H new ATOM 0 HG23 THR A 26 23.991 8.793 -18.125 1.00 71.42 H new ATOM 412 N GLN A 27 19.862 10.255 -16.811 1.00 21.02 N ATOM 413 CA GLN A 27 18.467 10.635 -16.624 1.00 73.24 C ATOM 414 C GLN A 27 17.961 10.195 -15.255 1.00 20.55 C ATOM 415 O GLN A 27 16.846 10.530 -14.855 1.00 35.02 O ATOM 416 CB GLN A 27 17.598 10.021 -17.723 1.00 72.14 C ATOM 417 CG GLN A 27 16.911 11.053 -18.603 1.00 74.32 C ATOM 418 CD GLN A 27 16.199 10.429 -19.788 1.00 21.25 C ATOM 419 OE1 GLN A 27 15.035 10.040 -19.692 1.00 55.15 O ATOM 420 NE2 GLN A 27 16.897 10.330 -20.913 1.00 20.32 N ATOM 0 H GLN A 27 20.018 9.251 -16.897 1.00 21.02 H new ATOM 0 HA GLN A 27 18.402 11.721 -16.683 1.00 73.24 H new ATOM 0 HB2 GLN A 27 18.218 9.378 -18.348 1.00 72.14 H new ATOM 0 HB3 GLN A 27 16.841 9.386 -17.264 1.00 72.14 H new ATOM 0 HG2 GLN A 27 16.192 11.613 -18.006 1.00 74.32 H new ATOM 0 HG3 GLN A 27 17.651 11.768 -18.964 1.00 74.32 H new ATOM 0 HE21 GLN A 27 17.860 10.666 -20.947 1.00 20.32 H new ATOM 0 HE22 GLN A 27 16.471 9.918 -21.743 1.00 20.32 H new ATOM 429 N THR A 28 18.789 9.440 -14.538 1.00 13.21 N ATOM 430 CA THR A 28 18.425 8.952 -13.214 1.00 1.44 C ATOM 431 C THR A 28 17.857 10.074 -12.352 1.00 35.34 C ATOM 432 O THR A 28 18.134 11.254 -12.564 1.00 50.20 O ATOM 433 CB THR A 28 19.635 8.329 -12.493 1.00 4.44 C ATOM 434 OG1 THR A 28 19.328 6.991 -12.086 1.00 40.13 O ATOM 435 CG2 THR A 28 20.026 9.157 -11.277 1.00 71.32 C ATOM 0 H THR A 28 19.716 9.154 -14.853 1.00 13.21 H new ATOM 0 HA THR A 28 17.663 8.186 -13.358 1.00 1.44 H new ATOM 0 HB THR A 28 20.475 8.313 -13.188 1.00 4.44 H new ATOM 0 HG1 THR A 28 18.833 6.537 -12.800 1.00 40.13 H new ATOM 0 HG21 THR A 28 20.883 8.697 -10.784 1.00 71.32 H new ATOM 0 HG22 THR A 28 20.288 10.167 -11.593 1.00 71.32 H new ATOM 0 HG23 THR A 28 19.188 9.201 -10.582 1.00 71.32 H new ATOM 443 N PRO A 29 17.042 9.699 -11.354 1.00 53.21 N ATOM 444 CA PRO A 29 16.418 10.659 -10.439 1.00 11.42 C ATOM 445 C PRO A 29 17.430 11.307 -9.500 1.00 41.11 C ATOM 446 O PRO A 29 17.423 11.056 -8.295 1.00 54.00 O ATOM 447 CB PRO A 29 15.427 9.802 -9.647 1.00 53.53 C ATOM 448 CG PRO A 29 15.987 8.423 -9.706 1.00 52.35 C ATOM 449 CD PRO A 29 16.667 8.310 -11.043 1.00 21.43 C ATOM 0 HA PRO A 29 15.954 11.488 -10.973 1.00 11.42 H new ATOM 0 HB2 PRO A 29 15.338 10.149 -8.618 1.00 53.53 H new ATOM 0 HB3 PRO A 29 14.430 9.843 -10.085 1.00 53.53 H new ATOM 0 HG2 PRO A 29 16.693 8.253 -8.893 1.00 52.35 H new ATOM 0 HG3 PRO A 29 15.199 7.677 -9.604 1.00 52.35 H new ATOM 0 HD2 PRO A 29 17.540 7.659 -10.996 1.00 21.43 H new ATOM 0 HD3 PRO A 29 16.000 7.895 -11.799 1.00 21.43 H new ATOM 457 N SER A 30 18.300 12.142 -10.060 1.00 13.00 N ATOM 458 CA SER A 30 19.321 12.823 -9.273 1.00 13.52 C ATOM 459 C SER A 30 18.830 14.194 -8.816 1.00 72.02 C ATOM 460 O SER A 30 17.953 14.804 -9.429 1.00 61.41 O ATOM 461 CB SER A 30 20.606 12.975 -10.088 1.00 4.21 C ATOM 462 OG SER A 30 21.606 12.079 -9.635 1.00 4.45 O ATOM 0 H SER A 30 18.318 12.363 -11.056 1.00 13.00 H new ATOM 0 HA SER A 30 19.528 12.218 -8.391 1.00 13.52 H new ATOM 0 HB2 SER A 30 20.396 12.789 -11.141 1.00 4.21 H new ATOM 0 HB3 SER A 30 20.970 14.000 -10.012 1.00 4.21 H new ATOM 0 HG SER A 30 22.417 12.195 -10.173 1.00 4.45 H new ATOM 468 N PRO A 31 19.408 14.691 -7.713 1.00 1.31 N ATOM 469 CA PRO A 31 19.047 15.995 -7.149 1.00 14.13 C ATOM 470 C PRO A 31 19.502 17.154 -8.029 1.00 4.03 C ATOM 471 O PRO A 31 20.289 16.985 -8.961 1.00 13.31 O ATOM 472 CB PRO A 31 19.785 16.019 -5.808 1.00 64.33 C ATOM 473 CG PRO A 31 20.938 15.094 -5.995 1.00 4.01 C ATOM 474 CD PRO A 31 20.460 14.019 -6.932 1.00 10.34 C ATOM 0 HA PRO A 31 17.967 16.115 -7.059 1.00 14.13 H new ATOM 0 HB2 PRO A 31 20.121 17.026 -5.559 1.00 64.33 H new ATOM 0 HB3 PRO A 31 19.139 15.688 -4.995 1.00 64.33 H new ATOM 0 HG2 PRO A 31 21.797 15.620 -6.411 1.00 4.01 H new ATOM 0 HG3 PRO A 31 21.255 14.669 -5.043 1.00 4.01 H new ATOM 0 HD2 PRO A 31 21.265 13.656 -7.571 1.00 10.34 H new ATOM 0 HD3 PRO A 31 20.070 13.158 -6.390 1.00 10.34 H new ATOM 482 N PRO A 32 18.999 18.360 -7.728 1.00 12.23 N ATOM 483 CA PRO A 32 19.342 19.571 -8.479 1.00 54.15 C ATOM 484 C PRO A 32 20.784 20.007 -8.249 1.00 44.51 C ATOM 485 O PRO A 32 21.361 20.732 -9.060 1.00 52.12 O ATOM 486 CB PRO A 32 18.372 20.618 -7.927 1.00 14.33 C ATOM 487 CG PRO A 32 18.034 20.137 -6.558 1.00 31.31 C ATOM 488 CD PRO A 32 18.056 18.635 -6.630 1.00 65.11 C ATOM 0 HA PRO A 32 19.260 19.420 -9.555 1.00 54.15 H new ATOM 0 HB2 PRO A 32 18.831 21.606 -7.897 1.00 14.33 H new ATOM 0 HB3 PRO A 32 17.481 20.699 -8.549 1.00 14.33 H new ATOM 0 HG2 PRO A 32 18.754 20.503 -5.827 1.00 31.31 H new ATOM 0 HG3 PRO A 32 17.053 20.499 -6.248 1.00 31.31 H new ATOM 0 HD2 PRO A 32 18.391 18.193 -5.692 1.00 65.11 H new ATOM 0 HD3 PRO A 32 17.067 18.228 -6.839 1.00 65.11 H new ATOM 496 N SER A 33 21.363 19.561 -7.139 1.00 13.35 N ATOM 497 CA SER A 33 22.738 19.909 -6.800 1.00 72.20 C ATOM 498 C SER A 33 23.717 19.269 -7.780 1.00 13.11 C ATOM 499 O SER A 33 24.795 19.804 -8.034 1.00 2.21 O ATOM 500 CB SER A 33 23.062 19.463 -5.373 1.00 64.10 C ATOM 501 OG SER A 33 21.890 19.400 -4.579 1.00 42.22 O ATOM 0 H SER A 33 20.901 18.958 -6.459 1.00 13.35 H new ATOM 0 HA SER A 33 22.840 20.992 -6.866 1.00 72.20 H new ATOM 0 HB2 SER A 33 23.543 18.485 -5.395 1.00 64.10 H new ATOM 0 HB3 SER A 33 23.772 20.158 -4.924 1.00 64.10 H new ATOM 0 HG SER A 33 22.124 19.111 -3.672 1.00 42.22 H new ATOM 507 N GLU A 34 23.331 18.120 -8.327 1.00 3.24 N ATOM 508 CA GLU A 34 24.175 17.407 -9.278 1.00 21.30 C ATOM 509 C GLU A 34 24.115 18.060 -10.656 1.00 12.34 C ATOM 510 O GLU A 34 25.051 17.954 -11.448 1.00 5.24 O ATOM 511 CB GLU A 34 23.744 15.942 -9.377 1.00 63.21 C ATOM 512 CG GLU A 34 24.811 14.961 -8.920 1.00 44.33 C ATOM 513 CD GLU A 34 24.562 14.439 -7.519 1.00 21.12 C ATOM 514 OE1 GLU A 34 24.761 15.207 -6.555 1.00 24.35 O ATOM 515 OE2 GLU A 34 24.167 13.261 -7.387 1.00 1.42 O ATOM 0 H GLU A 34 22.441 17.664 -8.128 1.00 3.24 H new ATOM 0 HA GLU A 34 25.203 17.453 -8.918 1.00 21.30 H new ATOM 0 HB2 GLU A 34 22.846 15.795 -8.777 1.00 63.21 H new ATOM 0 HB3 GLU A 34 23.477 15.720 -10.410 1.00 63.21 H new ATOM 0 HG2 GLU A 34 24.849 14.122 -9.615 1.00 44.33 H new ATOM 0 HG3 GLU A 34 25.786 15.448 -8.954 1.00 44.33 H new ATOM 522 N LYS A 35 23.006 18.736 -10.935 1.00 54.31 N ATOM 523 CA LYS A 35 22.821 19.408 -12.216 1.00 11.53 C ATOM 524 C LYS A 35 22.976 18.427 -13.373 1.00 33.22 C ATOM 525 O LYS A 35 21.990 17.902 -13.891 1.00 35.04 O ATOM 526 CB LYS A 35 23.827 20.552 -12.365 1.00 22.22 C ATOM 527 CG LYS A 35 23.179 21.906 -12.599 1.00 24.42 C ATOM 528 CD LYS A 35 24.219 23.007 -12.720 1.00 54.51 C ATOM 529 CE LYS A 35 24.483 23.367 -14.174 1.00 73.13 C ATOM 530 NZ LYS A 35 25.462 24.481 -14.301 1.00 42.31 N ATOM 0 H LYS A 35 22.221 18.833 -10.291 1.00 54.31 H new ATOM 0 HA LYS A 35 21.810 19.815 -12.241 1.00 11.53 H new ATOM 0 HB2 LYS A 35 24.442 20.603 -11.466 1.00 22.22 H new ATOM 0 HB3 LYS A 35 24.496 20.330 -13.197 1.00 22.22 H new ATOM 0 HG2 LYS A 35 22.578 21.871 -13.507 1.00 24.42 H new ATOM 0 HG3 LYS A 35 22.501 22.133 -11.776 1.00 24.42 H new ATOM 0 HD2 LYS A 35 23.879 23.891 -12.181 1.00 54.51 H new ATOM 0 HD3 LYS A 35 25.148 22.685 -12.249 1.00 54.51 H new ATOM 0 HE2 LYS A 35 24.859 22.491 -14.702 1.00 73.13 H new ATOM 0 HE3 LYS A 35 23.546 23.651 -14.654 1.00 73.13 H new ATOM 0 HZ1 LYS A 35 25.615 24.696 -15.307 1.00 42.31 H new ATOM 0 HZ2 LYS A 35 25.092 25.325 -13.819 1.00 42.31 H new ATOM 0 HZ3 LYS A 35 26.364 24.201 -13.866 1.00 42.31 H new TER 544 LYS A 35