USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 253 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00494 X(o=-0.0049,f=-0.0049) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0341 K(o=-0.034,f=-0.87) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0257) USER MOD Single : A 21 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 25 SER OG : rot 178:sc= 0.261 USER MOD Single : A 26 SER OG : rot 180:sc= 0.125 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.28) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0991) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00541) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.610 1.076 -2.092 1.00 62.02 N ATOM 2 CA GLY A 1 2.066 0.042 -1.232 1.00 74.31 C ATOM 3 C GLY A 1 2.531 -1.346 -1.628 1.00 14.31 C ATOM 4 O GLY A 1 2.559 -1.684 -2.810 1.00 64.12 O ATOM 0 H1 GLY A 1 2.263 2.005 -1.780 1.00 62.02 H new ATOM 0 H2 GLY A 1 3.649 1.060 -2.040 1.00 62.02 H new ATOM 0 H3 GLY A 1 2.309 0.905 -3.073 1.00 62.02 H new ATOM 0 HA2 GLY A 1 2.359 0.240 -0.201 1.00 74.31 H new ATOM 0 HA3 GLY A 1 0.977 0.081 -1.267 1.00 74.31 H new ATOM 8 N ASN A 2 2.897 -2.151 -0.636 1.00 4.42 N ATOM 9 CA ASN A 2 3.366 -3.509 -0.887 1.00 11.31 C ATOM 10 C ASN A 2 2.573 -4.519 -0.063 1.00 53.33 C ATOM 11 O ASN A 2 2.059 -4.195 1.008 1.00 71.04 O ATOM 12 CB ASN A 2 4.856 -3.625 -0.560 1.00 20.02 C ATOM 13 CG ASN A 2 5.238 -2.845 0.683 1.00 12.23 C ATOM 14 OD1 ASN A 2 5.075 -3.325 1.805 1.00 2.22 O ATOM 15 ND2 ASN A 2 5.748 -1.634 0.488 1.00 22.54 N ATOM 0 H ASN A 2 2.878 -1.887 0.349 1.00 4.42 H new ATOM 0 HA ASN A 2 3.215 -3.730 -1.944 1.00 11.31 H new ATOM 0 HB2 ASN A 2 5.114 -4.675 -0.420 1.00 20.02 H new ATOM 0 HB3 ASN A 2 5.440 -3.263 -1.406 1.00 20.02 H new ATOM 0 HD21 ASN A 2 6.022 -1.062 1.286 1.00 22.54 H new ATOM 0 HD22 ASN A 2 5.865 -1.277 -0.460 1.00 22.54 H new ATOM 22 N ASP A 3 2.478 -5.743 -0.570 1.00 40.13 N ATOM 23 CA ASP A 3 1.749 -6.802 0.119 1.00 41.54 C ATOM 24 C ASP A 3 2.211 -8.176 -0.355 1.00 20.22 C ATOM 25 O ASP A 3 1.928 -8.584 -1.482 1.00 32.24 O ATOM 26 CB ASP A 3 0.245 -6.648 -0.112 1.00 50.21 C ATOM 27 CG ASP A 3 -0.555 -7.770 0.519 1.00 72.42 C ATOM 28 OD1 ASP A 3 -0.005 -8.473 1.392 1.00 3.31 O ATOM 29 OD2 ASP A 3 -1.732 -7.947 0.139 1.00 62.25 O ATOM 0 H ASP A 3 2.897 -6.027 -1.456 1.00 40.13 H new ATOM 0 HA ASP A 3 1.955 -6.717 1.186 1.00 41.54 H new ATOM 0 HB2 ASP A 3 -0.087 -5.694 0.298 1.00 50.21 H new ATOM 0 HB3 ASP A 3 0.046 -6.621 -1.183 1.00 50.21 H new ATOM 34 N CYS A 4 2.925 -8.886 0.513 1.00 73.13 N ATOM 35 CA CYS A 4 3.428 -10.214 0.184 1.00 31.30 C ATOM 36 C CYS A 4 3.790 -10.987 1.449 1.00 63.00 C ATOM 37 O CYS A 4 3.688 -10.465 2.560 1.00 40.42 O ATOM 38 CB CYS A 4 4.651 -10.108 -0.730 1.00 15.45 C ATOM 39 SG CYS A 4 5.874 -8.869 -0.193 1.00 32.00 S ATOM 0 H CYS A 4 3.168 -8.563 1.450 1.00 73.13 H new ATOM 0 HA CYS A 4 2.639 -10.755 -0.338 1.00 31.30 H new ATOM 0 HB2 CYS A 4 5.136 -11.082 -0.784 1.00 15.45 H new ATOM 0 HB3 CYS A 4 4.318 -9.861 -1.738 1.00 15.45 H new ATOM 44 N LEU A 5 4.214 -12.234 1.273 1.00 41.42 N ATOM 45 CA LEU A 5 4.593 -13.080 2.399 1.00 14.55 C ATOM 46 C LEU A 5 6.081 -13.412 2.355 1.00 15.01 C ATOM 47 O LEU A 5 6.735 -13.239 1.328 1.00 23.21 O ATOM 48 CB LEU A 5 3.770 -14.369 2.393 1.00 32.13 C ATOM 49 CG LEU A 5 2.252 -14.196 2.337 1.00 35.31 C ATOM 50 CD1 LEU A 5 1.585 -15.482 1.873 1.00 32.14 C ATOM 51 CD2 LEU A 5 1.712 -13.774 3.696 1.00 42.32 C ATOM 0 H LEU A 5 4.304 -12.681 0.361 1.00 41.42 H new ATOM 0 HA LEU A 5 4.390 -12.531 3.319 1.00 14.55 H new ATOM 0 HB2 LEU A 5 4.079 -14.970 1.537 1.00 32.13 H new ATOM 0 HB3 LEU A 5 4.018 -14.939 3.289 1.00 32.13 H new ATOM 0 HG LEU A 5 2.022 -13.411 1.617 1.00 35.31 H new ATOM 0 HD11 LEU A 5 0.505 -15.340 1.839 1.00 32.14 H new ATOM 0 HD12 LEU A 5 1.948 -15.742 0.879 1.00 32.14 H new ATOM 0 HD13 LEU A 5 1.824 -16.287 2.568 1.00 32.14 H new ATOM 0 HD21 LEU A 5 0.630 -13.656 3.637 1.00 42.32 H new ATOM 0 HD22 LEU A 5 1.954 -14.537 4.436 1.00 42.32 H new ATOM 0 HD23 LEU A 5 2.165 -12.827 3.989 1.00 42.32 H new ATOM 63 N GLY A 6 6.608 -13.892 3.477 1.00 22.51 N ATOM 64 CA GLY A 6 8.015 -14.244 3.544 1.00 13.23 C ATOM 65 C GLY A 6 8.273 -15.682 3.141 1.00 31.02 C ATOM 66 O GLY A 6 7.525 -16.256 2.350 1.00 71.51 O ATOM 0 H GLY A 6 6.087 -14.043 4.340 1.00 22.51 H new ATOM 0 HA2 GLY A 6 8.584 -13.580 2.893 1.00 13.23 H new ATOM 0 HA3 GLY A 6 8.378 -14.084 4.559 1.00 13.23 H new ATOM 70 N PHE A 7 9.336 -16.266 3.685 1.00 12.51 N ATOM 71 CA PHE A 7 9.693 -17.645 3.375 1.00 33.14 C ATOM 72 C PHE A 7 8.949 -18.617 4.287 1.00 52.03 C ATOM 73 O PHE A 7 8.612 -18.284 5.423 1.00 75.32 O ATOM 74 CB PHE A 7 11.203 -17.848 3.519 1.00 75.14 C ATOM 75 CG PHE A 7 11.816 -18.608 2.378 1.00 60.14 C ATOM 76 CD1 PHE A 7 11.539 -19.953 2.196 1.00 63.54 C ATOM 77 CD2 PHE A 7 12.670 -17.977 1.487 1.00 20.23 C ATOM 78 CE1 PHE A 7 12.102 -20.656 1.146 1.00 11.24 C ATOM 79 CE2 PHE A 7 13.235 -18.674 0.436 1.00 22.21 C ATOM 80 CZ PHE A 7 12.952 -20.015 0.266 1.00 32.42 C ATOM 0 H PHE A 7 9.965 -15.805 4.343 1.00 12.51 H new ATOM 0 HA PHE A 7 9.403 -17.846 2.344 1.00 33.14 H new ATOM 0 HB2 PHE A 7 11.687 -16.874 3.598 1.00 75.14 H new ATOM 0 HB3 PHE A 7 11.403 -18.380 4.449 1.00 75.14 H new ATOM 0 HD1 PHE A 7 10.876 -20.459 2.882 1.00 63.54 H new ATOM 0 HD2 PHE A 7 12.896 -16.929 1.616 1.00 20.23 H new ATOM 0 HE1 PHE A 7 11.877 -21.704 1.015 1.00 11.24 H new ATOM 0 HE2 PHE A 7 13.898 -18.170 -0.252 1.00 22.21 H new ATOM 0 HZ PHE A 7 13.395 -20.562 -0.554 1.00 32.42 H new ATOM 90 N TRP A 8 8.696 -19.818 3.780 1.00 64.14 N ATOM 91 CA TRP A 8 7.992 -20.839 4.547 1.00 12.21 C ATOM 92 C TRP A 8 6.685 -20.291 5.111 1.00 45.10 C ATOM 93 O TRP A 8 6.261 -20.673 6.202 1.00 50.35 O ATOM 94 CB TRP A 8 8.877 -21.353 5.684 1.00 54.11 C ATOM 95 CG TRP A 8 10.289 -21.622 5.262 1.00 63.22 C ATOM 96 CD1 TRP A 8 11.414 -20.991 5.712 1.00 74.01 C ATOM 97 CD2 TRP A 8 10.727 -22.592 4.304 1.00 24.11 C ATOM 98 NE1 TRP A 8 12.524 -21.510 5.092 1.00 64.24 N ATOM 99 CE2 TRP A 8 12.130 -22.494 4.224 1.00 24.31 C ATOM 100 CE3 TRP A 8 10.072 -23.535 3.508 1.00 14.10 C ATOM 101 CZ2 TRP A 8 12.886 -23.303 3.379 1.00 54.00 C ATOM 102 CZ3 TRP A 8 10.823 -24.337 2.670 1.00 55.44 C ATOM 103 CH2 TRP A 8 12.217 -24.217 2.611 1.00 65.32 C ATOM 0 H TRP A 8 8.968 -20.109 2.841 1.00 64.14 H new ATOM 0 HA TRP A 8 7.758 -21.666 3.876 1.00 12.21 H new ATOM 0 HB2 TRP A 8 8.880 -20.621 6.492 1.00 54.11 H new ATOM 0 HB3 TRP A 8 8.445 -22.269 6.086 1.00 54.11 H new ATOM 0 HD1 TRP A 8 11.428 -20.200 6.447 1.00 74.01 H new ATOM 0 HE1 TRP A 8 13.486 -21.211 5.252 1.00 64.24 H new ATOM 0 HE3 TRP A 8 8.997 -23.635 3.547 1.00 14.10 H new ATOM 0 HZ2 TRP A 8 13.961 -23.212 3.332 1.00 54.00 H new ATOM 0 HZ3 TRP A 8 10.326 -25.069 2.050 1.00 55.44 H new ATOM 0 HH2 TRP A 8 12.776 -24.859 1.946 1.00 65.32 H new ATOM 114 N SER A 9 6.052 -19.394 4.361 1.00 21.44 N ATOM 115 CA SER A 9 4.795 -18.791 4.789 1.00 22.42 C ATOM 116 C SER A 9 3.612 -19.440 4.077 1.00 13.33 C ATOM 117 O SER A 9 3.544 -19.453 2.849 1.00 70.23 O ATOM 118 CB SER A 9 4.808 -17.286 4.515 1.00 73.31 C ATOM 119 OG SER A 9 3.990 -16.592 5.441 1.00 24.34 O ATOM 0 H SER A 9 6.389 -19.069 3.455 1.00 21.44 H new ATOM 0 HA SER A 9 4.687 -18.956 5.861 1.00 22.42 H new ATOM 0 HB2 SER A 9 5.830 -16.911 4.575 1.00 73.31 H new ATOM 0 HB3 SER A 9 4.458 -17.095 3.501 1.00 73.31 H new ATOM 0 HG SER A 9 4.139 -15.628 5.350 1.00 24.34 H new ATOM 125 N ALA A 10 2.681 -19.976 4.859 1.00 32.53 N ATOM 126 CA ALA A 10 1.499 -20.625 4.305 1.00 13.22 C ATOM 127 C ALA A 10 0.800 -19.722 3.294 1.00 3.22 C ATOM 128 O ALA A 10 0.624 -18.527 3.532 1.00 53.51 O ATOM 129 CB ALA A 10 0.539 -21.014 5.420 1.00 52.22 C ATOM 0 H ALA A 10 2.722 -19.974 5.878 1.00 32.53 H new ATOM 0 HA ALA A 10 1.820 -21.528 3.786 1.00 13.22 H new ATOM 0 HB1 ALA A 10 -0.339 -21.498 4.992 1.00 52.22 H new ATOM 0 HB2 ALA A 10 1.035 -21.703 6.104 1.00 52.22 H new ATOM 0 HB3 ALA A 10 0.232 -20.121 5.964 1.00 52.22 H new ATOM 135 N CYS A 11 0.405 -20.300 2.165 1.00 64.20 N ATOM 136 CA CYS A 11 -0.273 -19.548 1.116 1.00 2.14 C ATOM 137 C CYS A 11 -1.213 -20.449 0.321 1.00 20.44 C ATOM 138 O CYS A 11 -1.387 -21.623 0.647 1.00 44.01 O ATOM 139 CB CYS A 11 0.750 -18.905 0.178 1.00 62.23 C ATOM 140 SG CYS A 11 1.994 -20.066 -0.474 1.00 34.21 S ATOM 0 H CYS A 11 0.543 -21.288 1.953 1.00 64.20 H new ATOM 0 HA CYS A 11 -0.864 -18.764 1.590 1.00 2.14 H new ATOM 0 HB2 CYS A 11 0.222 -18.447 -0.659 1.00 62.23 H new ATOM 0 HB3 CYS A 11 1.261 -18.103 0.710 1.00 62.23 H new ATOM 145 N ASN A 12 -1.817 -19.891 -0.723 1.00 24.31 N ATOM 146 CA ASN A 12 -2.739 -20.644 -1.565 1.00 34.24 C ATOM 147 C ASN A 12 -2.122 -20.927 -2.931 1.00 21.33 C ATOM 148 O ASN A 12 -1.441 -20.086 -3.518 1.00 73.33 O ATOM 149 CB ASN A 12 -4.051 -19.875 -1.735 1.00 2.32 C ATOM 150 CG ASN A 12 -5.267 -20.776 -1.642 1.00 25.52 C ATOM 151 OD1 ASN A 12 -5.510 -21.404 -0.611 1.00 53.00 O ATOM 152 ND2 ASN A 12 -6.036 -20.845 -2.722 1.00 12.02 N ATOM 0 H ASN A 12 -1.684 -18.920 -1.006 1.00 24.31 H new ATOM 0 HA ASN A 12 -2.944 -21.596 -1.075 1.00 34.24 H new ATOM 0 HB2 ASN A 12 -4.117 -19.101 -0.970 1.00 2.32 H new ATOM 0 HB3 ASN A 12 -4.050 -19.370 -2.701 1.00 2.32 H new ATOM 0 HD21 ASN A 12 -6.867 -21.436 -2.719 1.00 12.02 H new ATOM 0 HD22 ASN A 12 -5.796 -20.307 -3.554 1.00 12.02 H new ATOM 159 N PRO A 13 -2.365 -22.140 -3.450 1.00 25.12 N ATOM 160 CA PRO A 13 -1.843 -22.562 -4.753 1.00 64.10 C ATOM 161 C PRO A 13 -2.508 -21.826 -5.910 1.00 55.43 C ATOM 162 O PRO A 13 -1.966 -21.761 -7.014 1.00 24.15 O ATOM 163 CB PRO A 13 -2.180 -24.054 -4.804 1.00 31.31 C ATOM 164 CG PRO A 13 -3.352 -24.209 -3.898 1.00 13.34 C ATOM 165 CD PRO A 13 -3.167 -23.192 -2.805 1.00 35.42 C ATOM 0 HA PRO A 13 -0.779 -22.348 -4.854 1.00 64.10 H new ATOM 0 HB2 PRO A 13 -2.420 -24.371 -5.819 1.00 31.31 H new ATOM 0 HB3 PRO A 13 -1.339 -24.661 -4.470 1.00 31.31 H new ATOM 0 HG2 PRO A 13 -4.285 -24.040 -4.435 1.00 13.34 H new ATOM 0 HG3 PRO A 13 -3.398 -25.218 -3.489 1.00 13.34 H new ATOM 0 HD2 PRO A 13 -4.122 -22.807 -2.448 1.00 35.42 H new ATOM 0 HD3 PRO A 13 -2.653 -23.617 -1.943 1.00 35.42 H new ATOM 173 N LYS A 14 -3.688 -21.271 -5.652 1.00 42.40 N ATOM 174 CA LYS A 14 -4.428 -20.536 -6.671 1.00 71.53 C ATOM 175 C LYS A 14 -4.126 -19.043 -6.594 1.00 23.42 C ATOM 176 O LYS A 14 -4.354 -18.304 -7.550 1.00 74.11 O ATOM 177 CB LYS A 14 -5.931 -20.772 -6.508 1.00 74.32 C ATOM 178 CG LYS A 14 -6.300 -22.232 -6.306 1.00 43.11 C ATOM 179 CD LYS A 14 -7.798 -22.410 -6.129 1.00 13.52 C ATOM 180 CE LYS A 14 -8.117 -23.595 -5.231 1.00 3.15 C ATOM 181 NZ LYS A 14 -7.913 -24.893 -5.932 1.00 3.33 N ATOM 0 H LYS A 14 -4.152 -21.317 -4.745 1.00 42.40 H new ATOM 0 HA LYS A 14 -4.112 -20.902 -7.648 1.00 71.53 H new ATOM 0 HB2 LYS A 14 -6.291 -20.194 -5.657 1.00 74.32 H new ATOM 0 HB3 LYS A 14 -6.447 -20.394 -7.391 1.00 74.32 H new ATOM 0 HG2 LYS A 14 -5.962 -22.815 -7.163 1.00 43.11 H new ATOM 0 HG3 LYS A 14 -5.781 -22.622 -5.430 1.00 43.11 H new ATOM 0 HD2 LYS A 14 -8.225 -21.503 -5.701 1.00 13.52 H new ATOM 0 HD3 LYS A 14 -8.266 -22.554 -7.103 1.00 13.52 H new ATOM 0 HE2 LYS A 14 -7.485 -23.558 -4.343 1.00 3.15 H new ATOM 0 HE3 LYS A 14 -9.150 -23.525 -4.890 1.00 3.15 H new ATOM 0 HZ1 LYS A 14 -8.141 -25.676 -5.286 1.00 3.33 H new ATOM 0 HZ2 LYS A 14 -8.534 -24.939 -6.765 1.00 3.33 H new ATOM 0 HZ3 LYS A 14 -6.921 -24.972 -6.235 1.00 3.33 H new ATOM 195 N ASN A 15 -3.609 -18.607 -5.449 1.00 70.55 N ATOM 196 CA ASN A 15 -3.274 -17.202 -5.248 1.00 73.32 C ATOM 197 C ASN A 15 -1.968 -17.060 -4.474 1.00 4.12 C ATOM 198 O ASN A 15 -1.970 -16.936 -3.249 1.00 33.21 O ATOM 199 CB ASN A 15 -4.403 -16.490 -4.501 1.00 13.41 C ATOM 200 CG ASN A 15 -4.305 -14.980 -4.609 1.00 33.13 C ATOM 201 OD1 ASN A 15 -3.921 -14.445 -5.648 1.00 41.44 O ATOM 202 ND2 ASN A 15 -4.653 -14.286 -3.531 1.00 73.42 N ATOM 0 H ASN A 15 -3.413 -19.206 -4.647 1.00 70.55 H new ATOM 0 HA ASN A 15 -3.147 -16.740 -6.227 1.00 73.32 H new ATOM 0 HB2 ASN A 15 -5.363 -16.819 -4.900 1.00 13.41 H new ATOM 0 HB3 ASN A 15 -4.379 -16.779 -3.450 1.00 13.41 H new ATOM 0 HD21 ASN A 15 -4.607 -13.267 -3.544 1.00 73.42 H new ATOM 0 HD22 ASN A 15 -4.966 -14.772 -2.691 1.00 73.42 H new ATOM 209 N ASP A 16 -0.853 -17.078 -5.197 1.00 12.24 N ATOM 210 CA ASP A 16 0.461 -16.949 -4.578 1.00 43.13 C ATOM 211 C ASP A 16 0.747 -15.497 -4.205 1.00 75.45 C ATOM 212 O ASP A 16 0.930 -14.646 -5.076 1.00 13.14 O ATOM 213 CB ASP A 16 1.546 -17.468 -5.523 1.00 61.41 C ATOM 214 CG ASP A 16 2.937 -17.044 -5.096 1.00 44.34 C ATOM 215 OD1 ASP A 16 3.288 -15.863 -5.305 1.00 32.03 O ATOM 216 OD2 ASP A 16 3.676 -17.892 -4.553 1.00 53.44 O ATOM 0 H ASP A 16 -0.833 -17.181 -6.212 1.00 12.24 H new ATOM 0 HA ASP A 16 0.466 -17.547 -3.667 1.00 43.13 H new ATOM 0 HB2 ASP A 16 1.498 -18.556 -5.564 1.00 61.41 H new ATOM 0 HB3 ASP A 16 1.351 -17.102 -6.531 1.00 61.41 H new ATOM 221 N LYS A 17 0.782 -15.222 -2.906 1.00 52.42 N ATOM 222 CA LYS A 17 1.045 -13.874 -2.416 1.00 54.35 C ATOM 223 C LYS A 17 2.404 -13.800 -1.729 1.00 22.12 C ATOM 224 O LYS A 17 2.611 -12.990 -0.824 1.00 71.35 O ATOM 225 CB LYS A 17 -0.055 -13.439 -1.445 1.00 5.44 C ATOM 226 CG LYS A 17 -1.400 -13.209 -2.111 1.00 60.31 C ATOM 227 CD LYS A 17 -2.051 -11.925 -1.626 1.00 43.45 C ATOM 228 CE LYS A 17 -2.753 -12.124 -0.292 1.00 74.54 C ATOM 229 NZ LYS A 17 -1.851 -11.841 0.858 1.00 52.42 N ATOM 0 H LYS A 17 0.631 -15.915 -2.173 1.00 52.42 H new ATOM 0 HA LYS A 17 1.054 -13.198 -3.271 1.00 54.35 H new ATOM 0 HB2 LYS A 17 -0.167 -14.200 -0.672 1.00 5.44 H new ATOM 0 HB3 LYS A 17 0.255 -12.521 -0.946 1.00 5.44 H new ATOM 0 HG2 LYS A 17 -1.269 -13.165 -3.192 1.00 60.31 H new ATOM 0 HG3 LYS A 17 -2.058 -14.053 -1.904 1.00 60.31 H new ATOM 0 HD2 LYS A 17 -1.294 -11.147 -1.527 1.00 43.45 H new ATOM 0 HD3 LYS A 17 -2.770 -11.578 -2.368 1.00 43.45 H new ATOM 0 HE2 LYS A 17 -3.624 -11.471 -0.239 1.00 74.54 H new ATOM 0 HE3 LYS A 17 -3.118 -13.149 -0.223 1.00 74.54 H new ATOM 0 HZ1 LYS A 17 -2.389 -11.906 1.746 1.00 52.42 H new ATOM 0 HZ2 LYS A 17 -1.077 -12.535 0.871 1.00 52.42 H new ATOM 0 HZ3 LYS A 17 -1.456 -10.884 0.762 1.00 52.42 H new ATOM 243 N CYS A 18 3.329 -14.649 -2.164 1.00 31.31 N ATOM 244 CA CYS A 18 4.669 -14.680 -1.592 1.00 24.35 C ATOM 245 C CYS A 18 5.519 -13.535 -2.134 1.00 1.41 C ATOM 246 O CYS A 18 5.140 -12.868 -3.097 1.00 51.31 O ATOM 247 CB CYS A 18 5.345 -16.019 -1.895 1.00 3.13 C ATOM 248 SG CYS A 18 4.303 -17.473 -1.551 1.00 51.10 S ATOM 0 H CYS A 18 3.174 -15.325 -2.912 1.00 31.31 H new ATOM 0 HA CYS A 18 4.578 -14.562 -0.512 1.00 24.35 H new ATOM 0 HB2 CYS A 18 5.639 -16.036 -2.945 1.00 3.13 H new ATOM 0 HB3 CYS A 18 6.260 -16.093 -1.307 1.00 3.13 H new ATOM 253 N CYS A 19 6.670 -13.312 -1.509 1.00 4.01 N ATOM 254 CA CYS A 19 7.575 -12.248 -1.927 1.00 52.21 C ATOM 255 C CYS A 19 8.939 -12.813 -2.313 1.00 74.40 C ATOM 256 O CYS A 19 9.133 -14.028 -2.342 1.00 34.25 O ATOM 257 CB CYS A 19 7.736 -11.218 -0.808 1.00 11.54 C ATOM 258 SG CYS A 19 7.517 -9.492 -1.348 1.00 42.32 S ATOM 0 H CYS A 19 6.998 -13.855 -0.710 1.00 4.01 H new ATOM 0 HA CYS A 19 7.143 -11.761 -2.801 1.00 52.21 H new ATOM 0 HB2 CYS A 19 7.013 -11.436 -0.022 1.00 11.54 H new ATOM 0 HB3 CYS A 19 8.728 -11.327 -0.369 1.00 11.54 H new ATOM 263 N ALA A 20 9.880 -11.923 -2.609 1.00 31.11 N ATOM 264 CA ALA A 20 11.226 -12.333 -2.991 1.00 13.44 C ATOM 265 C ALA A 20 11.190 -13.333 -4.141 1.00 34.01 C ATOM 266 O ALA A 20 12.079 -14.173 -4.274 1.00 11.43 O ATOM 267 CB ALA A 20 11.956 -12.926 -1.795 1.00 72.30 C ATOM 0 H ALA A 20 9.735 -10.913 -2.592 1.00 31.11 H new ATOM 0 HA ALA A 20 11.766 -11.449 -3.331 1.00 13.44 H new ATOM 0 HB1 ALA A 20 12.960 -13.228 -2.094 1.00 72.30 H new ATOM 0 HB2 ALA A 20 12.023 -12.180 -1.003 1.00 72.30 H new ATOM 0 HB3 ALA A 20 11.409 -13.795 -1.430 1.00 72.30 H new ATOM 273 N ASN A 21 10.155 -13.238 -4.970 1.00 10.42 N ATOM 274 CA ASN A 21 10.003 -14.136 -6.109 1.00 14.24 C ATOM 275 C ASN A 21 9.855 -15.582 -5.645 1.00 53.20 C ATOM 276 O ASN A 21 10.251 -16.514 -6.346 1.00 55.14 O ATOM 277 CB ASN A 21 11.204 -14.010 -7.048 1.00 73.01 C ATOM 278 CG ASN A 21 11.690 -12.579 -7.176 1.00 61.43 C ATOM 279 OD1 ASN A 21 10.951 -11.698 -7.614 1.00 40.42 O ATOM 280 ND2 ASN A 21 12.940 -12.343 -6.794 1.00 33.11 N ATOM 0 H ASN A 21 9.410 -12.548 -4.874 1.00 10.42 H new ATOM 0 HA ASN A 21 9.099 -13.851 -6.647 1.00 14.24 H new ATOM 0 HB2 ASN A 21 12.017 -14.635 -6.679 1.00 73.01 H new ATOM 0 HB3 ASN A 21 10.932 -14.388 -8.034 1.00 73.01 H new ATOM 0 HD21 ASN A 21 13.323 -11.400 -6.858 1.00 33.11 H new ATOM 0 HD22 ASN A 21 13.517 -13.105 -6.437 1.00 33.11 H new ATOM 287 N LEU A 22 9.282 -15.762 -4.460 1.00 10.50 N ATOM 288 CA LEU A 22 9.080 -17.094 -3.902 1.00 24.21 C ATOM 289 C LEU A 22 8.028 -17.863 -4.694 1.00 61.14 C ATOM 290 O LEU A 22 7.468 -17.350 -5.664 1.00 24.43 O ATOM 291 CB LEU A 22 8.659 -16.996 -2.435 1.00 2.24 C ATOM 292 CG LEU A 22 9.778 -16.705 -1.433 1.00 55.23 C ATOM 293 CD1 LEU A 22 9.227 -15.983 -0.213 1.00 41.23 C ATOM 294 CD2 LEU A 22 10.475 -17.994 -1.023 1.00 52.41 C ATOM 0 H LEU A 22 8.949 -15.002 -3.867 1.00 10.50 H new ATOM 0 HA LEU A 22 10.024 -17.635 -3.967 1.00 24.21 H new ATOM 0 HB2 LEU A 22 7.906 -16.213 -2.346 1.00 2.24 H new ATOM 0 HB3 LEU A 22 8.180 -17.933 -2.152 1.00 2.24 H new ATOM 0 HG LEU A 22 10.511 -16.056 -1.913 1.00 55.23 H new ATOM 0 HD11 LEU A 22 10.037 -15.784 0.489 1.00 41.23 H new ATOM 0 HD12 LEU A 22 8.775 -15.040 -0.521 1.00 41.23 H new ATOM 0 HD13 LEU A 22 8.474 -16.606 0.269 1.00 41.23 H new ATOM 0 HD21 LEU A 22 11.268 -17.768 -0.310 1.00 52.41 H new ATOM 0 HD22 LEU A 22 9.753 -18.667 -0.561 1.00 52.41 H new ATOM 0 HD23 LEU A 22 10.904 -18.472 -1.904 1.00 52.41 H new ATOM 306 N VAL A 23 7.762 -19.096 -4.274 1.00 51.23 N ATOM 307 CA VAL A 23 6.774 -19.935 -4.942 1.00 41.45 C ATOM 308 C VAL A 23 5.854 -20.611 -3.932 1.00 51.25 C ATOM 309 O VAL A 23 6.285 -21.001 -2.847 1.00 62.11 O ATOM 310 CB VAL A 23 7.449 -21.014 -5.809 1.00 71.51 C ATOM 311 CG1 VAL A 23 8.380 -21.872 -4.965 1.00 51.32 C ATOM 312 CG2 VAL A 23 6.401 -21.873 -6.501 1.00 62.12 C ATOM 0 H VAL A 23 8.217 -19.536 -3.474 1.00 51.23 H new ATOM 0 HA VAL A 23 6.184 -19.280 -5.584 1.00 41.45 H new ATOM 0 HB VAL A 23 8.045 -20.519 -6.576 1.00 71.51 H new ATOM 0 HG11 VAL A 23 8.848 -22.629 -5.595 1.00 51.32 H new ATOM 0 HG12 VAL A 23 9.151 -21.243 -4.520 1.00 51.32 H new ATOM 0 HG13 VAL A 23 7.809 -22.360 -4.175 1.00 51.32 H new ATOM 0 HG21 VAL A 23 6.895 -22.630 -7.110 1.00 62.12 H new ATOM 0 HG22 VAL A 23 5.777 -22.360 -5.752 1.00 62.12 H new ATOM 0 HG23 VAL A 23 5.779 -21.245 -7.138 1.00 62.12 H new ATOM 322 N CYS A 24 4.583 -20.747 -4.297 1.00 23.23 N ATOM 323 CA CYS A 24 3.600 -21.376 -3.423 1.00 62.52 C ATOM 324 C CYS A 24 3.409 -22.846 -3.789 1.00 51.51 C ATOM 325 O CYS A 24 2.656 -23.175 -4.706 1.00 12.35 O ATOM 326 CB CYS A 24 2.263 -20.639 -3.511 1.00 74.14 C ATOM 327 SG CYS A 24 1.167 -20.914 -2.082 1.00 54.44 S ATOM 0 H CYS A 24 4.210 -20.430 -5.192 1.00 23.23 H new ATOM 0 HA CYS A 24 3.971 -21.320 -2.400 1.00 62.52 H new ATOM 0 HB2 CYS A 24 2.455 -19.570 -3.608 1.00 74.14 H new ATOM 0 HB3 CYS A 24 1.746 -20.953 -4.418 1.00 74.14 H new ATOM 332 N SER A 25 4.096 -23.724 -3.066 1.00 32.10 N ATOM 333 CA SER A 25 4.005 -25.158 -3.316 1.00 53.22 C ATOM 334 C SER A 25 2.575 -25.653 -3.123 1.00 74.03 C ATOM 335 O SER A 25 1.999 -25.517 -2.044 1.00 22.23 O ATOM 336 CB SER A 25 4.950 -25.920 -2.386 1.00 63.33 C ATOM 337 OG SER A 25 4.653 -27.306 -2.381 1.00 42.13 O ATOM 0 H SER A 25 4.722 -23.468 -2.302 1.00 32.10 H new ATOM 0 HA SER A 25 4.298 -25.341 -4.350 1.00 53.22 H new ATOM 0 HB2 SER A 25 5.981 -25.767 -2.705 1.00 63.33 H new ATOM 0 HB3 SER A 25 4.867 -25.524 -1.374 1.00 63.33 H new ATOM 0 HG SER A 25 5.292 -27.775 -1.805 1.00 42.13 H new ATOM 343 N SER A 26 2.007 -26.228 -4.179 1.00 32.13 N ATOM 344 CA SER A 26 0.643 -26.741 -4.128 1.00 54.32 C ATOM 345 C SER A 26 0.554 -27.959 -3.214 1.00 74.12 C ATOM 346 O SER A 26 -0.538 -28.415 -2.871 1.00 44.51 O ATOM 347 CB SER A 26 0.160 -27.107 -5.533 1.00 44.32 C ATOM 348 OG SER A 26 1.254 -27.300 -6.413 1.00 61.53 O ATOM 0 H SER A 26 2.470 -26.350 -5.079 1.00 32.13 H new ATOM 0 HA SER A 26 0.002 -25.958 -3.724 1.00 54.32 H new ATOM 0 HB2 SER A 26 -0.441 -28.015 -5.490 1.00 44.32 H new ATOM 0 HB3 SER A 26 -0.485 -26.317 -5.917 1.00 44.32 H new ATOM 0 HG SER A 26 0.920 -27.535 -7.304 1.00 61.53 H new ATOM 354 N LYS A 27 1.710 -28.483 -2.823 1.00 43.00 N ATOM 355 CA LYS A 27 1.766 -29.648 -1.948 1.00 2.22 C ATOM 356 C LYS A 27 1.867 -29.225 -0.486 1.00 23.54 C ATOM 357 O LYS A 27 0.957 -29.471 0.306 1.00 32.13 O ATOM 358 CB LYS A 27 2.959 -30.533 -2.318 1.00 12.42 C ATOM 359 CG LYS A 27 2.729 -31.375 -3.560 1.00 72.24 C ATOM 360 CD LYS A 27 2.042 -32.688 -3.224 1.00 70.35 C ATOM 361 CE LYS A 27 1.878 -33.563 -4.458 1.00 24.31 C ATOM 362 NZ LYS A 27 0.787 -34.562 -4.289 1.00 13.22 N ATOM 0 H LYS A 27 2.622 -28.119 -3.099 1.00 43.00 H new ATOM 0 HA LYS A 27 0.845 -30.216 -2.081 1.00 2.22 H new ATOM 0 HB2 LYS A 27 3.834 -29.902 -2.474 1.00 12.42 H new ATOM 0 HB3 LYS A 27 3.186 -31.192 -1.480 1.00 12.42 H new ATOM 0 HG2 LYS A 27 2.121 -30.817 -4.272 1.00 72.24 H new ATOM 0 HG3 LYS A 27 3.684 -31.577 -4.046 1.00 72.24 H new ATOM 0 HD2 LYS A 27 2.623 -33.222 -2.473 1.00 70.35 H new ATOM 0 HD3 LYS A 27 1.064 -32.487 -2.787 1.00 70.35 H new ATOM 0 HE2 LYS A 27 1.664 -32.935 -5.323 1.00 24.31 H new ATOM 0 HE3 LYS A 27 2.815 -34.080 -4.664 1.00 24.31 H new ATOM 0 HZ1 LYS A 27 0.707 -35.138 -5.151 1.00 13.22 H new ATOM 0 HZ2 LYS A 27 1.003 -35.178 -3.479 1.00 13.22 H new ATOM 0 HZ3 LYS A 27 -0.112 -34.068 -4.118 1.00 13.22 H new ATOM 376 N HIS A 28 2.979 -28.588 -0.134 1.00 43.31 N ATOM 377 CA HIS A 28 3.198 -28.129 1.233 1.00 32.12 C ATOM 378 C HIS A 28 2.326 -26.917 1.546 1.00 52.34 C ATOM 379 O HIS A 28 2.105 -26.580 2.709 1.00 24.22 O ATOM 380 CB HIS A 28 4.671 -27.781 1.447 1.00 2.05 C ATOM 381 CG HIS A 28 5.427 -28.821 2.217 1.00 54.34 C ATOM 382 ND1 HIS A 28 4.961 -29.375 3.390 1.00 31.02 N ATOM 383 CD2 HIS A 28 6.621 -29.408 1.973 1.00 63.43 C ATOM 384 CE1 HIS A 28 5.837 -30.257 3.836 1.00 63.31 C ATOM 385 NE2 HIS A 28 6.854 -30.297 2.994 1.00 51.15 N ATOM 0 H HIS A 28 3.743 -28.378 -0.777 1.00 43.31 H new ATOM 0 HA HIS A 28 2.922 -28.938 1.910 1.00 32.12 H new ATOM 0 HB2 HIS A 28 5.147 -27.641 0.477 1.00 2.05 H new ATOM 0 HB3 HIS A 28 4.738 -26.830 1.975 1.00 2.05 H new ATOM 0 HD2 HIS A 28 7.270 -29.214 1.132 1.00 63.43 H new ATOM 0 HE1 HIS A 28 5.739 -30.846 4.736 1.00 63.31 H new ATOM 0 HE2 HIS A 28 7.678 -30.891 3.087 1.00 51.15 H new ATOM 393 N LYS A 29 1.833 -26.263 0.499 1.00 74.40 N ATOM 394 CA LYS A 29 0.984 -25.089 0.660 1.00 3.52 C ATOM 395 C LYS A 29 1.703 -24.003 1.455 1.00 21.32 C ATOM 396 O LYS A 29 1.239 -23.589 2.517 1.00 0.24 O ATOM 397 CB LYS A 29 -0.321 -25.469 1.362 1.00 74.23 C ATOM 398 CG LYS A 29 -1.001 -26.688 0.762 1.00 53.11 C ATOM 399 CD LYS A 29 -2.423 -26.843 1.276 1.00 41.45 C ATOM 400 CE LYS A 29 -3.202 -27.864 0.461 1.00 42.12 C ATOM 401 NZ LYS A 29 -2.506 -29.179 0.409 1.00 62.41 N ATOM 0 H LYS A 29 2.007 -26.527 -0.471 1.00 74.40 H new ATOM 0 HA LYS A 29 0.755 -24.699 -0.332 1.00 3.52 H new ATOM 0 HB2 LYS A 29 -0.115 -25.660 2.415 1.00 74.23 H new ATOM 0 HB3 LYS A 29 -1.007 -24.623 1.319 1.00 74.23 H new ATOM 0 HG2 LYS A 29 -1.013 -26.601 -0.324 1.00 53.11 H new ATOM 0 HG3 LYS A 29 -0.426 -27.582 1.004 1.00 53.11 H new ATOM 0 HD2 LYS A 29 -2.402 -27.150 2.322 1.00 41.45 H new ATOM 0 HD3 LYS A 29 -2.932 -25.880 1.237 1.00 41.45 H new ATOM 0 HE2 LYS A 29 -4.193 -27.995 0.895 1.00 42.12 H new ATOM 0 HE3 LYS A 29 -3.344 -27.488 -0.552 1.00 42.12 H new ATOM 0 HZ1 LYS A 29 -3.134 -29.887 -0.022 1.00 62.41 H new ATOM 0 HZ2 LYS A 29 -1.640 -29.091 -0.161 1.00 62.41 H new ATOM 0 HZ3 LYS A 29 -2.257 -29.478 1.373 1.00 62.41 H new ATOM 415 N TRP A 30 2.836 -23.547 0.934 1.00 40.13 N ATOM 416 CA TRP A 30 3.618 -22.508 1.595 1.00 32.21 C ATOM 417 C TRP A 30 4.562 -21.828 0.610 1.00 1.44 C ATOM 418 O TRP A 30 4.743 -22.294 -0.515 1.00 11.40 O ATOM 419 CB TRP A 30 4.415 -23.103 2.757 1.00 31.11 C ATOM 420 CG TRP A 30 5.437 -24.110 2.323 1.00 50.54 C ATOM 421 CD1 TRP A 30 5.608 -24.613 1.065 1.00 44.13 C ATOM 422 CD2 TRP A 30 6.427 -24.736 3.146 1.00 51.22 C ATOM 423 NE1 TRP A 30 6.645 -25.514 1.056 1.00 23.44 N ATOM 424 CE2 TRP A 30 7.165 -25.607 2.321 1.00 54.05 C ATOM 425 CE3 TRP A 30 6.763 -24.644 4.499 1.00 3.00 C ATOM 426 CZ2 TRP A 30 8.216 -26.380 2.806 1.00 33.23 C ATOM 427 CZ3 TRP A 30 7.807 -25.412 4.980 1.00 75.24 C ATOM 428 CH2 TRP A 30 8.523 -26.271 4.135 1.00 3.51 C ATOM 0 H TRP A 30 3.234 -23.880 0.056 1.00 40.13 H new ATOM 0 HA TRP A 30 2.927 -21.759 1.983 1.00 32.21 H new ATOM 0 HB2 TRP A 30 4.915 -22.298 3.295 1.00 31.11 H new ATOM 0 HB3 TRP A 30 3.725 -23.575 3.457 1.00 31.11 H new ATOM 0 HD1 TRP A 30 5.015 -24.342 0.204 1.00 44.13 H new ATOM 0 HE1 TRP A 30 6.975 -26.030 0.240 1.00 23.44 H new ATOM 0 HE3 TRP A 30 6.217 -23.985 5.157 1.00 3.00 H new ATOM 0 HZ2 TRP A 30 8.769 -27.042 2.157 1.00 33.23 H new ATOM 0 HZ3 TRP A 30 8.075 -25.349 6.024 1.00 75.24 H new ATOM 0 HH2 TRP A 30 9.333 -26.859 4.541 1.00 3.51 H new ATOM 439 N CYS A 31 5.163 -20.723 1.040 1.00 14.03 N ATOM 440 CA CYS A 31 6.089 -19.978 0.196 1.00 13.45 C ATOM 441 C CYS A 31 7.495 -20.564 0.282 1.00 1.35 C ATOM 442 O CYS A 31 8.303 -20.148 1.113 1.00 25.30 O ATOM 443 CB CYS A 31 6.113 -18.504 0.607 1.00 15.12 C ATOM 444 SG CYS A 31 4.494 -17.676 0.499 1.00 15.24 S ATOM 0 H CYS A 31 5.025 -20.324 1.969 1.00 14.03 H new ATOM 0 HA CYS A 31 5.744 -20.056 -0.835 1.00 13.45 H new ATOM 0 HB2 CYS A 31 6.480 -18.429 1.631 1.00 15.12 H new ATOM 0 HB3 CYS A 31 6.824 -17.973 -0.026 1.00 15.12 H new ATOM 449 N LYS A 32 7.780 -21.532 -0.582 1.00 4.50 N ATOM 450 CA LYS A 32 9.089 -22.175 -0.607 1.00 14.15 C ATOM 451 C LYS A 32 9.929 -21.654 -1.768 1.00 24.12 C ATOM 452 O LYS A 32 9.489 -20.794 -2.529 1.00 10.22 O ATOM 453 CB LYS A 32 8.931 -23.693 -0.718 1.00 21.14 C ATOM 454 CG LYS A 32 8.196 -24.138 -1.970 1.00 64.32 C ATOM 455 CD LYS A 32 9.148 -24.742 -2.990 1.00 35.12 C ATOM 456 CE LYS A 32 9.725 -26.061 -2.500 1.00 70.45 C ATOM 457 NZ LYS A 32 8.973 -27.229 -3.037 1.00 71.23 N ATOM 0 H LYS A 32 7.122 -21.889 -1.275 1.00 4.50 H new ATOM 0 HA LYS A 32 9.602 -21.936 0.325 1.00 14.15 H new ATOM 0 HB2 LYS A 32 9.918 -24.155 -0.703 1.00 21.14 H new ATOM 0 HB3 LYS A 32 8.395 -24.059 0.157 1.00 21.14 H new ATOM 0 HG2 LYS A 32 7.433 -24.870 -1.705 1.00 64.32 H new ATOM 0 HG3 LYS A 32 7.680 -23.286 -2.412 1.00 64.32 H new ATOM 0 HD2 LYS A 32 8.622 -24.901 -3.931 1.00 35.12 H new ATOM 0 HD3 LYS A 32 9.958 -24.042 -3.192 1.00 35.12 H new ATOM 0 HE2 LYS A 32 10.771 -26.134 -2.799 1.00 70.45 H new ATOM 0 HE3 LYS A 32 9.703 -26.085 -1.410 1.00 70.45 H new ATOM 0 HZ1 LYS A 32 9.397 -28.109 -2.680 1.00 71.23 H new ATOM 0 HZ2 LYS A 32 7.981 -27.174 -2.731 1.00 71.23 H new ATOM 0 HZ3 LYS A 32 9.015 -27.221 -4.076 1.00 71.23 H new ATOM 471 N GLY A 33 11.142 -22.183 -1.898 1.00 44.04 N ATOM 472 CA GLY A 33 12.025 -21.760 -2.970 1.00 54.13 C ATOM 473 C GLY A 33 11.893 -22.628 -4.206 1.00 23.01 C ATOM 474 O GLY A 33 12.057 -23.846 -4.139 1.00 25.44 O ATOM 0 H GLY A 33 11.529 -22.897 -1.280 1.00 44.04 H new ATOM 0 HA2 GLY A 33 11.804 -20.725 -3.231 1.00 54.13 H new ATOM 0 HA3 GLY A 33 13.057 -21.787 -2.619 1.00 54.13 H new ATOM 478 N LYS A 34 11.595 -22.001 -5.339 1.00 13.14 N ATOM 479 CA LYS A 34 11.441 -22.723 -6.596 1.00 35.11 C ATOM 480 C LYS A 34 12.740 -23.420 -6.986 1.00 31.54 C ATOM 481 O LYS A 34 13.742 -22.768 -7.283 1.00 33.24 O ATOM 482 CB LYS A 34 11.010 -21.765 -7.709 1.00 10.23 C ATOM 483 CG LYS A 34 10.398 -22.464 -8.910 1.00 43.14 C ATOM 484 CD LYS A 34 10.409 -21.571 -10.140 1.00 21.20 C ATOM 485 CE LYS A 34 9.316 -20.516 -10.072 1.00 74.14 C ATOM 486 NZ LYS A 34 7.979 -21.081 -10.406 1.00 54.21 N ATOM 0 H LYS A 34 11.455 -20.993 -5.412 1.00 13.14 H new ATOM 0 HA LYS A 34 10.670 -23.481 -6.458 1.00 35.11 H new ATOM 0 HB2 LYS A 34 10.288 -21.055 -7.306 1.00 10.23 H new ATOM 0 HB3 LYS A 34 11.876 -21.189 -8.037 1.00 10.23 H new ATOM 0 HG2 LYS A 34 10.950 -23.380 -9.119 1.00 43.14 H new ATOM 0 HG3 LYS A 34 9.373 -22.755 -8.680 1.00 43.14 H new ATOM 0 HD2 LYS A 34 11.380 -21.085 -10.229 1.00 21.20 H new ATOM 0 HD3 LYS A 34 10.274 -22.180 -11.034 1.00 21.20 H new ATOM 0 HE2 LYS A 34 9.289 -20.085 -9.071 1.00 74.14 H new ATOM 0 HE3 LYS A 34 9.550 -19.705 -10.762 1.00 74.14 H new ATOM 0 HZ1 LYS A 34 7.272 -20.318 -10.415 1.00 54.21 H new ATOM 0 HZ2 LYS A 34 8.016 -21.530 -11.344 1.00 54.21 H new ATOM 0 HZ3 LYS A 34 7.714 -21.790 -9.693 1.00 54.21 H new ATOM 500 N LEU A 35 12.717 -24.749 -6.984 1.00 55.31 N ATOM 501 CA LEU A 35 13.893 -25.535 -7.339 1.00 72.03 C ATOM 502 C LEU A 35 14.187 -25.431 -8.832 1.00 50.33 C ATOM 503 O LEU A 35 13.273 -25.432 -9.657 1.00 2.20 O ATOM 504 CB LEU A 35 13.688 -27.000 -6.949 1.00 41.03 C ATOM 505 CG LEU A 35 13.901 -27.338 -5.473 1.00 44.24 C ATOM 506 CD1 LEU A 35 13.085 -28.560 -5.082 1.00 42.11 C ATOM 507 CD2 LEU A 35 15.378 -27.566 -5.187 1.00 23.34 C ATOM 0 H LEU A 35 11.897 -25.304 -6.740 1.00 55.31 H new ATOM 0 HA LEU A 35 14.746 -25.135 -6.791 1.00 72.03 H new ATOM 0 HB2 LEU A 35 12.674 -27.290 -7.225 1.00 41.03 H new ATOM 0 HB3 LEU A 35 14.367 -27.612 -7.543 1.00 41.03 H new ATOM 0 HG LEU A 35 13.561 -26.494 -4.873 1.00 44.24 H new ATOM 0 HD11 LEU A 35 13.249 -28.785 -4.028 1.00 42.11 H new ATOM 0 HD12 LEU A 35 12.027 -28.360 -5.249 1.00 42.11 H new ATOM 0 HD13 LEU A 35 13.393 -29.412 -5.688 1.00 42.11 H new ATOM 0 HD21 LEU A 35 15.512 -27.805 -4.132 1.00 23.34 H new ATOM 0 HD22 LEU A 35 15.743 -28.393 -5.796 1.00 23.34 H new ATOM 0 HD23 LEU A 35 15.939 -26.663 -5.428 1.00 23.34 H new TER 519 LEU A 35