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+ -169:sc= -0.0347 (180deg=-0.128) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.02 X(o=-2,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0514 (180deg=-0.317) USER MOD Single : A 21 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 25 SER OG : rot 170:sc= 0.237 USER MOD Single : A 26 SER OG : rot 180:sc= -0.823 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.41) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0957 (180deg=-0.522) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.427 0.035 0.107 1.00 43.13 N ATOM 2 CA GLY A 1 2.376 0.108 -0.989 1.00 0.10 C ATOM 3 C GLY A 1 2.753 -1.260 -1.522 1.00 31.13 C ATOM 4 O GLY A 1 3.035 -1.415 -2.709 1.00 3.11 O ATOM 0 H1 GLY A 1 1.060 0.986 0.312 1.00 43.13 H new ATOM 0 H2 GLY A 1 0.639 -0.591 -0.157 1.00 43.13 H new ATOM 0 H3 GLY A 1 1.901 -0.343 0.952 1.00 43.13 H new ATOM 0 HA2 GLY A 1 1.949 0.704 -1.796 1.00 0.10 H new ATOM 0 HA3 GLY A 1 3.275 0.624 -0.653 1.00 0.10 H new ATOM 8 N ASN A 2 2.759 -2.255 -0.641 1.00 20.33 N ATOM 9 CA ASN A 2 3.107 -3.617 -1.029 1.00 34.51 C ATOM 10 C ASN A 2 2.513 -4.629 -0.053 1.00 64.32 C ATOM 11 O ASN A 2 2.331 -4.334 1.128 1.00 33.51 O ATOM 12 CB ASN A 2 4.627 -3.781 -1.089 1.00 13.32 C ATOM 13 CG ASN A 2 5.334 -3.016 0.013 1.00 22.13 C ATOM 14 OD1 ASN A 2 5.098 -3.252 1.198 1.00 15.12 O ATOM 15 ND2 ASN A 2 6.208 -2.094 -0.373 1.00 40.05 N ATOM 0 H ASN A 2 2.527 -2.144 0.346 1.00 20.33 H new ATOM 0 HA ASN A 2 2.689 -3.804 -2.018 1.00 34.51 H new ATOM 0 HB2 ASN A 2 4.879 -4.839 -1.013 1.00 13.32 H new ATOM 0 HB3 ASN A 2 4.989 -3.436 -2.057 1.00 13.32 H new ATOM 0 HD21 ASN A 2 6.715 -1.548 0.324 1.00 40.05 H new ATOM 0 HD22 ASN A 2 6.373 -1.931 -1.366 1.00 40.05 H new ATOM 22 N ASP A 3 2.215 -5.822 -0.555 1.00 63.44 N ATOM 23 CA ASP A 3 1.644 -6.879 0.272 1.00 63.24 C ATOM 24 C ASP A 3 2.098 -8.253 -0.213 1.00 14.13 C ATOM 25 O ASP A 3 1.722 -8.696 -1.299 1.00 15.55 O ATOM 26 CB ASP A 3 0.117 -6.798 0.257 1.00 20.05 C ATOM 27 CG ASP A 3 -0.426 -5.907 1.357 1.00 5.33 C ATOM 28 OD1 ASP A 3 -0.588 -6.398 2.494 1.00 21.30 O ATOM 29 OD2 ASP A 3 -0.687 -4.717 1.082 1.00 61.34 O ATOM 0 H ASP A 3 2.359 -6.082 -1.531 1.00 63.44 H new ATOM 0 HA ASP A 3 1.997 -6.739 1.294 1.00 63.24 H new ATOM 0 HB2 ASP A 3 -0.214 -6.420 -0.710 1.00 20.05 H new ATOM 0 HB3 ASP A 3 -0.298 -7.800 0.367 1.00 20.05 H new ATOM 34 N CYS A 4 2.908 -8.923 0.599 1.00 5.13 N ATOM 35 CA CYS A 4 3.415 -10.246 0.254 1.00 1.41 C ATOM 36 C CYS A 4 3.744 -11.047 1.510 1.00 32.14 C ATOM 37 O CYS A 4 3.619 -10.547 2.629 1.00 30.54 O ATOM 38 CB CYS A 4 4.660 -10.124 -0.627 1.00 20.12 C ATOM 39 SG CYS A 4 5.871 -8.897 -0.037 1.00 60.44 S ATOM 0 H CYS A 4 3.228 -8.571 1.501 1.00 5.13 H new ATOM 0 HA CYS A 4 2.637 -10.773 -0.298 1.00 1.41 H new ATOM 0 HB2 CYS A 4 5.146 -11.098 -0.688 1.00 20.12 H new ATOM 0 HB3 CYS A 4 4.352 -9.858 -1.638 1.00 20.12 H new ATOM 44 N LEU A 5 4.165 -12.292 1.318 1.00 74.23 N ATOM 45 CA LEU A 5 4.512 -13.164 2.435 1.00 42.14 C ATOM 46 C LEU A 5 6.002 -13.490 2.428 1.00 62.03 C ATOM 47 O LEU A 5 6.682 -13.313 1.418 1.00 41.12 O ATOM 48 CB LEU A 5 3.695 -14.456 2.372 1.00 4.22 C ATOM 49 CG LEU A 5 2.178 -14.287 2.282 1.00 64.10 C ATOM 50 CD1 LEU A 5 1.532 -15.554 1.743 1.00 15.24 C ATOM 51 CD2 LEU A 5 1.600 -13.928 3.643 1.00 52.32 C ATOM 0 H LEU A 5 4.274 -12.721 0.399 1.00 74.23 H new ATOM 0 HA LEU A 5 4.278 -12.639 3.361 1.00 42.14 H new ATOM 0 HB2 LEU A 5 4.028 -15.031 1.508 1.00 4.22 H new ATOM 0 HB3 LEU A 5 3.922 -15.050 3.257 1.00 4.22 H new ATOM 0 HG LEU A 5 1.962 -13.471 1.592 1.00 64.10 H new ATOM 0 HD11 LEU A 5 0.452 -15.416 1.686 1.00 15.24 H new ATOM 0 HD12 LEU A 5 1.924 -15.767 0.749 1.00 15.24 H new ATOM 0 HD13 LEU A 5 1.756 -16.388 2.408 1.00 15.24 H new ATOM 0 HD21 LEU A 5 0.519 -13.812 3.560 1.00 52.32 H new ATOM 0 HD22 LEU A 5 1.826 -14.722 4.355 1.00 52.32 H new ATOM 0 HD23 LEU A 5 2.040 -12.993 3.990 1.00 52.32 H new ATOM 63 N GLY A 6 6.503 -13.970 3.562 1.00 2.10 N ATOM 64 CA GLY A 6 7.909 -14.315 3.664 1.00 20.45 C ATOM 65 C GLY A 6 8.185 -15.749 3.255 1.00 2.44 C ATOM 66 O GLY A 6 7.465 -16.317 2.434 1.00 24.11 O ATOM 0 H GLY A 6 5.961 -14.126 4.412 1.00 2.10 H new ATOM 0 HA2 GLY A 6 8.492 -13.642 3.035 1.00 20.45 H new ATOM 0 HA3 GLY A 6 8.244 -14.162 4.690 1.00 20.45 H new ATOM 70 N PHE A 7 9.232 -16.334 3.828 1.00 73.43 N ATOM 71 CA PHE A 7 9.603 -17.710 3.516 1.00 42.42 C ATOM 72 C PHE A 7 8.839 -18.693 4.397 1.00 15.22 C ATOM 73 O PHE A 7 8.469 -18.372 5.527 1.00 73.13 O ATOM 74 CB PHE A 7 11.109 -17.908 3.699 1.00 3.42 C ATOM 75 CG PHE A 7 11.757 -18.657 2.570 1.00 23.24 C ATOM 76 CD1 PHE A 7 11.492 -20.002 2.372 1.00 74.51 C ATOM 77 CD2 PHE A 7 12.633 -18.017 1.708 1.00 15.32 C ATOM 78 CE1 PHE A 7 12.086 -20.695 1.334 1.00 71.21 C ATOM 79 CE2 PHE A 7 13.229 -18.704 0.668 1.00 24.03 C ATOM 80 CZ PHE A 7 12.957 -20.045 0.482 1.00 72.23 C ATOM 0 H PHE A 7 9.838 -15.878 4.510 1.00 73.43 H new ATOM 0 HA PHE A 7 9.341 -17.903 2.476 1.00 42.42 H new ATOM 0 HB2 PHE A 7 11.586 -16.933 3.799 1.00 3.42 H new ATOM 0 HB3 PHE A 7 11.286 -18.446 4.630 1.00 3.42 H new ATOM 0 HD1 PHE A 7 10.813 -20.515 3.037 1.00 74.51 H new ATOM 0 HD2 PHE A 7 12.852 -16.969 1.851 1.00 15.32 H new ATOM 0 HE1 PHE A 7 11.869 -21.743 1.190 1.00 71.21 H new ATOM 0 HE2 PHE A 7 13.907 -18.193 0.001 1.00 24.03 H new ATOM 0 HZ PHE A 7 13.425 -20.585 -0.328 1.00 72.23 H new ATOM 90 N TRP A 8 8.605 -19.890 3.872 1.00 30.12 N ATOM 91 CA TRP A 8 7.884 -20.921 4.611 1.00 53.35 C ATOM 92 C TRP A 8 6.555 -20.387 5.133 1.00 13.51 C ATOM 93 O TRP A 8 6.082 -20.801 6.191 1.00 34.02 O ATOM 94 CB TRP A 8 8.734 -21.433 5.774 1.00 63.42 C ATOM 95 CG TRP A 8 10.162 -21.691 5.397 1.00 31.13 C ATOM 96 CD1 TRP A 8 11.266 -21.055 5.888 1.00 65.11 C ATOM 97 CD2 TRP A 8 10.638 -22.653 4.449 1.00 0.34 C ATOM 98 NE1 TRP A 8 12.401 -21.563 5.302 1.00 73.51 N ATOM 99 CE2 TRP A 8 12.042 -22.545 4.417 1.00 62.35 C ATOM 100 CE3 TRP A 8 10.015 -23.595 3.627 1.00 64.31 C ATOM 101 CZ2 TRP A 8 12.830 -23.344 3.593 1.00 65.24 C ATOM 102 CZ3 TRP A 8 10.799 -24.387 2.810 1.00 61.25 C ATOM 103 CH2 TRP A 8 12.194 -24.259 2.798 1.00 43.53 C ATOM 0 H TRP A 8 8.904 -20.171 2.938 1.00 30.12 H new ATOM 0 HA TRP A 8 7.680 -21.746 3.929 1.00 53.35 H new ATOM 0 HB2 TRP A 8 8.705 -20.704 6.584 1.00 63.42 H new ATOM 0 HB3 TRP A 8 8.295 -22.354 6.158 1.00 63.42 H new ATOM 0 HD1 TRP A 8 11.250 -20.268 6.628 1.00 65.11 H new ATOM 0 HE1 TRP A 8 13.355 -21.258 5.495 1.00 73.51 H new ATOM 0 HE3 TRP A 8 8.940 -23.702 3.630 1.00 64.31 H new ATOM 0 HZ2 TRP A 8 13.905 -23.245 3.581 1.00 65.24 H new ATOM 0 HZ3 TRP A 8 10.328 -25.118 2.169 1.00 61.25 H new ATOM 0 HH2 TRP A 8 12.779 -24.894 2.149 1.00 43.53 H new ATOM 114 N SER A 9 5.957 -19.465 4.385 1.00 52.20 N ATOM 115 CA SER A 9 4.683 -18.872 4.775 1.00 3.55 C ATOM 116 C SER A 9 3.526 -19.529 4.030 1.00 62.32 C ATOM 117 O SER A 9 3.489 -19.534 2.800 1.00 60.32 O ATOM 118 CB SER A 9 4.692 -17.367 4.501 1.00 41.52 C ATOM 119 OG SER A 9 3.838 -16.679 5.399 1.00 24.21 O ATOM 0 H SER A 9 6.334 -19.112 3.505 1.00 52.20 H new ATOM 0 HA SER A 9 4.545 -19.039 5.843 1.00 3.55 H new ATOM 0 HB2 SER A 9 5.708 -16.983 4.595 1.00 41.52 H new ATOM 0 HB3 SER A 9 4.374 -17.179 3.476 1.00 41.52 H new ATOM 0 HG SER A 9 3.982 -15.713 5.312 1.00 24.21 H new ATOM 125 N ALA A 10 2.583 -20.084 4.784 1.00 1.35 N ATOM 126 CA ALA A 10 1.424 -20.743 4.197 1.00 55.35 C ATOM 127 C ALA A 10 0.734 -19.838 3.181 1.00 42.11 C ATOM 128 O ALA A 10 0.519 -18.652 3.435 1.00 23.43 O ATOM 129 CB ALA A 10 0.445 -21.159 5.285 1.00 61.22 C ATOM 0 H ALA A 10 2.600 -20.090 5.804 1.00 1.35 H new ATOM 0 HA ALA A 10 1.771 -21.635 3.675 1.00 55.35 H new ATOM 0 HB1 ALA A 10 -0.416 -21.650 4.831 1.00 61.22 H new ATOM 0 HB2 ALA A 10 0.936 -21.849 5.972 1.00 61.22 H new ATOM 0 HB3 ALA A 10 0.113 -20.277 5.832 1.00 61.22 H new ATOM 135 N CYS A 11 0.390 -20.404 2.029 1.00 43.22 N ATOM 136 CA CYS A 11 -0.274 -19.648 0.973 1.00 22.54 C ATOM 137 C CYS A 11 -1.199 -20.549 0.160 1.00 13.21 C ATOM 138 O CYS A 11 -1.377 -21.723 0.479 1.00 33.44 O ATOM 139 CB CYS A 11 0.762 -18.999 0.053 1.00 12.04 C ATOM 140 SG CYS A 11 2.026 -20.151 -0.574 1.00 33.22 S ATOM 0 H CYS A 11 0.560 -21.384 1.803 1.00 43.22 H new ATOM 0 HA CYS A 11 -0.874 -18.867 1.441 1.00 22.54 H new ATOM 0 HB2 CYS A 11 0.247 -18.546 -0.794 1.00 12.04 H new ATOM 0 HB3 CYS A 11 1.257 -18.192 0.593 1.00 12.04 H new ATOM 145 N ASN A 12 -1.786 -19.988 -0.893 1.00 23.32 N ATOM 146 CA ASN A 12 -2.693 -20.740 -1.752 1.00 52.22 C ATOM 147 C ASN A 12 -2.049 -21.027 -3.105 1.00 3.20 C ATOM 148 O ASN A 12 -1.354 -20.189 -3.680 1.00 4.34 O ATOM 149 CB ASN A 12 -3.999 -19.967 -1.950 1.00 44.23 C ATOM 150 CG ASN A 12 -5.219 -20.865 -1.880 1.00 43.21 C ATOM 151 OD1 ASN A 12 -5.502 -21.465 -0.844 1.00 34.25 O ATOM 152 ND2 ASN A 12 -5.947 -20.961 -2.986 1.00 50.44 N ATOM 0 H ASN A 12 -1.650 -19.016 -1.171 1.00 23.32 H new ATOM 0 HA ASN A 12 -2.911 -21.690 -1.265 1.00 52.22 H new ATOM 0 HB2 ASN A 12 -4.078 -19.191 -1.188 1.00 44.23 H new ATOM 0 HB3 ASN A 12 -3.977 -19.463 -2.916 1.00 44.23 H new ATOM 0 HD21 ASN A 12 -6.779 -21.551 -2.999 1.00 50.44 H new ATOM 0 HD22 ASN A 12 -5.674 -20.445 -3.822 1.00 50.44 H new ATOM 159 N PRO A 13 -2.284 -22.240 -3.627 1.00 53.43 N ATOM 160 CA PRO A 13 -1.737 -22.665 -4.919 1.00 30.11 C ATOM 161 C PRO A 13 -2.377 -21.928 -6.091 1.00 22.34 C ATOM 162 O PRO A 13 -1.852 -21.937 -7.204 1.00 72.34 O ATOM 163 CB PRO A 13 -2.078 -24.156 -4.975 1.00 20.34 C ATOM 164 CG PRO A 13 -3.269 -24.306 -4.092 1.00 50.23 C ATOM 165 CD PRO A 13 -3.104 -23.289 -2.997 1.00 45.43 C ATOM 0 HA PRO A 13 -0.671 -22.454 -4.999 1.00 30.11 H new ATOM 0 HB2 PRO A 13 -2.298 -24.474 -5.994 1.00 20.34 H new ATOM 0 HB3 PRO A 13 -1.246 -24.766 -4.624 1.00 20.34 H new ATOM 0 HG2 PRO A 13 -4.191 -24.135 -4.648 1.00 50.23 H new ATOM 0 HG3 PRO A 13 -3.326 -25.314 -3.682 1.00 50.23 H new ATOM 0 HD2 PRO A 13 -4.065 -22.900 -2.661 1.00 45.43 H new ATOM 0 HD3 PRO A 13 -2.610 -23.715 -2.124 1.00 45.43 H new ATOM 173 N LYS A 14 -3.513 -21.290 -5.833 1.00 13.03 N ATOM 174 CA LYS A 14 -4.225 -20.546 -6.865 1.00 42.11 C ATOM 175 C LYS A 14 -3.936 -19.052 -6.756 1.00 61.10 C ATOM 176 O LYS A 14 -4.120 -18.303 -7.715 1.00 22.44 O ATOM 177 CB LYS A 14 -5.731 -20.794 -6.755 1.00 61.23 C ATOM 178 CG LYS A 14 -6.099 -22.264 -6.656 1.00 73.44 C ATOM 179 CD LYS A 14 -7.601 -22.471 -6.756 1.00 14.24 C ATOM 180 CE LYS A 14 -8.258 -22.458 -5.383 1.00 43.35 C ATOM 181 NZ LYS A 14 -8.375 -23.828 -4.811 1.00 45.45 N ATOM 0 H LYS A 14 -3.961 -21.273 -4.917 1.00 13.03 H new ATOM 0 HA LYS A 14 -3.875 -20.896 -7.836 1.00 42.11 H new ATOM 0 HB2 LYS A 14 -6.114 -20.272 -5.878 1.00 61.23 H new ATOM 0 HB3 LYS A 14 -6.227 -20.362 -7.624 1.00 61.23 H new ATOM 0 HG2 LYS A 14 -5.601 -22.819 -7.451 1.00 73.44 H new ATOM 0 HG3 LYS A 14 -5.737 -22.668 -5.710 1.00 73.44 H new ATOM 0 HD2 LYS A 14 -8.037 -21.688 -7.377 1.00 14.24 H new ATOM 0 HD3 LYS A 14 -7.806 -23.421 -7.250 1.00 14.24 H new ATOM 0 HE2 LYS A 14 -7.676 -21.831 -4.708 1.00 43.35 H new ATOM 0 HE3 LYS A 14 -9.249 -22.010 -5.459 1.00 43.35 H new ATOM 0 HZ1 LYS A 14 -8.827 -23.776 -3.876 1.00 45.45 H new ATOM 0 HZ2 LYS A 14 -8.952 -24.420 -5.442 1.00 45.45 H new ATOM 0 HZ3 LYS A 14 -7.428 -24.246 -4.715 1.00 45.45 H new ATOM 195 N ASN A 15 -3.481 -18.626 -5.582 1.00 34.10 N ATOM 196 CA ASN A 15 -3.166 -17.221 -5.348 1.00 71.45 C ATOM 197 C ASN A 15 -1.868 -17.079 -4.559 1.00 72.22 C ATOM 198 O ASN A 15 -1.885 -16.952 -3.335 1.00 30.02 O ATOM 199 CB ASN A 15 -4.311 -16.538 -4.597 1.00 64.40 C ATOM 200 CG ASN A 15 -4.226 -15.026 -4.666 1.00 2.24 C ATOM 201 OD1 ASN A 15 -3.176 -14.439 -4.403 1.00 22.32 O ATOM 202 ND2 ASN A 15 -5.335 -14.387 -5.020 1.00 44.21 N ATOM 0 H ASN A 15 -3.322 -19.233 -4.778 1.00 34.10 H new ATOM 0 HA ASN A 15 -3.036 -16.737 -6.316 1.00 71.45 H new ATOM 0 HB2 ASN A 15 -5.263 -16.865 -5.016 1.00 64.40 H new ATOM 0 HB3 ASN A 15 -4.297 -16.853 -3.554 1.00 64.40 H new ATOM 0 HD21 ASN A 15 -5.339 -13.369 -5.083 1.00 44.21 H new ATOM 0 HD22 ASN A 15 -6.183 -14.914 -5.229 1.00 44.21 H new ATOM 209 N ASP A 16 -0.745 -17.101 -5.269 1.00 15.11 N ATOM 210 CA ASP A 16 0.562 -16.973 -4.636 1.00 11.44 C ATOM 211 C ASP A 16 0.849 -15.519 -4.272 1.00 21.34 C ATOM 212 O ASP A 16 1.047 -14.676 -5.147 1.00 13.05 O ATOM 213 CB ASP A 16 1.656 -17.505 -5.563 1.00 12.13 C ATOM 214 CG ASP A 16 3.042 -17.062 -5.137 1.00 13.20 C ATOM 215 OD1 ASP A 16 3.388 -15.887 -5.378 1.00 5.34 O ATOM 216 OD2 ASP A 16 3.780 -17.890 -4.564 1.00 20.50 O ATOM 0 H ASP A 16 -0.714 -17.206 -6.283 1.00 15.11 H new ATOM 0 HA ASP A 16 0.554 -17.564 -3.720 1.00 11.44 H new ATOM 0 HB2 ASP A 16 1.615 -18.594 -5.581 1.00 12.13 H new ATOM 0 HB3 ASP A 16 1.465 -17.162 -6.580 1.00 12.13 H new ATOM 221 N LYS A 17 0.870 -15.233 -2.974 1.00 52.33 N ATOM 222 CA LYS A 17 1.133 -13.882 -2.493 1.00 13.22 C ATOM 223 C LYS A 17 2.476 -13.813 -1.773 1.00 14.43 C ATOM 224 O LYS A 17 2.674 -12.983 -0.885 1.00 54.50 O ATOM 225 CB LYS A 17 0.014 -13.427 -1.553 1.00 0.51 C ATOM 226 CG LYS A 17 -1.312 -13.189 -2.255 1.00 65.04 C ATOM 227 CD LYS A 17 -1.938 -11.871 -1.833 1.00 51.30 C ATOM 228 CE LYS A 17 -2.706 -12.011 -0.528 1.00 20.54 C ATOM 229 NZ LYS A 17 -3.941 -12.826 -0.696 1.00 13.12 N ATOM 0 H LYS A 17 0.708 -15.919 -2.237 1.00 52.33 H new ATOM 0 HA LYS A 17 1.168 -13.216 -3.355 1.00 13.22 H new ATOM 0 HB2 LYS A 17 -0.125 -14.180 -0.777 1.00 0.51 H new ATOM 0 HB3 LYS A 17 0.321 -12.508 -1.054 1.00 0.51 H new ATOM 0 HG2 LYS A 17 -1.159 -13.191 -3.334 1.00 65.04 H new ATOM 0 HG3 LYS A 17 -1.996 -14.007 -2.029 1.00 65.04 H new ATOM 0 HD2 LYS A 17 -1.159 -11.117 -1.719 1.00 51.30 H new ATOM 0 HD3 LYS A 17 -2.610 -11.519 -2.616 1.00 51.30 H new ATOM 0 HE2 LYS A 17 -2.065 -12.473 0.223 1.00 20.54 H new ATOM 0 HE3 LYS A 17 -2.972 -11.022 -0.155 1.00 20.54 H new ATOM 0 HZ1 LYS A 17 -4.583 -12.653 0.104 1.00 13.12 H new ATOM 0 HZ2 LYS A 17 -4.414 -12.561 -1.583 1.00 13.12 H new ATOM 0 HZ3 LYS A 17 -3.690 -13.835 -0.726 1.00 13.12 H new ATOM 243 N CYS A 18 3.396 -14.689 -2.162 1.00 1.45 N ATOM 244 CA CYS A 18 4.721 -14.727 -1.554 1.00 50.34 C ATOM 245 C CYS A 18 5.589 -13.584 -2.072 1.00 5.42 C ATOM 246 O CYS A 18 5.269 -12.952 -3.079 1.00 71.54 O ATOM 247 CB CYS A 18 5.399 -16.068 -1.843 1.00 13.33 C ATOM 248 SG CYS A 18 4.337 -17.517 -1.544 1.00 34.15 S ATOM 0 H CYS A 18 3.249 -15.382 -2.896 1.00 1.45 H new ATOM 0 HA CYS A 18 4.603 -14.612 -0.477 1.00 50.34 H new ATOM 0 HB2 CYS A 18 5.728 -16.080 -2.882 1.00 13.33 H new ATOM 0 HB3 CYS A 18 6.293 -16.152 -1.225 1.00 13.33 H new ATOM 253 N CYS A 19 6.691 -13.323 -1.376 1.00 12.14 N ATOM 254 CA CYS A 19 7.606 -12.257 -1.763 1.00 5.41 C ATOM 255 C CYS A 19 8.977 -12.822 -2.127 1.00 14.44 C ATOM 256 O CYS A 19 9.166 -14.037 -2.174 1.00 54.32 O ATOM 257 CB CYS A 19 7.747 -11.239 -0.629 1.00 32.32 C ATOM 258 SG CYS A 19 7.544 -9.507 -1.155 1.00 4.04 S ATOM 0 H CYS A 19 6.971 -13.836 -0.540 1.00 12.14 H new ATOM 0 HA CYS A 19 7.193 -11.759 -2.640 1.00 5.41 H new ATOM 0 HB2 CYS A 19 7.008 -11.463 0.140 1.00 32.32 H new ATOM 0 HB3 CYS A 19 8.729 -11.356 -0.171 1.00 32.32 H new ATOM 263 N ALA A 20 9.929 -11.931 -2.382 1.00 40.41 N ATOM 264 CA ALA A 20 11.282 -12.340 -2.739 1.00 12.40 C ATOM 265 C ALA A 20 11.268 -13.326 -3.902 1.00 43.42 C ATOM 266 O ALA A 20 12.152 -14.174 -4.019 1.00 54.22 O ATOM 267 CB ALA A 20 11.984 -12.950 -1.535 1.00 35.30 C ATOM 0 H ALA A 20 9.789 -10.921 -2.348 1.00 40.41 H new ATOM 0 HA ALA A 20 11.832 -11.454 -3.055 1.00 12.40 H new ATOM 0 HB1 ALA A 20 12.993 -13.251 -1.816 1.00 35.30 H new ATOM 0 HB2 ALA A 20 12.035 -12.214 -0.732 1.00 35.30 H new ATOM 0 HB3 ALA A 20 11.427 -13.822 -1.193 1.00 35.30 H new ATOM 273 N ASN A 21 10.260 -13.208 -4.760 1.00 32.12 N ATOM 274 CA ASN A 21 10.131 -14.091 -5.914 1.00 10.33 C ATOM 275 C ASN A 21 9.987 -15.544 -5.473 1.00 61.33 C ATOM 276 O ASN A 21 10.411 -16.463 -6.177 1.00 0.54 O ATOM 277 CB ASN A 21 11.345 -13.942 -6.833 1.00 73.44 C ATOM 278 CG ASN A 21 11.845 -12.512 -6.905 1.00 32.53 C ATOM 279 OD1 ASN A 21 11.156 -11.627 -7.411 1.00 52.30 O ATOM 280 ND2 ASN A 21 13.050 -12.281 -6.396 1.00 73.25 N ATOM 0 H ASN A 21 9.521 -12.510 -4.678 1.00 32.12 H new ATOM 0 HA ASN A 21 9.232 -13.806 -6.461 1.00 10.33 H new ATOM 0 HB2 ASN A 21 12.148 -14.587 -6.477 1.00 73.44 H new ATOM 0 HB3 ASN A 21 11.083 -14.283 -7.835 1.00 73.44 H new ATOM 0 HD21 ASN A 21 13.439 -11.338 -6.415 1.00 73.25 H new ATOM 0 HD22 ASN A 21 13.586 -13.046 -5.986 1.00 73.25 H new ATOM 287 N LEU A 22 9.386 -15.746 -4.306 1.00 23.31 N ATOM 288 CA LEU A 22 9.185 -17.088 -3.771 1.00 22.50 C ATOM 289 C LEU A 22 8.163 -17.858 -4.601 1.00 53.00 C ATOM 290 O LEU A 22 7.631 -17.342 -5.584 1.00 72.12 O ATOM 291 CB LEU A 22 8.725 -17.015 -2.314 1.00 54.52 C ATOM 292 CG LEU A 22 9.812 -16.717 -1.281 1.00 13.11 C ATOM 293 CD1 LEU A 22 9.218 -16.016 -0.069 1.00 4.13 C ATOM 294 CD2 LEU A 22 10.518 -17.999 -0.865 1.00 72.22 C ATOM 0 H LEU A 22 9.029 -14.998 -3.712 1.00 23.31 H new ATOM 0 HA LEU A 22 10.137 -17.617 -3.818 1.00 22.50 H new ATOM 0 HB2 LEU A 22 7.956 -16.246 -2.235 1.00 54.52 H new ATOM 0 HB3 LEU A 22 8.255 -17.964 -2.054 1.00 54.52 H new ATOM 0 HG LEU A 22 10.547 -16.053 -1.736 1.00 13.11 H new ATOM 0 HD11 LEU A 22 10.006 -15.812 0.656 1.00 4.13 H new ATOM 0 HD12 LEU A 22 8.759 -15.078 -0.380 1.00 4.13 H new ATOM 0 HD13 LEU A 22 8.462 -16.656 0.387 1.00 4.13 H new ATOM 0 HD21 LEU A 22 11.288 -17.768 -0.129 1.00 72.22 H new ATOM 0 HD22 LEU A 22 9.795 -18.688 -0.429 1.00 72.22 H new ATOM 0 HD23 LEU A 22 10.978 -18.461 -1.739 1.00 72.22 H new ATOM 306 N VAL A 23 7.890 -19.095 -4.197 1.00 44.22 N ATOM 307 CA VAL A 23 6.929 -19.935 -4.901 1.00 51.34 C ATOM 308 C VAL A 23 5.985 -20.627 -3.925 1.00 13.33 C ATOM 309 O VAL A 23 6.387 -21.024 -2.831 1.00 1.43 O ATOM 310 CB VAL A 23 7.637 -21.002 -5.757 1.00 52.34 C ATOM 311 CG1 VAL A 23 8.547 -21.862 -4.894 1.00 13.13 C ATOM 312 CG2 VAL A 23 6.616 -21.860 -6.490 1.00 2.50 C ATOM 0 H VAL A 23 8.321 -19.537 -3.385 1.00 44.22 H new ATOM 0 HA VAL A 23 6.354 -19.278 -5.554 1.00 51.34 H new ATOM 0 HB VAL A 23 8.253 -20.496 -6.500 1.00 52.34 H new ATOM 0 HG11 VAL A 23 9.038 -22.610 -5.516 1.00 13.13 H new ATOM 0 HG12 VAL A 23 9.300 -21.233 -4.420 1.00 13.13 H new ATOM 0 HG13 VAL A 23 7.956 -22.361 -4.126 1.00 13.13 H new ATOM 0 HG21 VAL A 23 7.133 -22.609 -7.090 1.00 2.50 H new ATOM 0 HG22 VAL A 23 5.972 -22.358 -5.765 1.00 2.50 H new ATOM 0 HG23 VAL A 23 6.010 -21.229 -7.141 1.00 2.50 H new ATOM 322 N CYS A 24 4.726 -20.769 -4.327 1.00 43.11 N ATOM 323 CA CYS A 24 3.723 -21.413 -3.488 1.00 70.23 C ATOM 324 C CYS A 24 3.553 -22.880 -3.873 1.00 21.20 C ATOM 325 O CYS A 24 2.825 -23.206 -4.811 1.00 25.53 O ATOM 326 CB CYS A 24 2.383 -20.685 -3.609 1.00 1.43 C ATOM 327 SG CYS A 24 1.248 -20.981 -2.215 1.00 74.24 S ATOM 0 H CYS A 24 4.376 -20.446 -5.229 1.00 43.11 H new ATOM 0 HA CYS A 24 4.064 -21.363 -2.454 1.00 70.23 H new ATOM 0 HB2 CYS A 24 2.569 -19.614 -3.691 1.00 1.43 H new ATOM 0 HB3 CYS A 24 1.895 -20.995 -4.533 1.00 1.43 H new ATOM 332 N SER A 25 4.230 -23.760 -3.142 1.00 35.13 N ATOM 333 CA SER A 25 4.157 -25.192 -3.408 1.00 13.02 C ATOM 334 C SER A 25 2.725 -25.699 -3.262 1.00 63.51 C ATOM 335 O SER A 25 2.118 -25.581 -2.198 1.00 23.12 O ATOM 336 CB SER A 25 5.080 -25.956 -2.457 1.00 62.54 C ATOM 337 OG SER A 25 4.804 -27.346 -2.486 1.00 64.23 O ATOM 0 H SER A 25 4.835 -23.506 -2.361 1.00 35.13 H new ATOM 0 HA SER A 25 4.482 -25.363 -4.434 1.00 13.02 H new ATOM 0 HB2 SER A 25 6.119 -25.782 -2.736 1.00 62.54 H new ATOM 0 HB3 SER A 25 4.955 -25.578 -1.442 1.00 62.54 H new ATOM 0 HG SER A 25 5.504 -27.829 -1.999 1.00 64.23 H new ATOM 343 N SER A 26 2.192 -26.265 -4.340 1.00 61.32 N ATOM 344 CA SER A 26 0.831 -26.788 -4.335 1.00 52.00 C ATOM 345 C SER A 26 0.725 -28.018 -3.439 1.00 35.03 C ATOM 346 O SER A 26 -0.373 -28.486 -3.133 1.00 43.42 O ATOM 347 CB SER A 26 0.392 -27.140 -5.758 1.00 33.13 C ATOM 348 OG SER A 26 -0.392 -26.103 -6.321 1.00 14.31 O ATOM 0 H SER A 26 2.682 -26.373 -5.228 1.00 61.32 H new ATOM 0 HA SER A 26 0.172 -26.015 -3.940 1.00 52.00 H new ATOM 0 HB2 SER A 26 1.270 -27.315 -6.380 1.00 33.13 H new ATOM 0 HB3 SER A 26 -0.180 -28.068 -5.746 1.00 33.13 H new ATOM 0 HG SER A 26 -0.658 -26.351 -7.231 1.00 14.31 H new ATOM 354 N LYS A 27 1.873 -28.538 -3.020 1.00 63.11 N ATOM 355 CA LYS A 27 1.913 -29.713 -2.158 1.00 34.13 C ATOM 356 C LYS A 27 1.968 -29.308 -0.688 1.00 54.12 C ATOM 357 O LYS A 27 1.036 -29.570 0.074 1.00 63.13 O ATOM 358 CB LYS A 27 3.122 -30.585 -2.503 1.00 43.51 C ATOM 359 CG LYS A 27 2.957 -32.041 -2.104 1.00 54.25 C ATOM 360 CD LYS A 27 2.216 -32.830 -3.171 1.00 62.11 C ATOM 361 CE LYS A 27 1.363 -33.930 -2.559 1.00 31.14 C ATOM 362 NZ LYS A 27 1.169 -35.069 -3.498 1.00 31.42 N ATOM 0 H LYS A 27 2.790 -28.164 -3.264 1.00 63.11 H new ATOM 0 HA LYS A 27 1.001 -30.286 -2.326 1.00 34.13 H new ATOM 0 HB2 LYS A 27 3.304 -30.530 -3.576 1.00 43.51 H new ATOM 0 HB3 LYS A 27 4.005 -30.179 -2.008 1.00 43.51 H new ATOM 0 HG2 LYS A 27 3.937 -32.487 -1.936 1.00 54.25 H new ATOM 0 HG3 LYS A 27 2.413 -32.102 -1.161 1.00 54.25 H new ATOM 0 HD2 LYS A 27 1.583 -32.157 -3.749 1.00 62.11 H new ATOM 0 HD3 LYS A 27 2.933 -33.268 -3.865 1.00 62.11 H new ATOM 0 HE2 LYS A 27 1.835 -34.290 -1.645 1.00 31.14 H new ATOM 0 HE3 LYS A 27 0.392 -33.522 -2.277 1.00 31.14 H new ATOM 0 HZ1 LYS A 27 0.582 -35.798 -3.043 1.00 31.42 H new ATOM 0 HZ2 LYS A 27 0.695 -34.731 -4.360 1.00 31.42 H new ATOM 0 HZ3 LYS A 27 2.094 -35.475 -3.747 1.00 31.42 H new ATOM 376 N HIS A 28 3.064 -28.666 -0.297 1.00 32.14 N ATOM 377 CA HIS A 28 3.239 -28.223 1.082 1.00 53.41 C ATOM 378 C HIS A 28 2.350 -27.020 1.383 1.00 53.44 C ATOM 379 O HIS A 28 2.093 -26.699 2.543 1.00 15.30 O ATOM 380 CB HIS A 28 4.703 -27.868 1.344 1.00 53.41 C ATOM 381 CG HIS A 28 5.439 -28.906 2.132 1.00 30.54 C ATOM 382 ND1 HIS A 28 4.900 -29.538 3.234 1.00 41.43 N ATOM 383 CD2 HIS A 28 6.679 -29.425 1.973 1.00 70.22 C ATOM 384 CE1 HIS A 28 5.777 -30.398 3.718 1.00 24.23 C ATOM 385 NE2 HIS A 28 6.865 -30.350 2.971 1.00 43.31 N ATOM 0 H HIS A 28 3.844 -28.441 -0.915 1.00 32.14 H new ATOM 0 HA HIS A 28 2.948 -29.042 1.740 1.00 53.41 H new ATOM 0 HB2 HIS A 28 5.209 -27.722 0.390 1.00 53.41 H new ATOM 0 HB3 HIS A 28 4.748 -26.919 1.878 1.00 53.41 H new ATOM 0 HD2 HIS A 28 7.390 -29.161 1.204 1.00 70.22 H new ATOM 0 HE1 HIS A 28 5.630 -31.033 4.579 1.00 24.23 H new ATOM 0 HE2 HIS A 28 7.706 -30.909 3.112 1.00 43.31 H new ATOM 393 N LYS A 29 1.883 -26.357 0.330 1.00 43.14 N ATOM 394 CA LYS A 29 1.023 -25.190 0.479 1.00 13.55 C ATOM 395 C LYS A 29 1.711 -24.109 1.307 1.00 41.43 C ATOM 396 O LYS A 29 1.215 -23.710 2.360 1.00 32.24 O ATOM 397 CB LYS A 29 -0.300 -25.587 1.139 1.00 1.32 C ATOM 398 CG LYS A 29 -0.934 -26.826 0.532 1.00 30.35 C ATOM 399 CD LYS A 29 -2.365 -27.010 1.009 1.00 72.44 C ATOM 400 CE LYS A 29 -2.418 -27.398 2.478 1.00 12.25 C ATOM 401 NZ LYS A 29 -3.678 -26.941 3.127 1.00 34.43 N ATOM 0 H LYS A 29 2.087 -26.609 -0.637 1.00 43.14 H new ATOM 0 HA LYS A 29 0.821 -24.789 -0.514 1.00 13.55 H new ATOM 0 HB2 LYS A 29 -0.129 -25.760 2.201 1.00 1.32 H new ATOM 0 HB3 LYS A 29 -1.000 -24.755 1.060 1.00 1.32 H new ATOM 0 HG2 LYS A 29 -0.919 -26.748 -0.555 1.00 30.35 H new ATOM 0 HG3 LYS A 29 -0.345 -27.704 0.797 1.00 30.35 H new ATOM 0 HD2 LYS A 29 -2.922 -26.086 0.856 1.00 72.44 H new ATOM 0 HD3 LYS A 29 -2.853 -27.780 0.411 1.00 72.44 H new ATOM 0 HE2 LYS A 29 -2.334 -28.481 2.571 1.00 12.25 H new ATOM 0 HE3 LYS A 29 -1.564 -26.966 2.999 1.00 12.25 H new ATOM 0 HZ1 LYS A 29 -3.676 -27.225 4.128 1.00 34.43 H new ATOM 0 HZ2 LYS A 29 -3.747 -25.905 3.061 1.00 34.43 H new ATOM 0 HZ3 LYS A 29 -4.493 -27.373 2.646 1.00 34.43 H new ATOM 415 N TRP A 30 2.854 -23.638 0.822 1.00 43.20 N ATOM 416 CA TRP A 30 3.610 -22.601 1.517 1.00 74.32 C ATOM 417 C TRP A 30 4.576 -21.902 0.567 1.00 75.24 C ATOM 418 O TRP A 30 4.791 -22.353 -0.559 1.00 33.42 O ATOM 419 CB TRP A 30 4.379 -23.204 2.693 1.00 31.13 C ATOM 420 CG TRP A 30 5.419 -24.199 2.276 1.00 73.53 C ATOM 421 CD1 TRP A 30 5.629 -24.686 1.017 1.00 34.20 C ATOM 422 CD2 TRP A 30 6.389 -24.830 3.119 1.00 74.51 C ATOM 423 NE1 TRP A 30 6.671 -25.582 1.027 1.00 14.11 N ATOM 424 CE2 TRP A 30 7.154 -25.687 2.304 1.00 24.32 C ATOM 425 CE3 TRP A 30 6.686 -24.754 4.482 1.00 1.41 C ATOM 426 CZ2 TRP A 30 8.196 -26.461 2.810 1.00 12.30 C ATOM 427 CZ3 TRP A 30 7.720 -25.522 4.983 1.00 72.14 C ATOM 428 CH2 TRP A 30 8.465 -26.366 4.148 1.00 1.23 C ATOM 0 H TRP A 30 3.278 -23.957 -0.049 1.00 43.20 H new ATOM 0 HA TRP A 30 2.903 -21.862 1.894 1.00 74.32 H new ATOM 0 HB2 TRP A 30 4.858 -22.402 3.254 1.00 31.13 H new ATOM 0 HB3 TRP A 30 3.674 -23.688 3.369 1.00 31.13 H new ATOM 0 HD1 TRP A 30 5.060 -24.408 0.142 1.00 34.20 H new ATOM 0 HE1 TRP A 30 7.027 -26.087 0.215 1.00 14.11 H new ATOM 0 HE3 TRP A 30 6.117 -24.106 5.133 1.00 1.41 H new ATOM 0 HZ2 TRP A 30 8.771 -27.113 2.169 1.00 12.30 H new ATOM 0 HZ3 TRP A 30 7.958 -25.471 6.035 1.00 72.14 H new ATOM 0 HH2 TRP A 30 9.268 -26.953 4.569 1.00 1.23 H new ATOM 439 N CYS A 31 5.156 -20.798 1.026 1.00 73.42 N ATOM 440 CA CYS A 31 6.099 -20.036 0.217 1.00 70.44 C ATOM 441 C CYS A 31 7.507 -20.612 0.336 1.00 2.13 C ATOM 442 O CYS A 31 8.289 -20.197 1.192 1.00 43.12 O ATOM 443 CB CYS A 31 6.099 -18.567 0.644 1.00 73.24 C ATOM 444 SG CYS A 31 4.481 -17.745 0.478 1.00 24.22 S ATOM 0 H CYS A 31 4.989 -20.411 1.955 1.00 73.42 H new ATOM 0 HA CYS A 31 5.784 -20.104 -0.824 1.00 70.44 H new ATOM 0 HB2 CYS A 31 6.423 -18.502 1.683 1.00 73.24 H new ATOM 0 HB3 CYS A 31 6.833 -18.026 0.046 1.00 73.24 H new ATOM 449 N LYS A 32 7.824 -21.570 -0.528 1.00 31.43 N ATOM 450 CA LYS A 32 9.137 -22.203 -0.522 1.00 25.13 C ATOM 451 C LYS A 32 10.005 -21.666 -1.655 1.00 45.21 C ATOM 452 O LYS A 32 9.581 -20.799 -2.418 1.00 75.31 O ATOM 453 CB LYS A 32 8.996 -23.722 -0.650 1.00 15.53 C ATOM 454 CG LYS A 32 8.303 -24.162 -1.928 1.00 31.14 C ATOM 455 CD LYS A 32 9.288 -24.759 -2.919 1.00 30.25 C ATOM 456 CE LYS A 32 9.840 -26.087 -2.424 1.00 23.22 C ATOM 457 NZ LYS A 32 8.758 -27.079 -2.174 1.00 63.41 N ATOM 0 H LYS A 32 7.188 -21.925 -1.242 1.00 31.43 H new ATOM 0 HA LYS A 32 9.621 -21.968 0.426 1.00 25.13 H new ATOM 0 HB2 LYS A 32 9.986 -24.175 -0.609 1.00 15.53 H new ATOM 0 HB3 LYS A 32 8.437 -24.100 0.206 1.00 15.53 H new ATOM 0 HG2 LYS A 32 7.533 -24.897 -1.691 1.00 31.14 H new ATOM 0 HG3 LYS A 32 7.800 -23.309 -2.383 1.00 31.14 H new ATOM 0 HD2 LYS A 32 8.796 -24.904 -3.881 1.00 30.25 H new ATOM 0 HD3 LYS A 32 10.109 -24.061 -3.083 1.00 30.25 H new ATOM 0 HE2 LYS A 32 10.537 -26.488 -3.160 1.00 23.22 H new ATOM 0 HE3 LYS A 32 10.404 -25.926 -1.505 1.00 23.22 H new ATOM 0 HZ1 LYS A 32 9.168 -28.033 -2.121 1.00 63.41 H new ATOM 0 HZ2 LYS A 32 8.283 -26.856 -1.276 1.00 63.41 H new ATOM 0 HZ3 LYS A 32 8.067 -27.042 -2.950 1.00 63.41 H new ATOM 471 N GLY A 33 11.224 -22.187 -1.760 1.00 21.41 N ATOM 472 CA GLY A 33 12.132 -21.749 -2.804 1.00 14.41 C ATOM 473 C GLY A 33 12.047 -22.613 -4.046 1.00 41.34 C ATOM 474 O GLY A 33 12.257 -23.824 -3.985 1.00 33.40 O ATOM 0 H GLY A 33 11.599 -22.905 -1.140 1.00 21.41 H new ATOM 0 HA2 GLY A 33 11.906 -20.716 -3.068 1.00 14.41 H new ATOM 0 HA3 GLY A 33 13.153 -21.765 -2.423 1.00 14.41 H new ATOM 478 N LYS A 34 11.737 -21.990 -5.178 1.00 45.34 N ATOM 479 CA LYS A 34 11.625 -22.709 -6.442 1.00 12.31 C ATOM 480 C LYS A 34 12.987 -23.222 -6.899 1.00 54.43 C ATOM 481 O LYS A 34 13.853 -22.442 -7.298 1.00 21.13 O ATOM 482 CB LYS A 34 11.022 -21.801 -7.517 1.00 24.12 C ATOM 483 CG LYS A 34 10.359 -22.561 -8.652 1.00 41.25 C ATOM 484 CD LYS A 34 9.272 -21.733 -9.317 1.00 41.12 C ATOM 485 CE LYS A 34 9.844 -20.485 -9.972 1.00 11.32 C ATOM 486 NZ LYS A 34 8.873 -19.855 -10.909 1.00 72.51 N ATOM 0 H LYS A 34 11.559 -20.988 -5.246 1.00 45.34 H new ATOM 0 HA LYS A 34 10.968 -23.565 -6.288 1.00 12.31 H new ATOM 0 HB2 LYS A 34 10.287 -21.142 -7.054 1.00 24.12 H new ATOM 0 HB3 LYS A 34 11.807 -21.165 -7.926 1.00 24.12 H new ATOM 0 HG2 LYS A 34 11.109 -22.840 -9.392 1.00 41.25 H new ATOM 0 HG3 LYS A 34 9.930 -23.487 -8.269 1.00 41.25 H new ATOM 0 HD2 LYS A 34 8.761 -22.337 -10.067 1.00 41.12 H new ATOM 0 HD3 LYS A 34 8.526 -21.447 -8.575 1.00 41.12 H new ATOM 0 HE2 LYS A 34 10.124 -19.766 -9.202 1.00 11.32 H new ATOM 0 HE3 LYS A 34 10.755 -20.743 -10.512 1.00 11.32 H new ATOM 0 HZ1 LYS A 34 9.301 -19.008 -11.335 1.00 72.51 H new ATOM 0 HZ2 LYS A 34 8.625 -20.532 -11.659 1.00 72.51 H new ATOM 0 HZ3 LYS A 34 8.014 -19.585 -10.389 1.00 72.51 H new ATOM 500 N LEU A 35 13.168 -24.536 -6.841 1.00 64.21 N ATOM 501 CA LEU A 35 14.425 -25.154 -7.251 1.00 51.42 C ATOM 502 C LEU A 35 14.701 -24.897 -8.729 1.00 50.21 C ATOM 503 O LEU A 35 15.841 -24.654 -9.125 1.00 52.11 O ATOM 504 CB LEU A 35 14.388 -26.659 -6.981 1.00 41.15 C ATOM 505 CG LEU A 35 13.656 -27.509 -8.020 1.00 60.23 C ATOM 506 CD1 LEU A 35 13.842 -28.989 -7.726 1.00 23.53 C ATOM 507 CD2 LEU A 35 12.177 -27.152 -8.055 1.00 61.41 C ATOM 0 H LEU A 35 12.461 -25.195 -6.514 1.00 64.21 H new ATOM 0 HA LEU A 35 15.229 -24.706 -6.667 1.00 51.42 H new ATOM 0 HB2 LEU A 35 15.414 -27.019 -6.903 1.00 41.15 H new ATOM 0 HB3 LEU A 35 13.919 -26.823 -6.011 1.00 41.15 H new ATOM 0 HG LEU A 35 14.084 -27.298 -9.000 1.00 60.23 H new ATOM 0 HD11 LEU A 35 13.314 -29.578 -8.476 1.00 23.53 H new ATOM 0 HD12 LEU A 35 14.904 -29.235 -7.753 1.00 23.53 H new ATOM 0 HD13 LEU A 35 13.442 -29.217 -6.738 1.00 23.53 H new ATOM 0 HD21 LEU A 35 11.672 -27.767 -8.800 1.00 61.41 H new ATOM 0 HD22 LEU A 35 11.736 -27.334 -7.075 1.00 61.41 H new ATOM 0 HD23 LEU A 35 12.063 -26.100 -8.315 1.00 61.41 H new TER 519 LEU A 35