USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=5 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+ -143:sc= 0.0137 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0849 K(o=-0.085,f=-0.75) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.23) USER MOD Single : A 25 SER OG : rot 178:sc= 0.246 USER MOD Single : A 26 SER OG : rot 180:sc= 0.133 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.005) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.00287 (180deg=-0.0848) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.577 0.311 1.146 1.00 64.43 N ATOM 2 CA GLY A 1 2.773 -0.151 0.464 1.00 11.42 C ATOM 3 C GLY A 1 2.575 -1.494 -0.208 1.00 72.45 C ATOM 4 O GLY A 1 1.490 -1.793 -0.705 1.00 72.41 O ATOM 0 H1 GLY A 1 1.493 1.342 1.040 1.00 64.43 H new ATOM 0 H2 GLY A 1 0.741 -0.149 0.731 1.00 64.43 H new ATOM 0 H3 GLY A 1 1.639 0.071 2.156 1.00 64.43 H new ATOM 0 HA2 GLY A 1 3.069 0.585 -0.283 1.00 11.42 H new ATOM 0 HA3 GLY A 1 3.591 -0.224 1.181 1.00 11.42 H new ATOM 8 N ASN A 2 3.627 -2.306 -0.226 1.00 70.32 N ATOM 9 CA ASN A 2 3.564 -3.625 -0.845 1.00 63.25 C ATOM 10 C ASN A 2 2.906 -4.635 0.090 1.00 2.22 C ATOM 11 O ASN A 2 2.826 -4.416 1.299 1.00 4.11 O ATOM 12 CB ASN A 2 4.968 -4.102 -1.222 1.00 65.11 C ATOM 13 CG ASN A 2 4.957 -5.069 -2.390 1.00 52.25 C ATOM 14 OD1 ASN A 2 4.218 -4.882 -3.358 1.00 5.13 O ATOM 15 ND2 ASN A 2 5.777 -6.109 -2.305 1.00 63.43 N ATOM 0 H ASN A 2 4.533 -2.074 0.181 1.00 70.32 H new ATOM 0 HA ASN A 2 2.959 -3.546 -1.748 1.00 63.25 H new ATOM 0 HB2 ASN A 2 5.586 -3.240 -1.474 1.00 65.11 H new ATOM 0 HB3 ASN A 2 5.429 -4.584 -0.360 1.00 65.11 H new ATOM 0 HD21 ASN A 2 5.813 -6.793 -3.061 1.00 63.43 H new ATOM 0 HD22 ASN A 2 6.372 -6.224 -1.484 1.00 63.43 H new ATOM 22 N ASP A 3 2.437 -5.740 -0.477 1.00 60.52 N ATOM 23 CA ASP A 3 1.787 -6.785 0.306 1.00 63.23 C ATOM 24 C ASP A 3 2.213 -8.169 -0.175 1.00 51.13 C ATOM 25 O ASP A 3 1.840 -8.601 -1.267 1.00 12.55 O ATOM 26 CB ASP A 3 0.267 -6.647 0.218 1.00 14.42 C ATOM 27 CG ASP A 3 -0.451 -7.475 1.265 1.00 35.50 C ATOM 28 OD1 ASP A 3 0.226 -8.242 1.981 1.00 13.23 O ATOM 29 OD2 ASP A 3 -1.691 -7.359 1.367 1.00 2.53 O ATOM 0 H ASP A 3 2.494 -5.936 -1.476 1.00 60.52 H new ATOM 0 HA ASP A 3 2.095 -6.670 1.345 1.00 63.23 H new ATOM 0 HB2 ASP A 3 -0.007 -5.599 0.337 1.00 14.42 H new ATOM 0 HB3 ASP A 3 -0.066 -6.953 -0.774 1.00 14.42 H new ATOM 34 N CYS A 4 2.997 -8.860 0.646 1.00 50.35 N ATOM 35 CA CYS A 4 3.475 -10.194 0.304 1.00 4.13 C ATOM 36 C CYS A 4 3.840 -10.979 1.561 1.00 34.01 C ATOM 37 O CYS A 4 3.764 -10.459 2.675 1.00 3.02 O ATOM 38 CB CYS A 4 4.689 -10.102 -0.622 1.00 43.34 C ATOM 39 SG CYS A 4 5.938 -8.885 -0.093 1.00 72.15 S ATOM 0 H CYS A 4 3.315 -8.518 1.553 1.00 50.35 H new ATOM 0 HA CYS A 4 2.671 -10.719 -0.212 1.00 4.13 H new ATOM 0 HB2 CYS A 4 5.158 -11.084 -0.687 1.00 43.34 H new ATOM 0 HB3 CYS A 4 4.349 -9.845 -1.625 1.00 43.34 H new ATOM 44 N LEU A 5 4.235 -12.234 1.374 1.00 13.53 N ATOM 45 CA LEU A 5 4.611 -13.092 2.492 1.00 4.44 C ATOM 46 C LEU A 5 6.095 -13.443 2.433 1.00 35.14 C ATOM 47 O LEU A 5 6.740 -13.283 1.398 1.00 21.34 O ATOM 48 CB LEU A 5 3.772 -14.370 2.485 1.00 31.20 C ATOM 49 CG LEU A 5 2.256 -14.177 2.436 1.00 72.52 C ATOM 50 CD1 LEU A 5 1.570 -15.453 1.972 1.00 63.15 C ATOM 51 CD2 LEU A 5 1.728 -13.752 3.798 1.00 12.50 C ATOM 0 H LEU A 5 4.303 -12.680 0.459 1.00 13.53 H new ATOM 0 HA LEU A 5 4.422 -12.547 3.417 1.00 4.44 H new ATOM 0 HB2 LEU A 5 4.070 -14.971 1.626 1.00 31.20 H new ATOM 0 HB3 LEU A 5 4.016 -14.946 3.378 1.00 31.20 H new ATOM 0 HG LEU A 5 2.033 -13.387 1.719 1.00 72.52 H new ATOM 0 HD11 LEU A 5 0.492 -15.297 1.943 1.00 63.15 H new ATOM 0 HD12 LEU A 5 1.925 -15.715 0.975 1.00 63.15 H new ATOM 0 HD13 LEU A 5 1.801 -16.263 2.664 1.00 63.15 H new ATOM 0 HD21 LEU A 5 0.647 -13.619 3.744 1.00 12.50 H new ATOM 0 HD22 LEU A 5 1.963 -14.520 4.535 1.00 12.50 H new ATOM 0 HD23 LEU A 5 2.195 -12.812 4.092 1.00 12.50 H new ATOM 63 N GLY A 6 6.628 -13.925 3.552 1.00 64.02 N ATOM 64 CA GLY A 6 8.031 -14.294 3.605 1.00 11.23 C ATOM 65 C GLY A 6 8.267 -15.736 3.203 1.00 31.24 C ATOM 66 O GLY A 6 7.502 -16.304 2.423 1.00 44.21 O ATOM 0 H GLY A 6 6.114 -14.066 4.422 1.00 64.02 H new ATOM 0 HA2 GLY A 6 8.601 -13.639 2.946 1.00 11.23 H new ATOM 0 HA3 GLY A 6 8.407 -14.136 4.616 1.00 11.23 H new ATOM 70 N PHE A 7 9.329 -16.331 3.736 1.00 22.01 N ATOM 71 CA PHE A 7 9.666 -17.716 3.426 1.00 14.33 C ATOM 72 C PHE A 7 8.921 -18.676 4.349 1.00 1.14 C ATOM 73 O PHE A 7 8.601 -18.336 5.488 1.00 4.24 O ATOM 74 CB PHE A 7 11.174 -17.937 3.552 1.00 44.52 C ATOM 75 CG PHE A 7 11.764 -18.709 2.407 1.00 65.02 C ATOM 76 CD1 PHE A 7 11.470 -20.052 2.235 1.00 40.01 C ATOM 77 CD2 PHE A 7 12.614 -18.092 1.503 1.00 61.35 C ATOM 78 CE1 PHE A 7 12.011 -20.766 1.182 1.00 0.31 C ATOM 79 CE2 PHE A 7 13.158 -18.801 0.448 1.00 53.33 C ATOM 80 CZ PHE A 7 12.857 -20.139 0.288 1.00 72.31 C ATOM 0 H PHE A 7 9.971 -15.876 4.385 1.00 22.01 H new ATOM 0 HA PHE A 7 9.361 -17.917 2.399 1.00 14.33 H new ATOM 0 HB2 PHE A 7 11.670 -16.969 3.621 1.00 44.52 H new ATOM 0 HB3 PHE A 7 11.379 -18.468 4.482 1.00 44.52 H new ATOM 0 HD1 PHE A 7 10.810 -20.547 2.932 1.00 40.01 H new ATOM 0 HD2 PHE A 7 12.854 -17.046 1.624 1.00 61.35 H new ATOM 0 HE1 PHE A 7 11.773 -21.812 1.059 1.00 0.31 H new ATOM 0 HE2 PHE A 7 13.818 -18.308 -0.251 1.00 53.33 H new ATOM 0 HZ PHE A 7 13.282 -20.694 -0.535 1.00 72.31 H new ATOM 90 N TRP A 8 8.648 -19.875 3.849 1.00 25.51 N ATOM 91 CA TRP A 8 7.941 -20.885 4.628 1.00 30.42 C ATOM 92 C TRP A 8 6.641 -20.324 5.194 1.00 21.50 C ATOM 93 O TRP A 8 6.190 -20.735 6.263 1.00 25.33 O ATOM 94 CB TRP A 8 8.828 -21.396 5.765 1.00 60.23 C ATOM 95 CG TRP A 8 10.237 -21.679 5.338 1.00 75.13 C ATOM 96 CD1 TRP A 8 11.368 -21.054 5.778 1.00 12.33 C ATOM 97 CD2 TRP A 8 10.663 -22.659 4.384 1.00 14.43 C ATOM 98 NE1 TRP A 8 12.472 -21.585 5.156 1.00 34.41 N ATOM 99 CE2 TRP A 8 12.066 -22.572 4.297 1.00 31.20 C ATOM 100 CE3 TRP A 8 9.996 -23.602 3.598 1.00 52.43 C ATOM 101 CZ2 TRP A 8 12.811 -23.392 3.454 1.00 72.13 C ATOM 102 CZ3 TRP A 8 10.737 -24.414 2.761 1.00 75.50 C ATOM 103 CH2 TRP A 8 12.132 -24.306 2.695 1.00 60.33 C ATOM 0 H TRP A 8 8.905 -20.172 2.908 1.00 25.51 H new ATOM 0 HA TRP A 8 7.699 -21.715 3.965 1.00 30.42 H new ATOM 0 HB2 TRP A 8 8.840 -20.658 6.567 1.00 60.23 H new ATOM 0 HB3 TRP A 8 8.391 -22.306 6.176 1.00 60.23 H new ATOM 0 HD1 TRP A 8 11.392 -20.259 6.508 1.00 12.33 H new ATOM 0 HE1 TRP A 8 13.437 -21.292 5.309 1.00 34.41 H new ATOM 0 HE3 TRP A 8 8.921 -23.695 3.644 1.00 52.43 H new ATOM 0 HZ2 TRP A 8 13.887 -23.310 3.401 1.00 72.13 H new ATOM 0 HZ3 TRP A 8 10.232 -25.145 2.147 1.00 75.50 H new ATOM 0 HH2 TRP A 8 12.683 -24.957 2.032 1.00 60.33 H new ATOM 114 N SER A 9 6.043 -19.384 4.470 1.00 34.01 N ATOM 115 CA SER A 9 4.795 -18.764 4.903 1.00 65.33 C ATOM 116 C SER A 9 3.600 -19.405 4.205 1.00 73.41 C ATOM 117 O SER A 9 3.519 -19.421 2.977 1.00 14.31 O ATOM 118 CB SER A 9 4.822 -17.262 4.617 1.00 50.44 C ATOM 119 OG SER A 9 4.045 -16.549 5.563 1.00 53.51 O ATOM 0 H SER A 9 6.402 -19.035 3.581 1.00 34.01 H new ATOM 0 HA SER A 9 4.693 -18.920 5.977 1.00 65.33 H new ATOM 0 HB2 SER A 9 5.851 -16.902 4.642 1.00 50.44 H new ATOM 0 HB3 SER A 9 4.442 -17.073 3.613 1.00 50.44 H new ATOM 0 HG SER A 9 4.205 -15.588 5.460 1.00 53.51 H new ATOM 125 N ALA A 10 2.673 -19.934 4.998 1.00 44.20 N ATOM 126 CA ALA A 10 1.481 -20.575 4.458 1.00 13.40 C ATOM 127 C ALA A 10 0.778 -19.668 3.453 1.00 33.23 C ATOM 128 O ALA A 10 0.633 -18.467 3.681 1.00 52.33 O ATOM 129 CB ALA A 10 0.530 -20.955 5.584 1.00 65.13 C ATOM 0 H ALA A 10 2.725 -19.931 6.017 1.00 44.20 H new ATOM 0 HA ALA A 10 1.790 -21.481 3.937 1.00 13.40 H new ATOM 0 HB1 ALA A 10 -0.356 -21.433 5.166 1.00 65.13 H new ATOM 0 HB2 ALA A 10 1.029 -21.646 6.264 1.00 65.13 H new ATOM 0 HB3 ALA A 10 0.236 -20.059 6.130 1.00 65.13 H new ATOM 135 N CYS A 11 0.343 -20.251 2.341 1.00 51.10 N ATOM 136 CA CYS A 11 -0.344 -19.496 1.300 1.00 32.00 C ATOM 137 C CYS A 11 -1.308 -20.390 0.526 1.00 34.51 C ATOM 138 O CYS A 11 -1.492 -21.560 0.862 1.00 44.31 O ATOM 139 CB CYS A 11 0.670 -18.871 0.341 1.00 42.45 C ATOM 140 SG CYS A 11 1.891 -20.049 -0.323 1.00 75.11 S ATOM 0 H CYS A 11 0.454 -21.244 2.138 1.00 51.10 H new ATOM 0 HA CYS A 11 -0.917 -18.703 1.780 1.00 32.00 H new ATOM 0 HB2 CYS A 11 0.133 -18.413 -0.490 1.00 42.45 H new ATOM 0 HB3 CYS A 11 1.198 -18.070 0.859 1.00 42.45 H new ATOM 145 N ASN A 12 -1.922 -19.831 -0.512 1.00 21.12 N ATOM 146 CA ASN A 12 -2.868 -20.577 -1.334 1.00 24.43 C ATOM 147 C ASN A 12 -2.275 -20.879 -2.707 1.00 30.21 C ATOM 148 O ASN A 12 -1.593 -20.052 -3.311 1.00 44.35 O ATOM 149 CB ASN A 12 -4.171 -19.791 -1.490 1.00 22.21 C ATOM 150 CG ASN A 12 -5.397 -20.676 -1.376 1.00 31.02 C ATOM 151 OD1 ASN A 12 -5.624 -21.312 -0.346 1.00 51.32 O ATOM 152 ND2 ASN A 12 -6.195 -20.721 -2.437 1.00 2.04 N ATOM 0 H ASN A 12 -1.781 -18.864 -0.804 1.00 21.12 H new ATOM 0 HA ASN A 12 -3.080 -21.522 -0.834 1.00 24.43 H new ATOM 0 HB2 ASN A 12 -4.216 -19.013 -0.728 1.00 22.21 H new ATOM 0 HB3 ASN A 12 -4.176 -19.290 -2.458 1.00 22.21 H new ATOM 0 HD21 ASN A 12 -7.035 -21.299 -2.419 1.00 2.04 H new ATOM 0 HD22 ASN A 12 -5.968 -20.177 -3.269 1.00 2.04 H new ATOM 159 N PRO A 13 -2.541 -22.093 -3.213 1.00 13.44 N ATOM 160 CA PRO A 13 -2.045 -22.532 -4.520 1.00 51.52 C ATOM 161 C PRO A 13 -2.719 -21.795 -5.673 1.00 31.30 C ATOM 162 O PRO A 13 -2.204 -21.767 -6.791 1.00 54.11 O ATOM 163 CB PRO A 13 -2.403 -24.020 -4.554 1.00 43.51 C ATOM 164 CG PRO A 13 -3.563 -24.151 -3.629 1.00 23.53 C ATOM 165 CD PRO A 13 -3.348 -23.129 -2.547 1.00 22.40 C ATOM 0 HA PRO A 13 -0.980 -22.333 -4.640 1.00 51.52 H new ATOM 0 HB2 PRO A 13 -2.662 -24.342 -5.563 1.00 43.51 H new ATOM 0 HB3 PRO A 13 -1.565 -24.636 -4.228 1.00 43.51 H new ATOM 0 HG2 PRO A 13 -4.502 -23.973 -4.153 1.00 23.53 H new ATOM 0 HG3 PRO A 13 -3.617 -25.156 -3.211 1.00 23.53 H new ATOM 0 HD2 PRO A 13 -4.293 -22.728 -2.179 1.00 22.40 H new ATOM 0 HD3 PRO A 13 -2.827 -23.555 -1.689 1.00 22.40 H new ATOM 173 N LYS A 14 -3.874 -21.200 -5.394 1.00 43.20 N ATOM 174 CA LYS A 14 -4.618 -20.461 -6.407 1.00 35.22 C ATOM 175 C LYS A 14 -4.296 -18.972 -6.341 1.00 44.24 C ATOM 176 O LYS A 14 -4.534 -18.233 -7.296 1.00 35.13 O ATOM 177 CB LYS A 14 -6.122 -20.676 -6.222 1.00 33.53 C ATOM 178 CG LYS A 14 -6.505 -22.128 -5.991 1.00 30.14 C ATOM 179 CD LYS A 14 -8.013 -22.309 -5.963 1.00 34.41 C ATOM 180 CE LYS A 14 -8.412 -23.547 -5.173 1.00 4.43 C ATOM 181 NZ LYS A 14 -8.127 -24.800 -5.924 1.00 71.24 N ATOM 0 H LYS A 14 -4.315 -21.215 -4.474 1.00 43.20 H new ATOM 0 HA LYS A 14 -4.320 -20.836 -7.386 1.00 35.22 H new ATOM 0 HB2 LYS A 14 -6.464 -20.080 -5.376 1.00 33.53 H new ATOM 0 HB3 LYS A 14 -6.645 -20.307 -7.105 1.00 33.53 H new ATOM 0 HG2 LYS A 14 -6.078 -22.748 -6.779 1.00 30.14 H new ATOM 0 HG3 LYS A 14 -6.079 -22.472 -5.049 1.00 30.14 H new ATOM 0 HD2 LYS A 14 -8.478 -21.428 -5.520 1.00 34.41 H new ATOM 0 HD3 LYS A 14 -8.390 -22.390 -6.983 1.00 34.41 H new ATOM 0 HE2 LYS A 14 -7.874 -23.562 -4.225 1.00 4.43 H new ATOM 0 HE3 LYS A 14 -9.475 -23.500 -4.936 1.00 4.43 H new ATOM 0 HZ1 LYS A 14 -8.413 -25.620 -5.352 1.00 71.24 H new ATOM 0 HZ2 LYS A 14 -8.660 -24.798 -6.817 1.00 71.24 H new ATOM 0 HZ3 LYS A 14 -7.109 -24.858 -6.128 1.00 71.24 H new ATOM 195 N ASN A 15 -3.750 -18.538 -5.210 1.00 31.44 N ATOM 196 CA ASN A 15 -3.394 -17.137 -5.021 1.00 5.13 C ATOM 197 C ASN A 15 -2.073 -17.008 -4.267 1.00 33.30 C ATOM 198 O ASN A 15 -2.055 -16.893 -3.041 1.00 51.14 O ATOM 199 CB ASN A 15 -4.501 -16.405 -4.260 1.00 73.31 C ATOM 200 CG ASN A 15 -4.387 -14.898 -4.380 1.00 5.11 C ATOM 201 OD1 ASN A 15 -3.829 -14.382 -5.349 1.00 2.35 O ATOM 202 ND2 ASN A 15 -4.915 -14.184 -3.393 1.00 33.12 N ATOM 0 H ASN A 15 -3.544 -19.137 -4.410 1.00 31.44 H new ATOM 0 HA ASN A 15 -3.277 -16.683 -6.005 1.00 5.13 H new ATOM 0 HB2 ASN A 15 -5.471 -16.724 -4.640 1.00 73.31 H new ATOM 0 HB3 ASN A 15 -4.462 -16.687 -3.208 1.00 73.31 H new ATOM 0 HD21 ASN A 15 -4.868 -13.165 -3.418 1.00 33.12 H new ATOM 0 HD22 ASN A 15 -5.368 -14.654 -2.609 1.00 33.12 H new ATOM 209 N ASP A 16 -0.971 -17.028 -5.008 1.00 70.51 N ATOM 210 CA ASP A 16 0.354 -16.912 -4.411 1.00 22.43 C ATOM 211 C ASP A 16 0.666 -15.461 -4.058 1.00 21.42 C ATOM 212 O ASP A 16 0.848 -14.622 -4.940 1.00 1.23 O ATOM 213 CB ASP A 16 1.417 -17.458 -5.366 1.00 1.22 C ATOM 214 CG ASP A 16 2.821 -17.047 -4.966 1.00 15.22 C ATOM 215 OD1 ASP A 16 3.183 -15.874 -5.194 1.00 55.21 O ATOM 216 OD2 ASP A 16 3.557 -17.898 -4.425 1.00 62.42 O ATOM 0 H ASP A 16 -0.969 -17.123 -6.024 1.00 70.51 H new ATOM 0 HA ASP A 16 0.365 -17.500 -3.494 1.00 22.43 H new ATOM 0 HB2 ASP A 16 1.354 -18.546 -5.392 1.00 1.22 H new ATOM 0 HB3 ASP A 16 1.211 -17.102 -6.376 1.00 1.22 H new ATOM 221 N LYS A 17 0.725 -15.173 -2.762 1.00 42.42 N ATOM 222 CA LYS A 17 1.015 -13.824 -2.291 1.00 40.50 C ATOM 223 C LYS A 17 2.381 -13.765 -1.615 1.00 31.14 C ATOM 224 O LYS A 17 2.608 -12.949 -0.721 1.00 42.10 O ATOM 225 CB LYS A 17 -0.069 -13.358 -1.316 1.00 41.22 C ATOM 226 CG LYS A 17 -1.394 -13.040 -1.987 1.00 11.21 C ATOM 227 CD LYS A 17 -1.345 -11.707 -2.714 1.00 52.43 C ATOM 228 CE LYS A 17 -2.741 -11.157 -2.965 1.00 11.22 C ATOM 229 NZ LYS A 17 -2.737 -9.674 -3.104 1.00 65.22 N ATOM 0 H LYS A 17 0.576 -15.856 -2.019 1.00 42.42 H new ATOM 0 HA LYS A 17 1.028 -13.160 -3.155 1.00 40.50 H new ATOM 0 HB2 LYS A 17 -0.228 -14.132 -0.565 1.00 41.22 H new ATOM 0 HB3 LYS A 17 0.284 -12.471 -0.790 1.00 41.22 H new ATOM 0 HG2 LYS A 17 -1.644 -13.832 -2.693 1.00 11.21 H new ATOM 0 HG3 LYS A 17 -2.186 -13.018 -1.238 1.00 11.21 H new ATOM 0 HD2 LYS A 17 -0.771 -10.991 -2.125 1.00 52.43 H new ATOM 0 HD3 LYS A 17 -0.824 -11.828 -3.664 1.00 52.43 H new ATOM 0 HE2 LYS A 17 -3.150 -11.605 -3.870 1.00 11.22 H new ATOM 0 HE3 LYS A 17 -3.397 -11.443 -2.143 1.00 11.22 H new ATOM 0 HZ1 LYS A 17 -3.707 -9.339 -3.274 1.00 65.22 H new ATOM 0 HZ2 LYS A 17 -2.370 -9.244 -2.231 1.00 65.22 H new ATOM 0 HZ3 LYS A 17 -2.131 -9.402 -3.905 1.00 65.22 H new ATOM 243 N CYS A 18 3.288 -14.635 -2.047 1.00 50.42 N ATOM 244 CA CYS A 18 4.632 -14.682 -1.485 1.00 1.33 C ATOM 245 C CYS A 18 5.493 -13.549 -2.037 1.00 60.44 C ATOM 246 O CYS A 18 5.117 -12.883 -3.002 1.00 63.14 O ATOM 247 CB CYS A 18 5.288 -16.030 -1.788 1.00 74.32 C ATOM 248 SG CYS A 18 4.227 -17.469 -1.434 1.00 43.24 S ATOM 0 H CYS A 18 3.116 -15.317 -2.785 1.00 50.42 H new ATOM 0 HA CYS A 18 4.551 -14.560 -0.405 1.00 1.33 H new ATOM 0 HB2 CYS A 18 5.576 -16.054 -2.839 1.00 74.32 H new ATOM 0 HB3 CYS A 18 6.205 -16.115 -1.204 1.00 74.32 H new ATOM 253 N CYS A 19 6.650 -13.338 -1.419 1.00 40.52 N ATOM 254 CA CYS A 19 7.565 -12.287 -1.848 1.00 3.24 C ATOM 255 C CYS A 19 8.915 -12.873 -2.253 1.00 53.21 C ATOM 256 O CYS A 19 9.090 -14.090 -2.284 1.00 70.44 O ATOM 257 CB CYS A 19 7.758 -11.262 -0.728 1.00 52.44 C ATOM 258 SG CYS A 19 7.561 -9.531 -1.263 1.00 34.30 S ATOM 0 H CYS A 19 6.976 -13.881 -0.619 1.00 40.52 H new ATOM 0 HA CYS A 19 7.128 -11.791 -2.715 1.00 3.24 H new ATOM 0 HB2 CYS A 19 7.042 -11.469 0.067 1.00 52.44 H new ATOM 0 HB3 CYS A 19 8.753 -11.388 -0.302 1.00 52.44 H new ATOM 263 N ALA A 20 9.865 -11.997 -2.562 1.00 40.25 N ATOM 264 CA ALA A 20 11.199 -12.427 -2.964 1.00 11.55 C ATOM 265 C ALA A 20 11.131 -13.425 -4.114 1.00 21.43 C ATOM 266 O ALA A 20 12.008 -14.275 -4.263 1.00 22.14 O ATOM 267 CB ALA A 20 11.937 -13.032 -1.779 1.00 33.23 C ATOM 0 H ALA A 20 9.736 -10.985 -2.542 1.00 40.25 H new ATOM 0 HA ALA A 20 11.747 -11.551 -3.311 1.00 11.55 H new ATOM 0 HB1 ALA A 20 12.932 -13.349 -2.093 1.00 33.23 H new ATOM 0 HB2 ALA A 20 12.026 -12.288 -0.988 1.00 33.23 H new ATOM 0 HB3 ALA A 20 11.383 -13.893 -1.406 1.00 33.23 H new ATOM 273 N ASN A 21 10.083 -13.317 -4.924 1.00 64.33 N ATOM 274 CA ASN A 21 9.901 -14.213 -6.061 1.00 51.30 C ATOM 275 C ASN A 21 9.743 -15.657 -5.596 1.00 22.12 C ATOM 276 O ASN A 21 10.119 -16.593 -6.303 1.00 24.24 O ATOM 277 CB ASN A 21 11.087 -14.101 -7.021 1.00 2.33 C ATOM 278 CG ASN A 21 11.619 -12.684 -7.119 1.00 63.14 C ATOM 279 OD1 ASN A 21 10.971 -11.804 -7.686 1.00 44.12 O ATOM 280 ND2 ASN A 21 12.805 -12.458 -6.567 1.00 4.12 N ATOM 0 H ASN A 21 9.347 -12.619 -4.815 1.00 64.33 H new ATOM 0 HA ASN A 21 8.991 -13.917 -6.583 1.00 51.30 H new ATOM 0 HB2 ASN A 21 11.885 -14.764 -6.687 1.00 2.33 H new ATOM 0 HB3 ASN A 21 10.783 -14.442 -8.011 1.00 2.33 H new ATOM 0 HD21 ASN A 21 13.215 -11.525 -6.603 1.00 4.12 H new ATOM 0 HD22 ASN A 21 13.307 -13.218 -6.107 1.00 4.12 H new ATOM 287 N LEU A 22 9.184 -15.831 -4.403 1.00 64.03 N ATOM 288 CA LEU A 22 8.976 -17.162 -3.843 1.00 13.41 C ATOM 289 C LEU A 22 7.905 -17.919 -4.622 1.00 11.31 C ATOM 290 O LEU A 22 7.341 -17.401 -5.586 1.00 71.10 O ATOM 291 CB LEU A 22 8.575 -17.059 -2.370 1.00 74.23 C ATOM 292 CG LEU A 22 9.709 -16.780 -1.384 1.00 12.24 C ATOM 293 CD1 LEU A 22 9.182 -16.049 -0.158 1.00 64.02 C ATOM 294 CD2 LEU A 22 10.396 -18.076 -0.980 1.00 33.24 C ATOM 0 H LEU A 22 8.867 -15.068 -3.805 1.00 64.03 H new ATOM 0 HA LEU A 22 9.913 -17.713 -3.921 1.00 13.41 H new ATOM 0 HB2 LEU A 22 7.832 -16.268 -2.271 1.00 74.23 H new ATOM 0 HB3 LEU A 22 8.090 -17.991 -2.080 1.00 74.23 H new ATOM 0 HG LEU A 22 10.443 -16.141 -1.875 1.00 12.24 H new ATOM 0 HD11 LEU A 22 10.003 -15.859 0.533 1.00 64.02 H new ATOM 0 HD12 LEU A 22 8.737 -15.102 -0.463 1.00 64.02 H new ATOM 0 HD13 LEU A 22 8.428 -16.662 0.335 1.00 64.02 H new ATOM 0 HD21 LEU A 22 11.201 -17.858 -0.278 1.00 33.24 H new ATOM 0 HD22 LEU A 22 9.672 -18.740 -0.507 1.00 33.24 H new ATOM 0 HD23 LEU A 22 10.808 -18.560 -1.865 1.00 33.24 H new ATOM 306 N VAL A 23 7.628 -19.147 -4.196 1.00 72.10 N ATOM 307 CA VAL A 23 6.622 -19.975 -4.851 1.00 41.23 C ATOM 308 C VAL A 23 5.706 -20.639 -3.829 1.00 63.04 C ATOM 309 O VAL A 23 6.146 -21.035 -2.750 1.00 4.35 O ATOM 310 CB VAL A 23 7.273 -21.063 -5.725 1.00 24.42 C ATOM 311 CG1 VAL A 23 8.203 -21.932 -4.891 1.00 40.11 C ATOM 312 CG2 VAL A 23 6.207 -21.909 -6.405 1.00 22.04 C ATOM 0 H VAL A 23 8.086 -19.591 -3.400 1.00 72.10 H new ATOM 0 HA VAL A 23 6.033 -19.314 -5.486 1.00 41.23 H new ATOM 0 HB VAL A 23 7.866 -20.576 -6.499 1.00 24.42 H new ATOM 0 HG11 VAL A 23 8.654 -22.695 -5.525 1.00 40.11 H new ATOM 0 HG12 VAL A 23 8.987 -21.312 -4.456 1.00 40.11 H new ATOM 0 HG13 VAL A 23 7.635 -22.412 -4.094 1.00 40.11 H new ATOM 0 HG21 VAL A 23 6.685 -22.673 -7.018 1.00 22.04 H new ATOM 0 HG22 VAL A 23 5.585 -22.388 -5.649 1.00 22.04 H new ATOM 0 HG23 VAL A 23 5.586 -21.273 -7.036 1.00 22.04 H new ATOM 322 N CYS A 24 4.429 -20.759 -4.177 1.00 65.13 N ATOM 323 CA CYS A 24 3.450 -21.376 -3.291 1.00 53.31 C ATOM 324 C CYS A 24 3.236 -22.843 -3.653 1.00 5.22 C ATOM 325 O CYS A 24 2.466 -23.164 -4.557 1.00 73.22 O ATOM 326 CB CYS A 24 2.120 -20.623 -3.364 1.00 51.41 C ATOM 327 SG CYS A 24 1.037 -20.885 -1.923 1.00 11.20 S ATOM 0 H CYS A 24 4.048 -20.437 -5.067 1.00 65.13 H new ATOM 0 HA CYS A 24 3.835 -21.324 -2.273 1.00 53.31 H new ATOM 0 HB2 CYS A 24 2.323 -19.557 -3.463 1.00 51.41 H new ATOM 0 HB3 CYS A 24 1.589 -20.931 -4.265 1.00 51.41 H new ATOM 332 N SER A 25 3.925 -23.728 -2.940 1.00 32.43 N ATOM 333 CA SER A 25 3.814 -25.161 -3.187 1.00 60.22 C ATOM 334 C SER A 25 2.380 -25.639 -2.979 1.00 61.13 C ATOM 335 O SER A 25 1.818 -25.497 -1.893 1.00 40.15 O ATOM 336 CB SER A 25 4.760 -25.934 -2.266 1.00 31.00 C ATOM 337 OG SER A 25 4.454 -27.318 -2.266 1.00 43.22 O ATOM 0 H SER A 25 4.566 -23.478 -2.187 1.00 32.43 H new ATOM 0 HA SER A 25 4.094 -25.348 -4.224 1.00 60.22 H new ATOM 0 HB2 SER A 25 5.790 -25.786 -2.591 1.00 31.00 H new ATOM 0 HB3 SER A 25 4.686 -25.542 -1.252 1.00 31.00 H new ATOM 0 HG SER A 25 5.093 -27.794 -1.696 1.00 43.22 H new ATOM 343 N SER A 26 1.794 -26.207 -4.029 1.00 1.52 N ATOM 344 CA SER A 26 0.424 -26.703 -3.964 1.00 4.41 C ATOM 345 C SER A 26 0.330 -27.920 -3.049 1.00 63.02 C ATOM 346 O SER A 26 -0.763 -28.363 -2.695 1.00 43.32 O ATOM 347 CB SER A 26 -0.077 -27.062 -5.364 1.00 30.32 C ATOM 348 OG SER A 26 1.005 -27.272 -6.255 1.00 32.33 O ATOM 0 H SER A 26 2.246 -26.335 -4.934 1.00 1.52 H new ATOM 0 HA SER A 26 -0.204 -25.913 -3.553 1.00 4.41 H new ATOM 0 HB2 SER A 26 -0.691 -27.961 -5.314 1.00 30.32 H new ATOM 0 HB3 SER A 26 -0.713 -26.262 -5.742 1.00 30.32 H new ATOM 0 HG SER A 26 0.658 -27.502 -7.142 1.00 32.33 H new ATOM 354 N LYS A 27 1.485 -28.458 -2.670 1.00 14.53 N ATOM 355 CA LYS A 27 1.535 -29.623 -1.795 1.00 65.22 C ATOM 356 C LYS A 27 1.656 -29.202 -0.334 1.00 61.31 C ATOM 357 O LYS A 27 0.751 -29.437 0.467 1.00 73.41 O ATOM 358 CB LYS A 27 2.714 -30.522 -2.177 1.00 51.21 C ATOM 359 CG LYS A 27 2.387 -31.521 -3.274 1.00 13.34 C ATOM 360 CD LYS A 27 2.728 -30.971 -4.648 1.00 65.45 C ATOM 361 CE LYS A 27 4.231 -30.960 -4.887 1.00 33.34 C ATOM 362 NZ LYS A 27 4.724 -32.276 -5.380 1.00 12.02 N ATOM 0 H LYS A 27 2.399 -28.105 -2.955 1.00 14.53 H new ATOM 0 HA LYS A 27 0.606 -30.179 -1.918 1.00 65.22 H new ATOM 0 HB2 LYS A 27 3.546 -29.897 -2.502 1.00 51.21 H new ATOM 0 HB3 LYS A 27 3.049 -31.063 -1.292 1.00 51.21 H new ATOM 0 HG2 LYS A 27 2.940 -32.444 -3.103 1.00 13.34 H new ATOM 0 HG3 LYS A 27 1.327 -31.772 -3.234 1.00 13.34 H new ATOM 0 HD2 LYS A 27 2.241 -31.575 -5.414 1.00 65.45 H new ATOM 0 HD3 LYS A 27 2.336 -29.958 -4.743 1.00 65.45 H new ATOM 0 HE2 LYS A 27 4.478 -30.185 -5.613 1.00 33.34 H new ATOM 0 HE3 LYS A 27 4.744 -30.704 -3.960 1.00 33.34 H new ATOM 0 HZ1 LYS A 27 5.752 -32.227 -5.531 1.00 12.02 H new ATOM 0 HZ2 LYS A 27 4.512 -33.012 -4.677 1.00 12.02 H new ATOM 0 HZ3 LYS A 27 4.253 -32.509 -6.278 1.00 12.02 H new ATOM 376 N HIS A 28 2.779 -28.578 0.006 1.00 1.25 N ATOM 377 CA HIS A 28 3.017 -28.122 1.372 1.00 73.14 C ATOM 378 C HIS A 28 2.163 -26.899 1.692 1.00 2.23 C ATOM 379 O HIS A 28 1.958 -26.560 2.858 1.00 42.30 O ATOM 380 CB HIS A 28 4.496 -27.793 1.572 1.00 43.25 C ATOM 381 CG HIS A 28 5.244 -28.837 2.342 1.00 74.41 C ATOM 382 ND1 HIS A 28 6.467 -29.334 1.944 1.00 31.55 N ATOM 383 CD2 HIS A 28 4.935 -29.478 3.493 1.00 31.35 C ATOM 384 CE1 HIS A 28 6.877 -30.237 2.817 1.00 25.12 C ATOM 385 NE2 HIS A 28 5.966 -30.343 3.767 1.00 0.13 N ATOM 0 H HIS A 28 3.538 -28.376 -0.644 1.00 1.25 H new ATOM 0 HA HIS A 28 2.737 -28.927 2.052 1.00 73.14 H new ATOM 0 HB2 HIS A 28 4.966 -27.666 0.597 1.00 43.25 H new ATOM 0 HB3 HIS A 28 4.580 -26.839 2.093 1.00 43.25 H new ATOM 0 HD2 HIS A 28 4.044 -29.336 4.086 1.00 31.35 H new ATOM 0 HE1 HIS A 28 7.801 -30.794 2.763 1.00 25.12 H new ATOM 0 HE2 HIS A 28 6.019 -30.966 4.573 1.00 0.13 H new ATOM 393 N LYS A 29 1.668 -26.239 0.650 1.00 23.14 N ATOM 394 CA LYS A 29 0.837 -25.054 0.820 1.00 55.42 C ATOM 395 C LYS A 29 1.578 -23.977 1.605 1.00 12.45 C ATOM 396 O LYS A 29 1.131 -23.555 2.672 1.00 31.43 O ATOM 397 CB LYS A 29 -0.466 -25.417 1.536 1.00 21.34 C ATOM 398 CG LYS A 29 -1.168 -26.627 0.944 1.00 15.25 C ATOM 399 CD LYS A 29 -2.620 -26.701 1.388 1.00 22.35 C ATOM 400 CE LYS A 29 -3.275 -27.997 0.937 1.00 71.44 C ATOM 401 NZ LYS A 29 -3.247 -28.146 -0.545 1.00 24.22 N ATOM 0 H LYS A 29 1.828 -26.505 -0.321 1.00 23.14 H new ATOM 0 HA LYS A 29 0.603 -24.661 -0.169 1.00 55.42 H new ATOM 0 HB2 LYS A 29 -0.252 -25.610 2.587 1.00 21.34 H new ATOM 0 HB3 LYS A 29 -1.141 -24.562 1.500 1.00 21.34 H new ATOM 0 HG2 LYS A 29 -1.121 -26.580 -0.144 1.00 15.25 H new ATOM 0 HG3 LYS A 29 -0.647 -27.535 1.247 1.00 15.25 H new ATOM 0 HD2 LYS A 29 -2.674 -26.623 2.474 1.00 22.35 H new ATOM 0 HD3 LYS A 29 -3.170 -25.853 0.980 1.00 22.35 H new ATOM 0 HE2 LYS A 29 -2.763 -28.842 1.397 1.00 71.44 H new ATOM 0 HE3 LYS A 29 -4.308 -28.022 1.285 1.00 71.44 H new ATOM 0 HZ1 LYS A 29 -3.819 -28.969 -0.822 1.00 24.22 H new ATOM 0 HZ2 LYS A 29 -3.637 -27.289 -0.987 1.00 24.22 H new ATOM 0 HZ3 LYS A 29 -2.266 -28.283 -0.862 1.00 24.22 H new ATOM 415 N TRP A 30 2.710 -23.535 1.071 1.00 43.12 N ATOM 416 CA TRP A 30 3.512 -22.505 1.722 1.00 23.41 C ATOM 417 C TRP A 30 4.454 -21.838 0.726 1.00 10.41 C ATOM 418 O TRP A 30 4.616 -22.307 -0.401 1.00 24.13 O ATOM 419 CB TRP A 30 4.315 -23.109 2.876 1.00 71.02 C ATOM 420 CG TRP A 30 5.319 -24.129 2.431 1.00 2.11 C ATOM 421 CD1 TRP A 30 5.470 -24.635 1.172 1.00 62.51 C ATOM 422 CD2 TRP A 30 6.310 -24.767 3.244 1.00 30.10 C ATOM 423 NE1 TRP A 30 6.495 -25.550 1.153 1.00 23.30 N ATOM 424 CE2 TRP A 30 7.027 -25.648 2.411 1.00 23.45 C ATOM 425 CE3 TRP A 30 6.662 -24.678 4.593 1.00 25.43 C ATOM 426 CZ2 TRP A 30 8.074 -26.435 2.886 1.00 14.44 C ATOM 427 CZ3 TRP A 30 7.701 -25.460 5.063 1.00 0.41 C ATOM 428 CH2 TRP A 30 8.397 -26.328 4.212 1.00 43.33 C ATOM 0 H TRP A 30 3.094 -23.873 0.189 1.00 43.12 H new ATOM 0 HA TRP A 30 2.835 -21.747 2.116 1.00 23.41 H new ATOM 0 HB2 TRP A 30 4.831 -22.310 3.408 1.00 71.02 H new ATOM 0 HB3 TRP A 30 3.628 -23.571 3.585 1.00 71.02 H new ATOM 0 HD1 TRP A 30 4.872 -24.357 0.317 1.00 62.51 H new ATOM 0 HE1 TRP A 30 6.809 -26.072 0.335 1.00 23.30 H new ATOM 0 HE3 TRP A 30 6.132 -24.011 5.257 1.00 25.43 H new ATOM 0 HZ2 TRP A 30 8.611 -27.105 2.232 1.00 14.44 H new ATOM 0 HZ3 TRP A 30 7.981 -25.401 6.104 1.00 0.41 H new ATOM 0 HH2 TRP A 30 9.205 -26.925 4.610 1.00 43.33 H new ATOM 439 N CYS A 31 5.073 -20.740 1.148 1.00 71.11 N ATOM 440 CA CYS A 31 5.999 -20.007 0.293 1.00 72.21 C ATOM 441 C CYS A 31 7.399 -20.609 0.365 1.00 20.44 C ATOM 442 O CYS A 31 8.221 -20.202 1.187 1.00 73.11 O ATOM 443 CB CYS A 31 6.044 -18.533 0.700 1.00 31.12 C ATOM 444 SG CYS A 31 4.438 -17.681 0.589 1.00 75.43 S ATOM 0 H CYS A 31 4.950 -20.338 2.077 1.00 71.11 H new ATOM 0 HA CYS A 31 5.643 -20.083 -0.734 1.00 72.21 H new ATOM 0 HB2 CYS A 31 6.411 -18.461 1.724 1.00 31.12 H new ATOM 0 HB3 CYS A 31 6.763 -18.014 0.066 1.00 31.12 H new ATOM 449 N LYS A 32 7.664 -21.582 -0.500 1.00 42.12 N ATOM 450 CA LYS A 32 8.965 -22.241 -0.537 1.00 55.51 C ATOM 451 C LYS A 32 9.799 -21.732 -1.708 1.00 2.50 C ATOM 452 O LYS A 32 9.359 -20.872 -2.470 1.00 15.24 O ATOM 453 CB LYS A 32 8.788 -23.757 -0.644 1.00 3.02 C ATOM 454 CG LYS A 32 8.034 -24.196 -1.887 1.00 45.33 C ATOM 455 CD LYS A 32 8.970 -24.796 -2.924 1.00 12.23 C ATOM 456 CE LYS A 32 9.564 -26.111 -2.443 1.00 74.13 C ATOM 457 NZ LYS A 32 10.044 -26.949 -3.576 1.00 64.24 N ATOM 0 H LYS A 32 6.995 -21.932 -1.186 1.00 42.12 H new ATOM 0 HA LYS A 32 9.490 -22.007 0.389 1.00 55.51 H new ATOM 0 HB2 LYS A 32 9.770 -24.230 -0.639 1.00 3.02 H new ATOM 0 HB3 LYS A 32 8.257 -24.115 0.238 1.00 3.02 H new ATOM 0 HG2 LYS A 32 7.275 -24.929 -1.613 1.00 45.33 H new ATOM 0 HG3 LYS A 32 7.512 -23.342 -2.318 1.00 45.33 H new ATOM 0 HD2 LYS A 32 8.427 -24.960 -3.855 1.00 12.23 H new ATOM 0 HD3 LYS A 32 9.772 -24.091 -3.143 1.00 12.23 H new ATOM 0 HE2 LYS A 32 10.393 -25.909 -1.764 1.00 74.13 H new ATOM 0 HE3 LYS A 32 8.814 -26.662 -1.875 1.00 74.13 H new ATOM 0 HZ1 LYS A 32 10.442 -27.836 -3.207 1.00 64.24 H new ATOM 0 HZ2 LYS A 32 9.248 -27.163 -4.211 1.00 64.24 H new ATOM 0 HZ3 LYS A 32 10.778 -26.433 -4.103 1.00 64.24 H new ATOM 471 N GLY A 33 11.007 -22.270 -1.846 1.00 43.31 N ATOM 472 CA GLY A 33 11.883 -21.858 -2.927 1.00 63.35 C ATOM 473 C GLY A 33 11.721 -22.719 -4.165 1.00 12.13 C ATOM 474 O GLY A 33 11.887 -23.938 -4.109 1.00 14.40 O ATOM 0 H GLY A 33 11.394 -22.984 -1.229 1.00 43.31 H new ATOM 0 HA2 GLY A 33 11.677 -20.818 -3.182 1.00 63.35 H new ATOM 0 HA3 GLY A 33 12.918 -21.904 -2.589 1.00 63.35 H new ATOM 478 N LYS A 34 11.394 -22.085 -5.286 1.00 13.14 N ATOM 479 CA LYS A 34 11.208 -22.799 -6.543 1.00 32.41 C ATOM 480 C LYS A 34 12.550 -23.216 -7.136 1.00 1.31 C ATOM 481 O LYS A 34 13.329 -22.374 -7.586 1.00 23.43 O ATOM 482 CB LYS A 34 10.446 -21.926 -7.542 1.00 11.40 C ATOM 483 CG LYS A 34 10.391 -22.510 -8.943 1.00 10.11 C ATOM 484 CD LYS A 34 9.741 -23.884 -8.949 1.00 44.41 C ATOM 485 CE LYS A 34 8.292 -23.817 -8.492 1.00 42.11 C ATOM 486 NZ LYS A 34 7.505 -24.986 -8.973 1.00 13.22 N ATOM 0 H LYS A 34 11.252 -21.077 -5.349 1.00 13.14 H new ATOM 0 HA LYS A 34 10.626 -23.698 -6.338 1.00 32.41 H new ATOM 0 HB2 LYS A 34 9.429 -21.777 -7.179 1.00 11.40 H new ATOM 0 HB3 LYS A 34 10.916 -20.943 -7.585 1.00 11.40 H new ATOM 0 HG2 LYS A 34 9.833 -21.839 -9.596 1.00 10.11 H new ATOM 0 HG3 LYS A 34 11.400 -22.582 -9.348 1.00 10.11 H new ATOM 0 HD2 LYS A 34 9.788 -24.305 -9.953 1.00 44.41 H new ATOM 0 HD3 LYS A 34 10.299 -24.555 -8.296 1.00 44.41 H new ATOM 0 HE2 LYS A 34 8.256 -23.778 -7.403 1.00 42.11 H new ATOM 0 HE3 LYS A 34 7.837 -22.897 -8.859 1.00 42.11 H new ATOM 0 HZ1 LYS A 34 6.523 -24.904 -8.641 1.00 13.22 H new ATOM 0 HZ2 LYS A 34 7.518 -25.009 -10.013 1.00 13.22 H new ATOM 0 HZ3 LYS A 34 7.924 -25.863 -8.602 1.00 13.22 H new ATOM 500 N LEU A 35 12.814 -24.518 -7.135 1.00 13.41 N ATOM 501 CA LEU A 35 14.062 -25.046 -7.675 1.00 11.15 C ATOM 502 C LEU A 35 14.300 -24.539 -9.093 1.00 53.32 C ATOM 503 O LEU A 35 15.412 -24.146 -9.445 1.00 11.34 O ATOM 504 CB LEU A 35 14.038 -26.575 -7.665 1.00 32.42 C ATOM 505 CG LEU A 35 15.355 -27.265 -7.307 1.00 34.22 C ATOM 506 CD1 LEU A 35 16.422 -26.949 -8.343 1.00 52.11 C ATOM 507 CD2 LEU A 35 15.816 -26.846 -5.919 1.00 31.35 C ATOM 0 H LEU A 35 12.181 -25.227 -6.766 1.00 13.41 H new ATOM 0 HA LEU A 35 14.879 -24.697 -7.043 1.00 11.15 H new ATOM 0 HB2 LEU A 35 13.276 -26.902 -6.958 1.00 32.42 H new ATOM 0 HB3 LEU A 35 13.727 -26.920 -8.651 1.00 32.42 H new ATOM 0 HG LEU A 35 15.189 -28.342 -7.303 1.00 34.22 H new ATOM 0 HD11 LEU A 35 17.352 -27.449 -8.072 1.00 52.11 H new ATOM 0 HD12 LEU A 35 16.094 -27.300 -9.322 1.00 52.11 H new ATOM 0 HD13 LEU A 35 16.586 -25.872 -8.380 1.00 52.11 H new ATOM 0 HD21 LEU A 35 16.754 -27.347 -5.681 1.00 31.35 H new ATOM 0 HD22 LEU A 35 15.964 -25.766 -5.895 1.00 31.35 H new ATOM 0 HD23 LEU A 35 15.060 -27.124 -5.185 1.00 31.35 H new TER 519 LEU A 35