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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.51 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= -0.086 K(o=-0.086,f=-2.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 25 SER OG : rot 179:sc= 0.177 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00585) USER MOD Single : A 28 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0735 (180deg=-0.442) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.009 0.882 -1.303 1.00 31.02 N ATOM 2 CA GLY A 1 2.129 -0.173 -0.834 1.00 42.04 C ATOM 3 C GLY A 1 2.595 -1.550 -1.264 1.00 4.10 C ATOM 4 O GLY A 1 2.607 -1.865 -2.453 1.00 22.41 O ATOM 0 H1 GLY A 1 2.648 1.803 -0.983 1.00 31.02 H new ATOM 0 H2 GLY A 1 3.964 0.733 -0.920 1.00 31.02 H new ATOM 0 H3 GLY A 1 3.046 0.867 -2.342 1.00 31.02 H new ATOM 0 HA2 GLY A 1 2.070 -0.136 0.254 1.00 42.04 H new ATOM 0 HA3 GLY A 1 1.122 0.002 -1.214 1.00 42.04 H new ATOM 8 N ASN A 2 2.982 -2.371 -0.293 1.00 61.55 N ATOM 9 CA ASN A 2 3.454 -3.722 -0.578 1.00 11.11 C ATOM 10 C ASN A 2 2.704 -4.749 0.265 1.00 4.24 C ATOM 11 O ASN A 2 2.441 -4.524 1.447 1.00 55.43 O ATOM 12 CB ASN A 2 4.957 -3.826 -0.312 1.00 31.12 C ATOM 13 CG ASN A 2 5.771 -2.953 -1.246 1.00 45.43 C ATOM 14 OD1 ASN A 2 5.385 -2.720 -2.392 1.00 34.33 O ATOM 15 ND2 ASN A 2 6.907 -2.464 -0.760 1.00 55.11 N ATOM 0 H ASN A 2 2.978 -2.125 0.697 1.00 61.55 H new ATOM 0 HA ASN A 2 3.263 -3.933 -1.630 1.00 11.11 H new ATOM 0 HB2 ASN A 2 5.161 -3.539 0.719 1.00 31.12 H new ATOM 0 HB3 ASN A 2 5.272 -4.864 -0.422 1.00 31.12 H new ATOM 0 HD21 ASN A 2 7.497 -1.870 -1.343 1.00 55.11 H new ATOM 0 HD22 ASN A 2 7.189 -2.683 0.196 1.00 55.11 H new ATOM 22 N ASP A 3 2.365 -5.876 -0.349 1.00 71.53 N ATOM 23 CA ASP A 3 1.647 -6.940 0.345 1.00 43.53 C ATOM 24 C ASP A 3 2.098 -8.311 -0.148 1.00 70.03 C ATOM 25 O ASP A 3 1.787 -8.712 -1.270 1.00 61.42 O ATOM 26 CB ASP A 3 0.139 -6.782 0.144 1.00 44.35 C ATOM 27 CG ASP A 3 -0.418 -5.573 0.869 1.00 51.32 C ATOM 28 OD1 ASP A 3 -0.631 -5.663 2.096 1.00 1.33 O ATOM 29 OD2 ASP A 3 -0.641 -4.536 0.209 1.00 23.22 O ATOM 0 H ASP A 3 2.575 -6.078 -1.326 1.00 71.53 H new ATOM 0 HA ASP A 3 1.874 -6.864 1.408 1.00 43.53 H new ATOM 0 HB2 ASP A 3 -0.075 -6.694 -0.921 1.00 44.35 H new ATOM 0 HB3 ASP A 3 -0.368 -7.680 0.498 1.00 44.35 H new ATOM 34 N CYS A 4 2.833 -9.026 0.697 1.00 43.41 N ATOM 35 CA CYS A 4 3.329 -10.352 0.348 1.00 52.52 C ATOM 36 C CYS A 4 3.712 -11.136 1.599 1.00 11.04 C ATOM 37 O CYS A 4 3.624 -10.625 2.717 1.00 73.41 O ATOM 38 CB CYS A 4 4.536 -10.238 -0.586 1.00 34.42 C ATOM 39 SG CYS A 4 5.773 -9.011 -0.056 1.00 23.43 S ATOM 0 H CYS A 4 3.099 -8.709 1.629 1.00 43.41 H new ATOM 0 HA CYS A 4 2.531 -10.888 -0.165 1.00 52.52 H new ATOM 0 HB2 CYS A 4 5.017 -11.213 -0.662 1.00 34.42 H new ATOM 0 HB3 CYS A 4 4.186 -9.977 -1.585 1.00 34.42 H new ATOM 44 N LEU A 5 4.137 -12.379 1.404 1.00 25.13 N ATOM 45 CA LEU A 5 4.535 -13.235 2.517 1.00 71.23 C ATOM 46 C LEU A 5 6.020 -13.573 2.440 1.00 4.13 C ATOM 47 O LEU A 5 6.643 -13.448 1.386 1.00 15.43 O ATOM 48 CB LEU A 5 3.707 -14.522 2.517 1.00 41.40 C ATOM 49 CG LEU A 5 2.190 -14.344 2.444 1.00 42.42 C ATOM 50 CD1 LEU A 5 1.528 -15.614 1.934 1.00 73.02 C ATOM 51 CD2 LEU A 5 1.632 -13.959 3.806 1.00 10.21 C ATOM 0 H LEU A 5 4.215 -12.817 0.486 1.00 25.13 H new ATOM 0 HA LEU A 5 4.352 -12.692 3.444 1.00 71.23 H new ATOM 0 HB2 LEU A 5 4.022 -15.133 1.671 1.00 41.40 H new ATOM 0 HB3 LEU A 5 3.944 -15.083 3.421 1.00 41.40 H new ATOM 0 HG LEU A 5 1.971 -13.538 1.743 1.00 42.42 H new ATOM 0 HD11 LEU A 5 0.449 -15.469 1.889 1.00 73.02 H new ATOM 0 HD12 LEU A 5 1.905 -15.846 0.938 1.00 73.02 H new ATOM 0 HD13 LEU A 5 1.755 -16.439 2.609 1.00 73.02 H new ATOM 0 HD21 LEU A 5 0.551 -13.837 3.735 1.00 10.21 H new ATOM 0 HD22 LEU A 5 1.862 -14.743 4.528 1.00 10.21 H new ATOM 0 HD23 LEU A 5 2.083 -13.022 4.132 1.00 10.21 H new ATOM 63 N GLY A 6 6.583 -14.004 3.565 1.00 32.33 N ATOM 64 CA GLY A 6 7.990 -14.356 3.604 1.00 43.43 C ATOM 65 C GLY A 6 8.244 -15.782 3.159 1.00 21.40 C ATOM 66 O GLY A 6 7.549 -16.301 2.285 1.00 0.10 O ATOM 0 H GLY A 6 6.089 -14.116 4.450 1.00 32.33 H new ATOM 0 HA2 GLY A 6 8.550 -13.674 2.964 1.00 43.43 H new ATOM 0 HA3 GLY A 6 8.367 -14.223 4.618 1.00 43.43 H new ATOM 70 N PHE A 7 9.244 -16.419 3.760 1.00 14.04 N ATOM 71 CA PHE A 7 9.589 -17.794 3.419 1.00 5.04 C ATOM 72 C PHE A 7 8.869 -18.779 4.335 1.00 32.11 C ATOM 73 O PHE A 7 8.551 -18.459 5.480 1.00 33.35 O ATOM 74 CB PHE A 7 11.102 -18.001 3.518 1.00 22.33 C ATOM 75 CG PHE A 7 11.683 -18.743 2.348 1.00 4.44 C ATOM 76 CD1 PHE A 7 11.413 -20.088 2.160 1.00 21.55 C ATOM 77 CD2 PHE A 7 12.501 -18.094 1.437 1.00 55.42 C ATOM 78 CE1 PHE A 7 11.946 -20.774 1.085 1.00 50.42 C ATOM 79 CE2 PHE A 7 13.036 -18.773 0.359 1.00 32.40 C ATOM 80 CZ PHE A 7 12.759 -20.115 0.183 1.00 23.25 C ATOM 0 H PHE A 7 9.829 -16.005 4.485 1.00 14.04 H new ATOM 0 HA PHE A 7 9.269 -17.979 2.393 1.00 5.04 H new ATOM 0 HB2 PHE A 7 11.589 -17.029 3.600 1.00 22.33 H new ATOM 0 HB3 PHE A 7 11.327 -18.549 4.433 1.00 22.33 H new ATOM 0 HD1 PHE A 7 10.778 -20.608 2.862 1.00 21.55 H new ATOM 0 HD2 PHE A 7 12.723 -17.046 1.571 1.00 55.42 H new ATOM 0 HE1 PHE A 7 11.727 -21.823 0.950 1.00 50.42 H new ATOM 0 HE2 PHE A 7 13.670 -18.255 -0.345 1.00 32.40 H new ATOM 0 HZ PHE A 7 13.177 -20.648 -0.658 1.00 23.25 H new ATOM 90 N TRP A 8 8.615 -19.977 3.821 1.00 34.15 N ATOM 91 CA TRP A 8 7.931 -21.009 4.592 1.00 32.53 C ATOM 92 C TRP A 8 6.613 -20.487 5.154 1.00 4.40 C ATOM 93 O TRP A 8 6.145 -20.948 6.195 1.00 71.35 O ATOM 94 CB TRP A 8 8.826 -21.501 5.731 1.00 33.40 C ATOM 95 CG TRP A 8 10.244 -21.743 5.310 1.00 34.50 C ATOM 96 CD1 TRP A 8 11.356 -21.095 5.765 1.00 12.33 C ATOM 97 CD2 TRP A 8 10.700 -22.701 4.348 1.00 5.42 C ATOM 98 NE1 TRP A 8 12.477 -21.591 5.144 1.00 13.13 N ATOM 99 CE2 TRP A 8 12.102 -22.578 4.271 1.00 14.52 C ATOM 100 CE3 TRP A 8 10.063 -23.651 3.546 1.00 11.13 C ATOM 101 CZ2 TRP A 8 12.873 -23.368 3.423 1.00 35.43 C ATOM 102 CZ3 TRP A 8 10.829 -24.435 2.705 1.00 3.21 C ATOM 103 CH2 TRP A 8 12.222 -24.290 2.649 1.00 30.53 C ATOM 0 H TRP A 8 8.872 -20.258 2.875 1.00 34.15 H new ATOM 0 HA TRP A 8 7.714 -21.842 3.923 1.00 32.53 H new ATOM 0 HB2 TRP A 8 8.814 -20.766 6.536 1.00 33.40 H new ATOM 0 HB3 TRP A 8 8.412 -22.425 6.136 1.00 33.40 H new ATOM 0 HD1 TRP A 8 11.355 -20.308 6.505 1.00 12.33 H new ATOM 0 HE1 TRP A 8 13.433 -21.275 5.307 1.00 13.13 H new ATOM 0 HE3 TRP A 8 8.990 -23.771 3.583 1.00 11.13 H new ATOM 0 HZ2 TRP A 8 13.946 -23.257 3.378 1.00 35.43 H new ATOM 0 HZ3 TRP A 8 10.346 -25.172 2.080 1.00 3.21 H new ATOM 0 HH2 TRP A 8 12.793 -24.918 1.982 1.00 30.53 H new ATOM 114 N SER A 9 6.020 -19.521 4.459 1.00 21.31 N ATOM 115 CA SER A 9 4.758 -18.933 4.891 1.00 33.34 C ATOM 116 C SER A 9 3.581 -19.583 4.170 1.00 34.23 C ATOM 117 O SER A 9 3.510 -19.575 2.942 1.00 41.02 O ATOM 118 CB SER A 9 4.758 -17.425 4.634 1.00 25.21 C ATOM 119 OG SER A 9 3.998 -16.740 5.614 1.00 73.31 O ATOM 0 H SER A 9 6.394 -19.129 3.594 1.00 21.31 H new ATOM 0 HA SER A 9 4.650 -19.112 5.961 1.00 33.34 H new ATOM 0 HB2 SER A 9 5.782 -17.052 4.638 1.00 25.21 H new ATOM 0 HB3 SER A 9 4.349 -17.222 3.644 1.00 25.21 H new ATOM 0 HG SER A 9 4.144 -15.775 5.525 1.00 73.31 H new ATOM 125 N ALA A 10 2.658 -20.146 4.944 1.00 3.33 N ATOM 126 CA ALA A 10 1.483 -20.798 4.381 1.00 21.50 C ATOM 127 C ALA A 10 0.772 -19.886 3.388 1.00 75.13 C ATOM 128 O ALA A 10 0.615 -18.689 3.630 1.00 5.03 O ATOM 129 CB ALA A 10 0.530 -21.219 5.490 1.00 24.13 C ATOM 0 H ALA A 10 2.702 -20.163 5.963 1.00 3.33 H new ATOM 0 HA ALA A 10 1.814 -21.687 3.845 1.00 21.50 H new ATOM 0 HB1 ALA A 10 -0.343 -21.705 5.054 1.00 24.13 H new ATOM 0 HB2 ALA A 10 1.036 -21.914 6.160 1.00 24.13 H new ATOM 0 HB3 ALA A 10 0.214 -20.340 6.051 1.00 24.13 H new ATOM 135 N CYS A 11 0.342 -20.459 2.268 1.00 2.31 N ATOM 136 CA CYS A 11 -0.352 -19.697 1.237 1.00 70.33 C ATOM 137 C CYS A 11 -1.311 -20.590 0.455 1.00 52.14 C ATOM 138 O CYS A 11 -1.483 -21.765 0.776 1.00 55.21 O ATOM 139 CB CYS A 11 0.656 -19.054 0.283 1.00 63.24 C ATOM 140 SG CYS A 11 1.884 -20.217 -0.396 1.00 53.42 S ATOM 0 H CYS A 11 0.462 -21.449 2.052 1.00 2.31 H new ATOM 0 HA CYS A 11 -0.930 -18.913 1.726 1.00 70.33 H new ATOM 0 HB2 CYS A 11 0.115 -18.591 -0.542 1.00 63.24 H new ATOM 0 HB3 CYS A 11 1.180 -18.256 0.809 1.00 63.24 H new ATOM 145 N ASN A 12 -1.933 -20.023 -0.574 1.00 42.42 N ATOM 146 CA ASN A 12 -2.875 -20.766 -1.403 1.00 20.35 C ATOM 147 C ASN A 12 -2.286 -21.043 -2.782 1.00 44.34 C ATOM 148 O ASN A 12 -1.615 -20.200 -3.379 1.00 1.25 O ATOM 149 CB ASN A 12 -4.186 -19.991 -1.542 1.00 14.42 C ATOM 150 CG ASN A 12 -5.404 -20.889 -1.433 1.00 44.41 C ATOM 151 OD1 ASN A 12 -5.617 -21.542 -0.412 1.00 34.11 O ATOM 152 ND2 ASN A 12 -6.208 -20.925 -2.489 1.00 12.41 N ATOM 0 H ASN A 12 -1.801 -19.051 -0.854 1.00 42.42 H new ATOM 0 HA ASN A 12 -3.075 -21.720 -0.915 1.00 20.35 H new ATOM 0 HB2 ASN A 12 -4.234 -19.223 -0.770 1.00 14.42 H new ATOM 0 HB3 ASN A 12 -4.201 -19.478 -2.504 1.00 14.42 H new ATOM 0 HD21 ASN A 12 -7.042 -21.511 -2.475 1.00 12.41 H new ATOM 0 HD22 ASN A 12 -5.991 -20.366 -3.314 1.00 12.41 H new ATOM 159 N PRO A 13 -2.541 -22.252 -3.304 1.00 14.24 N ATOM 160 CA PRO A 13 -2.047 -22.667 -4.619 1.00 63.44 C ATOM 161 C PRO A 13 -2.734 -21.923 -5.759 1.00 1.42 C ATOM 162 O PRO A 13 -2.231 -21.884 -6.882 1.00 21.00 O ATOM 163 CB PRO A 13 -2.389 -24.158 -4.672 1.00 63.53 C ATOM 164 CG PRO A 13 -3.543 -24.316 -3.744 1.00 1.54 C ATOM 165 CD PRO A 13 -3.334 -23.306 -2.649 1.00 22.22 C ATOM 0 HA PRO A 13 -0.985 -22.454 -4.740 1.00 63.44 H new ATOM 0 HB2 PRO A 13 -2.650 -24.468 -5.684 1.00 63.53 H new ATOM 0 HB3 PRO A 13 -1.543 -24.769 -4.359 1.00 63.53 H new ATOM 0 HG2 PRO A 13 -4.487 -24.142 -4.261 1.00 1.54 H new ATOM 0 HG3 PRO A 13 -3.583 -25.327 -3.340 1.00 1.54 H new ATOM 0 HD2 PRO A 13 -4.281 -22.920 -2.272 1.00 22.22 H new ATOM 0 HD3 PRO A 13 -2.805 -23.738 -1.800 1.00 22.22 H new ATOM 173 N LYS A 14 -3.886 -21.331 -5.463 1.00 32.12 N ATOM 174 CA LYS A 14 -4.643 -20.585 -6.461 1.00 63.25 C ATOM 175 C LYS A 14 -4.335 -19.094 -6.375 1.00 12.33 C ATOM 176 O LYS A 14 -4.576 -18.345 -7.320 1.00 55.24 O ATOM 177 CB LYS A 14 -6.143 -20.819 -6.274 1.00 74.10 C ATOM 178 CG LYS A 14 -6.512 -22.280 -6.080 1.00 3.20 C ATOM 179 CD LYS A 14 -8.011 -22.498 -6.202 1.00 4.12 C ATOM 180 CE LYS A 14 -8.725 -22.202 -4.892 1.00 71.11 C ATOM 181 NZ LYS A 14 -10.163 -22.587 -4.945 1.00 42.35 N ATOM 0 H LYS A 14 -4.316 -21.354 -4.538 1.00 32.12 H new ATOM 0 HA LYS A 14 -4.347 -20.943 -7.447 1.00 63.25 H new ATOM 0 HB2 LYS A 14 -6.486 -20.249 -5.411 1.00 74.10 H new ATOM 0 HB3 LYS A 14 -6.674 -20.431 -7.144 1.00 74.10 H new ATOM 0 HG2 LYS A 14 -5.994 -22.889 -6.821 1.00 3.20 H new ATOM 0 HG3 LYS A 14 -6.173 -22.615 -5.099 1.00 3.20 H new ATOM 0 HD2 LYS A 14 -8.410 -21.857 -6.988 1.00 4.12 H new ATOM 0 HD3 LYS A 14 -8.207 -23.528 -6.500 1.00 4.12 H new ATOM 0 HE2 LYS A 14 -8.234 -22.741 -4.081 1.00 71.11 H new ATOM 0 HE3 LYS A 14 -8.642 -21.139 -4.665 1.00 71.11 H new ATOM 0 HZ1 LYS A 14 -10.614 -22.370 -4.034 1.00 42.35 H new ATOM 0 HZ2 LYS A 14 -10.637 -22.055 -5.702 1.00 42.35 H new ATOM 0 HZ3 LYS A 14 -10.243 -23.606 -5.136 1.00 42.35 H new ATOM 195 N ASN A 15 -3.800 -18.670 -5.234 1.00 50.24 N ATOM 196 CA ASN A 15 -3.459 -17.267 -5.025 1.00 64.41 C ATOM 197 C ASN A 15 -2.135 -17.135 -4.279 1.00 25.42 C ATOM 198 O ASN A 15 -2.110 -17.012 -3.054 1.00 51.31 O ATOM 199 CB ASN A 15 -4.569 -16.562 -4.245 1.00 13.52 C ATOM 200 CG ASN A 15 -4.470 -15.051 -4.336 1.00 61.00 C ATOM 201 OD1 ASN A 15 -3.459 -14.510 -4.786 1.00 34.44 O ATOM 202 ND2 ASN A 15 -5.521 -14.362 -3.908 1.00 75.12 N ATOM 0 H ASN A 15 -3.593 -19.277 -4.441 1.00 50.24 H new ATOM 0 HA ASN A 15 -3.354 -16.795 -6.002 1.00 64.41 H new ATOM 0 HB2 ASN A 15 -5.538 -16.883 -4.627 1.00 13.52 H new ATOM 0 HB3 ASN A 15 -4.522 -16.864 -3.199 1.00 13.52 H new ATOM 0 HD21 ASN A 15 -5.512 -13.343 -3.944 1.00 75.12 H new ATOM 0 HD22 ASN A 15 -6.338 -14.852 -3.543 1.00 75.12 H new ATOM 209 N ASP A 16 -1.036 -17.162 -5.025 1.00 60.11 N ATOM 210 CA ASP A 16 0.292 -17.044 -4.435 1.00 44.31 C ATOM 211 C ASP A 16 0.591 -15.597 -4.054 1.00 33.01 C ATOM 212 O ASP A 16 0.758 -14.737 -4.919 1.00 74.21 O ATOM 213 CB ASP A 16 1.354 -17.557 -5.409 1.00 41.22 C ATOM 214 CG ASP A 16 2.755 -17.136 -5.012 1.00 65.33 C ATOM 215 OD1 ASP A 16 3.103 -15.955 -5.222 1.00 13.10 O ATOM 216 OD2 ASP A 16 3.505 -17.988 -4.491 1.00 72.31 O ATOM 0 H ASP A 16 -1.039 -17.265 -6.040 1.00 60.11 H new ATOM 0 HA ASP A 16 0.316 -17.652 -3.530 1.00 44.31 H new ATOM 0 HB2 ASP A 16 1.304 -18.645 -5.456 1.00 41.22 H new ATOM 0 HB3 ASP A 16 1.136 -17.184 -6.410 1.00 41.22 H new ATOM 221 N LYS A 17 0.655 -15.335 -2.753 1.00 4.31 N ATOM 222 CA LYS A 17 0.934 -13.993 -2.255 1.00 54.44 C ATOM 223 C LYS A 17 2.307 -13.931 -1.595 1.00 43.03 C ATOM 224 O LYS A 17 2.546 -13.109 -0.710 1.00 52.44 O ATOM 225 CB LYS A 17 -0.144 -13.563 -1.257 1.00 24.22 C ATOM 226 CG LYS A 17 -1.386 -12.986 -1.913 1.00 2.10 C ATOM 227 CD LYS A 17 -1.110 -11.624 -2.527 1.00 52.23 C ATOM 228 CE LYS A 17 -2.390 -10.962 -3.014 1.00 75.51 C ATOM 229 NZ LYS A 17 -2.114 -9.714 -3.777 1.00 53.22 N ATOM 0 H LYS A 17 0.517 -16.035 -2.024 1.00 4.31 H new ATOM 0 HA LYS A 17 0.928 -13.309 -3.104 1.00 54.44 H new ATOM 0 HB2 LYS A 17 -0.430 -14.423 -0.651 1.00 24.22 H new ATOM 0 HB3 LYS A 17 0.276 -12.821 -0.579 1.00 24.22 H new ATOM 0 HG2 LYS A 17 -1.742 -13.669 -2.685 1.00 2.10 H new ATOM 0 HG3 LYS A 17 -2.182 -12.898 -1.173 1.00 2.10 H new ATOM 0 HD2 LYS A 17 -0.625 -10.983 -1.790 1.00 52.23 H new ATOM 0 HD3 LYS A 17 -0.416 -11.733 -3.360 1.00 52.23 H new ATOM 0 HE2 LYS A 17 -2.942 -11.659 -3.645 1.00 75.51 H new ATOM 0 HE3 LYS A 17 -3.027 -10.732 -2.160 1.00 75.51 H new ATOM 0 HZ1 LYS A 17 -3.012 -9.293 -4.091 1.00 53.22 H new ATOM 0 HZ2 LYS A 17 -1.610 -9.039 -3.167 1.00 53.22 H new ATOM 0 HZ3 LYS A 17 -1.527 -9.937 -4.606 1.00 53.22 H new ATOM 243 N CYS A 18 3.208 -14.805 -2.032 1.00 3.40 N ATOM 244 CA CYS A 18 4.559 -14.849 -1.485 1.00 32.23 C ATOM 245 C CYS A 18 5.402 -13.696 -2.021 1.00 54.25 C ATOM 246 O CYS A 18 5.018 -13.025 -2.980 1.00 75.11 O ATOM 247 CB CYS A 18 5.225 -16.184 -1.825 1.00 5.35 C ATOM 248 SG CYS A 18 4.183 -17.641 -1.495 1.00 1.24 S ATOM 0 H CYS A 18 3.027 -15.492 -2.763 1.00 3.40 H new ATOM 0 HA CYS A 18 4.489 -14.750 -0.402 1.00 32.23 H new ATOM 0 HB2 CYS A 18 5.503 -16.181 -2.879 1.00 5.35 H new ATOM 0 HB3 CYS A 18 6.148 -16.274 -1.252 1.00 5.35 H new ATOM 253 N CYS A 19 6.553 -13.471 -1.397 1.00 13.21 N ATOM 254 CA CYS A 19 7.451 -12.399 -1.810 1.00 72.40 C ATOM 255 C CYS A 19 8.816 -12.956 -2.204 1.00 41.31 C ATOM 256 O CYS A 19 9.020 -14.169 -2.228 1.00 71.14 O ATOM 257 CB CYS A 19 7.610 -11.377 -0.684 1.00 5.54 C ATOM 258 SG CYS A 19 7.406 -9.646 -1.216 1.00 24.31 S ATOM 0 H CYS A 19 6.886 -14.017 -0.603 1.00 13.21 H new ATOM 0 HA CYS A 19 7.014 -11.906 -2.679 1.00 72.40 H new ATOM 0 HB2 CYS A 19 6.880 -11.595 0.096 1.00 5.54 H new ATOM 0 HB3 CYS A 19 8.597 -11.495 -0.238 1.00 5.54 H new ATOM 263 N ALA A 20 9.748 -12.059 -2.512 1.00 32.23 N ATOM 264 CA ALA A 20 11.094 -12.460 -2.902 1.00 52.41 C ATOM 265 C ALA A 20 11.057 -13.466 -4.047 1.00 32.30 C ATOM 266 O ALA A 20 11.948 -14.304 -4.179 1.00 2.35 O ATOM 267 CB ALA A 20 11.838 -13.041 -1.709 1.00 64.04 C ATOM 0 H ALA A 20 9.595 -11.051 -2.499 1.00 32.23 H new ATOM 0 HA ALA A 20 11.624 -11.573 -3.250 1.00 52.41 H new ATOM 0 HB1 ALA A 20 12.842 -13.336 -2.015 1.00 64.04 H new ATOM 0 HB2 ALA A 20 11.905 -12.291 -0.921 1.00 64.04 H new ATOM 0 HB3 ALA A 20 11.301 -13.913 -1.335 1.00 64.04 H new ATOM 273 N ASN A 21 10.019 -13.379 -4.873 1.00 12.45 N ATOM 274 CA ASN A 21 9.865 -14.283 -6.006 1.00 63.40 C ATOM 275 C ASN A 21 9.708 -15.726 -5.534 1.00 5.54 C ATOM 276 O ASN A 21 10.112 -16.664 -6.223 1.00 13.44 O ATOM 277 CB ASN A 21 11.070 -14.170 -6.943 1.00 12.23 C ATOM 278 CG ASN A 21 11.587 -12.748 -7.049 1.00 65.41 C ATOM 279 OD1 ASN A 21 10.839 -11.826 -7.374 1.00 24.21 O ATOM 280 ND2 ASN A 21 12.874 -12.565 -6.775 1.00 70.43 N ATOM 0 H ASN A 21 9.272 -12.691 -4.778 1.00 12.45 H new ATOM 0 HA ASN A 21 8.963 -13.996 -6.547 1.00 63.40 H new ATOM 0 HB2 ASN A 21 11.869 -14.819 -6.583 1.00 12.23 H new ATOM 0 HB3 ASN A 21 10.791 -14.527 -7.934 1.00 12.23 H new ATOM 0 HD21 ASN A 21 13.279 -11.631 -6.830 1.00 70.43 H new ATOM 0 HD22 ASN A 21 13.457 -13.359 -6.510 1.00 70.43 H new ATOM 287 N LEU A 22 9.120 -15.895 -4.355 1.00 31.32 N ATOM 288 CA LEU A 22 8.908 -17.223 -3.789 1.00 65.34 C ATOM 289 C LEU A 22 7.865 -17.996 -4.590 1.00 64.32 C ATOM 290 O LEU A 22 7.290 -17.476 -5.546 1.00 12.43 O ATOM 291 CB LEU A 22 8.468 -17.113 -2.329 1.00 32.13 C ATOM 292 CG LEU A 22 9.590 -17.019 -1.294 1.00 40.24 C ATOM 293 CD1 LEU A 22 9.163 -16.151 -0.121 1.00 50.31 C ATOM 294 CD2 LEU A 22 9.992 -18.406 -0.815 1.00 72.14 C ATOM 0 H LEU A 22 8.781 -15.129 -3.772 1.00 31.32 H new ATOM 0 HA LEU A 22 9.852 -17.766 -3.837 1.00 65.34 H new ATOM 0 HB2 LEU A 22 7.833 -16.233 -2.227 1.00 32.13 H new ATOM 0 HB3 LEU A 22 7.852 -17.980 -2.090 1.00 32.13 H new ATOM 0 HG LEU A 22 10.456 -16.555 -1.767 1.00 40.24 H new ATOM 0 HD11 LEU A 22 9.974 -16.096 0.605 1.00 50.31 H new ATOM 0 HD12 LEU A 22 8.926 -15.148 -0.477 1.00 50.31 H new ATOM 0 HD13 LEU A 22 8.282 -16.586 0.351 1.00 50.31 H new ATOM 0 HD21 LEU A 22 10.791 -18.319 -0.079 1.00 72.14 H new ATOM 0 HD22 LEU A 22 9.132 -18.897 -0.360 1.00 72.14 H new ATOM 0 HD23 LEU A 22 10.341 -18.996 -1.662 1.00 72.14 H new ATOM 306 N VAL A 23 7.625 -19.242 -4.193 1.00 2.25 N ATOM 307 CA VAL A 23 6.649 -20.086 -4.871 1.00 12.13 C ATOM 308 C VAL A 23 5.726 -20.772 -3.870 1.00 12.32 C ATOM 309 O VAL A 23 6.162 -21.209 -2.804 1.00 41.24 O ATOM 310 CB VAL A 23 7.338 -21.158 -5.735 1.00 22.40 C ATOM 311 CG1 VAL A 23 8.310 -21.976 -4.898 1.00 11.35 C ATOM 312 CG2 VAL A 23 6.303 -22.057 -6.394 1.00 70.13 C ATOM 0 H VAL A 23 8.094 -19.689 -3.405 1.00 2.25 H new ATOM 0 HA VAL A 23 6.060 -19.434 -5.516 1.00 12.13 H new ATOM 0 HB VAL A 23 7.904 -20.657 -6.520 1.00 22.40 H new ATOM 0 HG11 VAL A 23 8.787 -22.728 -5.526 1.00 11.35 H new ATOM 0 HG12 VAL A 23 9.071 -21.318 -4.478 1.00 11.35 H new ATOM 0 HG13 VAL A 23 7.769 -22.468 -4.090 1.00 11.35 H new ATOM 0 HG21 VAL A 23 6.808 -22.809 -7.001 1.00 70.13 H new ATOM 0 HG22 VAL A 23 5.708 -22.551 -5.626 1.00 70.13 H new ATOM 0 HG23 VAL A 23 5.651 -21.457 -7.028 1.00 70.13 H new ATOM 322 N CYS A 24 4.447 -20.863 -4.219 1.00 60.41 N ATOM 323 CA CYS A 24 3.460 -21.496 -3.352 1.00 64.21 C ATOM 324 C CYS A 24 3.270 -22.964 -3.725 1.00 5.23 C ATOM 325 O CYS A 24 2.501 -23.291 -4.628 1.00 44.05 O ATOM 326 CB CYS A 24 2.123 -20.758 -3.443 1.00 22.43 C ATOM 327 SG CYS A 24 1.029 -21.024 -2.011 1.00 31.03 S ATOM 0 H CYS A 24 4.070 -20.506 -5.097 1.00 60.41 H new ATOM 0 HA CYS A 24 3.827 -21.444 -2.327 1.00 64.21 H new ATOM 0 HB2 CYS A 24 2.316 -19.690 -3.546 1.00 22.43 H new ATOM 0 HB3 CYS A 24 1.605 -21.077 -4.347 1.00 22.43 H new ATOM 332 N SER A 25 3.977 -23.843 -3.022 1.00 33.34 N ATOM 333 CA SER A 25 3.889 -25.276 -3.280 1.00 40.32 C ATOM 334 C SER A 25 2.462 -25.777 -3.081 1.00 60.32 C ATOM 335 O SER A 25 1.893 -25.649 -1.997 1.00 72.43 O ATOM 336 CB SER A 25 4.843 -26.041 -2.361 1.00 44.32 C ATOM 337 OG SER A 25 4.594 -27.435 -2.414 1.00 44.31 O ATOM 0 H SER A 25 4.617 -23.588 -2.270 1.00 33.34 H new ATOM 0 HA SER A 25 4.176 -25.452 -4.317 1.00 40.32 H new ATOM 0 HB2 SER A 25 5.874 -25.841 -2.654 1.00 44.32 H new ATOM 0 HB3 SER A 25 4.728 -25.687 -1.337 1.00 44.32 H new ATOM 0 HG SER A 25 5.228 -27.903 -1.831 1.00 44.31 H new ATOM 343 N SER A 26 1.890 -26.349 -4.136 1.00 51.11 N ATOM 344 CA SER A 26 0.528 -26.867 -4.080 1.00 11.20 C ATOM 345 C SER A 26 0.449 -28.090 -3.171 1.00 51.05 C ATOM 346 O SER A 26 -0.638 -28.549 -2.821 1.00 14.11 O ATOM 347 CB SER A 26 0.039 -27.228 -5.484 1.00 13.21 C ATOM 348 OG SER A 26 0.038 -28.631 -5.679 1.00 22.44 O ATOM 0 H SER A 26 2.349 -26.465 -5.040 1.00 51.11 H new ATOM 0 HA SER A 26 -0.114 -26.088 -3.669 1.00 11.20 H new ATOM 0 HB2 SER A 26 -0.967 -26.836 -5.634 1.00 13.21 H new ATOM 0 HB3 SER A 26 0.679 -26.755 -6.228 1.00 13.21 H new ATOM 0 HG SER A 26 -0.280 -28.835 -6.583 1.00 22.44 H new ATOM 354 N LYS A 27 1.610 -28.614 -2.793 1.00 71.14 N ATOM 355 CA LYS A 27 1.675 -29.783 -1.925 1.00 23.43 C ATOM 356 C LYS A 27 1.789 -29.368 -0.461 1.00 62.33 C ATOM 357 O LYS A 27 0.886 -29.619 0.338 1.00 65.43 O ATOM 358 CB LYS A 27 2.866 -30.665 -2.310 1.00 53.40 C ATOM 359 CG LYS A 27 2.523 -31.738 -3.329 1.00 44.41 C ATOM 360 CD LYS A 27 2.781 -31.261 -4.749 1.00 12.13 C ATOM 361 CE LYS A 27 4.227 -31.490 -5.160 1.00 2.12 C ATOM 362 NZ LYS A 27 4.483 -32.912 -5.518 1.00 64.35 N ATOM 0 H LYS A 27 2.519 -28.247 -3.075 1.00 71.14 H new ATOM 0 HA LYS A 27 0.754 -30.351 -2.053 1.00 23.43 H new ATOM 0 HB2 LYS A 27 3.660 -30.035 -2.711 1.00 53.40 H new ATOM 0 HB3 LYS A 27 3.260 -31.141 -1.412 1.00 53.40 H new ATOM 0 HG2 LYS A 27 3.115 -32.632 -3.131 1.00 44.41 H new ATOM 0 HG3 LYS A 27 1.475 -32.020 -3.223 1.00 44.41 H new ATOM 0 HD2 LYS A 27 2.119 -31.787 -5.437 1.00 12.13 H new ATOM 0 HD3 LYS A 27 2.543 -30.200 -4.826 1.00 12.13 H new ATOM 0 HE2 LYS A 27 4.468 -30.852 -6.010 1.00 2.12 H new ATOM 0 HE3 LYS A 27 4.887 -31.196 -4.344 1.00 2.12 H new ATOM 0 HZ1 LYS A 27 5.480 -33.143 -5.332 1.00 64.35 H new ATOM 0 HZ2 LYS A 27 3.872 -33.529 -4.946 1.00 64.35 H new ATOM 0 HZ3 LYS A 27 4.276 -33.059 -6.527 1.00 64.35 H new ATOM 376 N HIS A 28 2.903 -28.731 -0.117 1.00 5.52 N ATOM 377 CA HIS A 28 3.134 -28.279 1.251 1.00 50.42 C ATOM 378 C HIS A 28 2.259 -27.072 1.579 1.00 65.21 C ATOM 379 O HIS A 28 2.049 -26.743 2.747 1.00 62.44 O ATOM 380 CB HIS A 28 4.608 -27.925 1.452 1.00 53.42 C ATOM 381 CG HIS A 28 5.378 -28.969 2.199 1.00 61.40 C ATOM 382 ND1 HIS A 28 4.927 -29.545 3.368 1.00 2.32 N ATOM 383 CD2 HIS A 28 6.575 -29.544 1.936 1.00 3.32 C ATOM 384 CE1 HIS A 28 5.814 -30.426 3.793 1.00 24.33 C ATOM 385 NE2 HIS A 28 6.824 -30.445 2.942 1.00 71.23 N ATOM 0 H HIS A 28 3.660 -28.516 -0.766 1.00 5.52 H new ATOM 0 HA HIS A 28 2.869 -29.093 1.926 1.00 50.42 H new ATOM 0 HB2 HIS A 28 5.072 -27.770 0.478 1.00 53.42 H new ATOM 0 HB3 HIS A 28 4.676 -26.980 1.991 1.00 53.42 H new ATOM 0 HD2 HIS A 28 7.215 -29.333 1.092 1.00 3.32 H new ATOM 0 HE1 HIS A 28 5.728 -31.029 4.685 1.00 24.33 H new ATOM 0 HE2 HIS A 28 7.654 -31.033 3.019 1.00 71.23 H new ATOM 393 N LYS A 29 1.753 -26.415 0.541 1.00 34.21 N ATOM 394 CA LYS A 29 0.900 -25.245 0.718 1.00 64.43 C ATOM 395 C LYS A 29 1.621 -24.163 1.515 1.00 40.45 C ATOM 396 O LYS A 29 1.163 -23.757 2.583 1.00 40.44 O ATOM 397 CB LYS A 29 -0.398 -25.637 1.427 1.00 3.13 C ATOM 398 CG LYS A 29 -1.069 -26.863 0.834 1.00 74.04 C ATOM 399 CD LYS A 29 -2.461 -27.070 1.408 1.00 1.41 C ATOM 400 CE LYS A 29 -2.413 -27.825 2.727 1.00 2.14 C ATOM 401 NZ LYS A 29 -3.765 -27.969 3.334 1.00 73.24 N ATOM 0 H LYS A 29 1.919 -26.673 -0.432 1.00 34.21 H new ATOM 0 HA LYS A 29 0.661 -24.847 -0.268 1.00 64.43 H new ATOM 0 HB2 LYS A 29 -0.185 -25.823 2.480 1.00 3.13 H new ATOM 0 HB3 LYS A 29 -1.092 -24.798 1.386 1.00 3.13 H new ATOM 0 HG2 LYS A 29 -1.133 -26.756 -0.249 1.00 74.04 H new ATOM 0 HG3 LYS A 29 -0.458 -27.744 1.031 1.00 74.04 H new ATOM 0 HD2 LYS A 29 -2.941 -26.103 1.558 1.00 1.41 H new ATOM 0 HD3 LYS A 29 -3.072 -27.622 0.694 1.00 1.41 H new ATOM 0 HE2 LYS A 29 -1.981 -28.812 2.565 1.00 2.14 H new ATOM 0 HE3 LYS A 29 -1.757 -27.301 3.422 1.00 2.14 H new ATOM 0 HZ1 LYS A 29 -3.689 -28.489 4.231 1.00 73.24 H new ATOM 0 HZ2 LYS A 29 -4.167 -27.027 3.513 1.00 73.24 H new ATOM 0 HZ3 LYS A 29 -4.384 -28.492 2.682 1.00 73.24 H new ATOM 415 N TRP A 30 2.748 -23.699 0.988 1.00 45.21 N ATOM 416 CA TRP A 30 3.531 -22.661 1.650 1.00 22.43 C ATOM 417 C TRP A 30 4.466 -21.972 0.663 1.00 5.44 C ATOM 418 O TRP A 30 4.641 -22.430 -0.466 1.00 25.31 O ATOM 419 CB TRP A 30 4.338 -23.261 2.803 1.00 2.32 C ATOM 420 CG TRP A 30 5.364 -24.257 2.355 1.00 4.11 C ATOM 421 CD1 TRP A 30 5.528 -24.754 1.094 1.00 43.35 C ATOM 422 CD2 TRP A 30 6.367 -24.878 3.167 1.00 60.35 C ATOM 423 NE1 TRP A 30 6.572 -25.647 1.072 1.00 45.41 N ATOM 424 CE2 TRP A 30 7.104 -25.740 2.331 1.00 62.12 C ATOM 425 CE3 TRP A 30 6.715 -24.789 4.517 1.00 63.21 C ATOM 426 CZ2 TRP A 30 8.166 -26.507 2.804 1.00 50.54 C ATOM 427 CZ3 TRP A 30 7.769 -25.551 4.985 1.00 42.13 C ATOM 428 CH2 TRP A 30 8.485 -26.400 4.130 1.00 0.30 C ATOM 0 H TRP A 30 3.140 -24.025 0.105 1.00 45.21 H new ATOM 0 HA TRP A 30 2.841 -21.917 2.047 1.00 22.43 H new ATOM 0 HB2 TRP A 30 4.835 -22.457 3.346 1.00 2.32 H new ATOM 0 HB3 TRP A 30 3.655 -23.743 3.503 1.00 2.32 H new ATOM 0 HD1 TRP A 30 4.925 -24.485 0.239 1.00 43.35 H new ATOM 0 HE1 TRP A 30 6.898 -26.158 0.251 1.00 45.41 H new ATOM 0 HE3 TRP A 30 6.170 -24.136 5.183 1.00 63.21 H new ATOM 0 HZ2 TRP A 30 8.718 -27.163 2.147 1.00 50.54 H new ATOM 0 HZ3 TRP A 30 8.046 -25.491 6.027 1.00 42.13 H new ATOM 0 HH2 TRP A 30 9.305 -26.981 4.526 1.00 0.30 H new ATOM 439 N CYS A 31 5.066 -20.867 1.096 1.00 72.22 N ATOM 440 CA CYS A 31 5.984 -20.113 0.250 1.00 35.52 C ATOM 441 C CYS A 31 7.393 -20.694 0.325 1.00 10.41 C ATOM 442 O CYS A 31 8.203 -20.282 1.156 1.00 33.34 O ATOM 443 CB CYS A 31 6.003 -18.642 0.668 1.00 1.21 C ATOM 444 SG CYS A 31 4.385 -17.814 0.549 1.00 11.42 S ATOM 0 H CYS A 31 4.933 -20.474 2.028 1.00 72.22 H new ATOM 0 HA CYS A 31 5.634 -20.186 -0.780 1.00 35.52 H new ATOM 0 HB2 CYS A 31 6.360 -18.572 1.695 1.00 1.21 H new ATOM 0 HB3 CYS A 31 6.719 -18.107 0.044 1.00 1.21 H new ATOM 449 N LYS A 32 7.680 -21.652 -0.550 1.00 15.23 N ATOM 450 CA LYS A 32 8.991 -22.289 -0.585 1.00 53.35 C ATOM 451 C LYS A 32 9.824 -21.753 -1.745 1.00 62.13 C ATOM 452 O LYS A 32 9.398 -20.849 -2.463 1.00 63.30 O ATOM 453 CB LYS A 32 8.840 -23.806 -0.710 1.00 70.50 C ATOM 454 CG LYS A 32 8.086 -24.243 -1.954 1.00 42.24 C ATOM 455 CD LYS A 32 9.030 -24.772 -3.021 1.00 41.33 C ATOM 456 CE LYS A 32 9.689 -26.072 -2.588 1.00 31.24 C ATOM 457 NZ LYS A 32 10.220 -26.839 -3.748 1.00 43.24 N ATOM 0 H LYS A 32 7.022 -22.004 -1.245 1.00 15.23 H new ATOM 0 HA LYS A 32 9.506 -22.057 0.347 1.00 53.35 H new ATOM 0 HB2 LYS A 32 9.830 -24.262 -0.717 1.00 70.50 H new ATOM 0 HB3 LYS A 32 8.321 -24.185 0.171 1.00 70.50 H new ATOM 0 HG2 LYS A 32 7.364 -25.016 -1.690 1.00 42.24 H new ATOM 0 HG3 LYS A 32 7.520 -23.401 -2.352 1.00 42.24 H new ATOM 0 HD2 LYS A 32 8.479 -24.933 -3.948 1.00 41.33 H new ATOM 0 HD3 LYS A 32 9.797 -24.027 -3.231 1.00 41.33 H new ATOM 0 HE2 LYS A 32 10.501 -25.854 -1.895 1.00 31.24 H new ATOM 0 HE3 LYS A 32 8.966 -26.684 -2.049 1.00 31.24 H new ATOM 0 HZ1 LYS A 32 10.661 -27.718 -3.410 1.00 43.24 H new ATOM 0 HZ2 LYS A 32 9.441 -27.070 -4.397 1.00 43.24 H new ATOM 0 HZ3 LYS A 32 10.929 -26.266 -4.248 1.00 43.24 H new ATOM 471 N GLY A 33 11.014 -22.318 -1.924 1.00 24.44 N ATOM 472 CA GLY A 33 11.888 -21.885 -2.999 1.00 33.42 C ATOM 473 C GLY A 33 11.726 -22.725 -4.250 1.00 45.15 C ATOM 474 O GLY A 33 11.864 -23.948 -4.209 1.00 44.34 O ATOM 0 H GLY A 33 11.389 -23.068 -1.343 1.00 24.44 H new ATOM 0 HA2 GLY A 33 11.679 -20.842 -3.236 1.00 33.42 H new ATOM 0 HA3 GLY A 33 12.924 -21.934 -2.663 1.00 33.42 H new ATOM 478 N LYS A 34 11.432 -22.068 -5.367 1.00 72.44 N ATOM 479 CA LYS A 34 11.251 -22.761 -6.638 1.00 33.14 C ATOM 480 C LYS A 34 12.568 -23.354 -7.127 1.00 22.03 C ATOM 481 O LYS A 34 13.467 -22.628 -7.553 1.00 42.12 O ATOM 482 CB LYS A 34 10.689 -21.802 -7.690 1.00 1.14 C ATOM 483 CG LYS A 34 9.881 -22.494 -8.774 1.00 44.20 C ATOM 484 CD LYS A 34 8.940 -21.526 -9.471 1.00 60.03 C ATOM 485 CE LYS A 34 9.685 -20.633 -10.452 1.00 13.35 C ATOM 486 NZ LYS A 34 10.270 -21.412 -11.578 1.00 12.13 N ATOM 0 H LYS A 34 11.314 -21.056 -5.418 1.00 72.44 H new ATOM 0 HA LYS A 34 10.543 -23.575 -6.482 1.00 33.14 H new ATOM 0 HB2 LYS A 34 10.059 -21.062 -7.196 1.00 1.14 H new ATOM 0 HB3 LYS A 34 11.514 -21.260 -8.153 1.00 1.14 H new ATOM 0 HG2 LYS A 34 10.556 -22.937 -9.506 1.00 44.20 H new ATOM 0 HG3 LYS A 34 9.306 -23.310 -8.336 1.00 44.20 H new ATOM 0 HD2 LYS A 34 8.168 -22.085 -10.000 1.00 60.03 H new ATOM 0 HD3 LYS A 34 8.435 -20.909 -8.728 1.00 60.03 H new ATOM 0 HE2 LYS A 34 9.003 -19.880 -10.847 1.00 13.35 H new ATOM 0 HE3 LYS A 34 10.479 -20.101 -9.928 1.00 13.35 H new ATOM 0 HZ1 LYS A 34 10.433 -20.781 -12.389 1.00 12.13 H new ATOM 0 HZ2 LYS A 34 11.173 -21.831 -11.278 1.00 12.13 H new ATOM 0 HZ3 LYS A 34 9.613 -22.169 -11.855 1.00 12.13 H new ATOM 500 N LEU A 35 12.676 -24.677 -7.064 1.00 10.54 N ATOM 501 CA LEU A 35 13.884 -25.368 -7.502 1.00 13.52 C ATOM 502 C LEU A 35 13.643 -26.106 -8.814 1.00 74.14 C ATOM 503 O LEU A 35 14.232 -25.774 -9.843 1.00 13.32 O ATOM 504 CB LEU A 35 14.350 -26.352 -6.428 1.00 10.13 C ATOM 505 CG LEU A 35 15.481 -27.299 -6.831 1.00 11.24 C ATOM 506 CD1 LEU A 35 16.791 -26.539 -6.964 1.00 5.11 C ATOM 507 CD2 LEU A 35 15.617 -28.427 -5.819 1.00 63.51 C ATOM 0 H LEU A 35 11.942 -25.292 -6.714 1.00 10.54 H new ATOM 0 HA LEU A 35 14.662 -24.622 -7.664 1.00 13.52 H new ATOM 0 HB2 LEU A 35 14.673 -25.782 -5.557 1.00 10.13 H new ATOM 0 HB3 LEU A 35 13.494 -26.952 -6.117 1.00 10.13 H new ATOM 0 HG LEU A 35 15.237 -27.734 -7.800 1.00 11.24 H new ATOM 0 HD11 LEU A 35 17.584 -27.229 -7.251 1.00 5.11 H new ATOM 0 HD12 LEU A 35 16.688 -25.767 -7.726 1.00 5.11 H new ATOM 0 HD13 LEU A 35 17.041 -26.075 -6.010 1.00 5.11 H new ATOM 0 HD21 LEU A 35 16.426 -29.091 -6.121 1.00 63.51 H new ATOM 0 HD22 LEU A 35 15.838 -28.010 -4.837 1.00 63.51 H new ATOM 0 HD23 LEU A 35 14.684 -28.989 -5.773 1.00 63.51 H new TER 519 LEU A 35