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 Set 1.1: A 15 ASN : amide:sc= 0.294 K(o=0.52,f=-5.7!) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -150:sc= 0.227 (180deg=-0.575) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.6!) 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 21 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 25 SER OG : rot 179:sc= 0.238 USER MOD Single : A 26 SER OG : rot 180:sc= 0.127 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0489) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.575 0.879 -1.390 1.00 62.13 N ATOM 2 CA GLY A 1 1.842 -0.132 -0.384 1.00 13.14 C ATOM 3 C GLY A 1 1.825 -1.536 -0.954 1.00 33.45 C ATOM 4 O GLY A 1 0.935 -1.889 -1.727 1.00 44.42 O ATOM 0 H1 GLY A 1 1.598 1.821 -0.950 1.00 62.13 H new ATOM 0 H2 GLY A 1 2.299 0.827 -2.135 1.00 62.13 H new ATOM 0 H3 GLY A 1 0.637 0.714 -1.807 1.00 62.13 H new ATOM 0 HA2 GLY A 1 2.814 0.060 0.071 1.00 13.14 H new ATOM 0 HA3 GLY A 1 1.098 -0.056 0.409 1.00 13.14 H new ATOM 8 N ASN A 2 2.812 -2.340 -0.572 1.00 33.35 N ATOM 9 CA ASN A 2 2.908 -3.714 -1.052 1.00 31.02 C ATOM 10 C ASN A 2 2.486 -4.700 0.033 1.00 20.30 C ATOM 11 O ASN A 2 2.557 -4.397 1.224 1.00 12.30 O ATOM 12 CB ASN A 2 4.337 -4.019 -1.506 1.00 12.40 C ATOM 13 CG ASN A 2 4.385 -5.076 -2.592 1.00 43.44 C ATOM 14 OD1 ASN A 2 3.352 -5.487 -3.120 1.00 31.31 O ATOM 15 ND2 ASN A 2 5.590 -5.520 -2.932 1.00 33.33 N ATOM 0 H ASN A 2 3.556 -2.064 0.068 1.00 33.35 H new ATOM 0 HA ASN A 2 2.233 -3.824 -1.901 1.00 31.02 H new ATOM 0 HB2 ASN A 2 4.802 -3.104 -1.873 1.00 12.40 H new ATOM 0 HB3 ASN A 2 4.924 -4.354 -0.650 1.00 12.40 H new ATOM 0 HD21 ASN A 2 5.686 -6.230 -3.658 1.00 33.33 H new ATOM 0 HD22 ASN A 2 6.419 -5.151 -2.467 1.00 33.33 H new ATOM 22 N ASP A 3 2.048 -5.882 -0.387 1.00 51.25 N ATOM 23 CA ASP A 3 1.616 -6.914 0.548 1.00 60.24 C ATOM 24 C ASP A 3 2.036 -8.298 0.062 1.00 43.23 C ATOM 25 O ASP A 3 1.526 -8.797 -0.942 1.00 1.51 O ATOM 26 CB ASP A 3 0.098 -6.864 0.731 1.00 4.41 C ATOM 27 CG ASP A 3 -0.340 -7.401 2.079 1.00 20.21 C ATOM 28 OD1 ASP A 3 0.373 -7.157 3.075 1.00 73.21 O ATOM 29 OD2 ASP A 3 -1.395 -8.067 2.138 1.00 14.42 O ATOM 0 H ASP A 3 1.983 -6.149 -1.369 1.00 51.25 H new ATOM 0 HA ASP A 3 2.097 -6.724 1.508 1.00 60.24 H new ATOM 0 HB2 ASP A 3 -0.244 -5.835 0.625 1.00 4.41 H new ATOM 0 HB3 ASP A 3 -0.380 -7.442 -0.060 1.00 4.41 H new ATOM 34 N CYS A 4 2.970 -8.913 0.779 1.00 4.23 N ATOM 35 CA CYS A 4 3.461 -10.238 0.421 1.00 23.05 C ATOM 36 C CYS A 4 3.828 -11.037 1.669 1.00 62.34 C ATOM 37 O CYS A 4 3.739 -10.535 2.790 1.00 71.21 O ATOM 38 CB CYS A 4 4.677 -10.123 -0.500 1.00 3.22 C ATOM 39 SG CYS A 4 5.916 -8.906 0.052 1.00 32.34 S ATOM 0 H CYS A 4 3.402 -8.514 1.612 1.00 4.23 H new ATOM 0 HA CYS A 4 2.664 -10.764 -0.105 1.00 23.05 H new ATOM 0 HB2 CYS A 4 5.153 -11.100 -0.579 1.00 3.22 H new ATOM 0 HB3 CYS A 4 4.338 -9.852 -1.500 1.00 3.22 H new ATOM 44 N LEU A 5 4.241 -12.283 1.465 1.00 22.44 N ATOM 45 CA LEU A 5 4.622 -13.153 2.573 1.00 65.23 C ATOM 46 C LEU A 5 6.109 -13.489 2.514 1.00 22.14 C ATOM 47 O LEU A 5 6.753 -13.323 1.479 1.00 23.55 O ATOM 48 CB LEU A 5 3.796 -14.440 2.544 1.00 13.13 C ATOM 49 CG LEU A 5 2.277 -14.262 2.517 1.00 43.40 C ATOM 50 CD1 LEU A 5 1.600 -15.530 2.021 1.00 52.41 C ATOM 51 CD2 LEU A 5 1.760 -13.883 3.897 1.00 32.31 C ATOM 0 H LEU A 5 4.321 -12.714 0.544 1.00 22.44 H new ATOM 0 HA LEU A 5 4.424 -12.622 3.504 1.00 65.23 H new ATOM 0 HB2 LEU A 5 4.090 -15.017 1.667 1.00 13.13 H new ATOM 0 HB3 LEU A 5 4.057 -15.035 3.419 1.00 13.13 H new ATOM 0 HG LEU A 5 2.037 -13.453 1.827 1.00 43.40 H new ATOM 0 HD11 LEU A 5 0.520 -15.385 2.009 1.00 52.41 H new ATOM 0 HD12 LEU A 5 1.947 -15.757 1.013 1.00 52.41 H new ATOM 0 HD13 LEU A 5 1.847 -16.358 2.685 1.00 52.41 H new ATOM 0 HD21 LEU A 5 0.678 -13.760 3.859 1.00 32.31 H new ATOM 0 HD22 LEU A 5 2.011 -14.670 4.608 1.00 32.31 H new ATOM 0 HD23 LEU A 5 2.220 -12.947 4.214 1.00 32.31 H new ATOM 63 N GLY A 6 6.648 -13.964 3.633 1.00 32.53 N ATOM 64 CA GLY A 6 8.054 -14.318 3.688 1.00 62.45 C ATOM 65 C GLY A 6 8.307 -15.754 3.271 1.00 43.33 C ATOM 66 O GLY A 6 7.555 -16.319 2.476 1.00 5.12 O ATOM 0 H GLY A 6 6.135 -14.110 4.503 1.00 32.53 H new ATOM 0 HA2 GLY A 6 8.620 -13.649 3.039 1.00 62.45 H new ATOM 0 HA3 GLY A 6 8.424 -14.167 4.702 1.00 62.45 H new ATOM 70 N PHE A 7 9.370 -16.345 3.806 1.00 30.13 N ATOM 71 CA PHE A 7 9.722 -17.723 3.483 1.00 1.22 C ATOM 72 C PHE A 7 8.985 -18.700 4.394 1.00 70.42 C ATOM 73 O PHE A 7 8.656 -18.375 5.534 1.00 12.14 O ATOM 74 CB PHE A 7 11.233 -17.929 3.611 1.00 12.14 C ATOM 75 CG PHE A 7 11.835 -18.683 2.460 1.00 12.13 C ATOM 76 CD1 PHE A 7 11.558 -20.028 2.275 1.00 13.31 C ATOM 77 CD2 PHE A 7 12.678 -18.047 1.564 1.00 43.13 C ATOM 78 CE1 PHE A 7 12.110 -20.725 1.217 1.00 54.43 C ATOM 79 CE2 PHE A 7 13.233 -18.738 0.503 1.00 32.33 C ATOM 80 CZ PHE A 7 12.949 -20.079 0.330 1.00 22.02 C ATOM 0 H PHE A 7 10.003 -15.891 4.465 1.00 30.13 H new ATOM 0 HA PHE A 7 9.422 -17.917 2.453 1.00 1.22 H new ATOM 0 HB2 PHE A 7 11.719 -16.956 3.692 1.00 12.14 H new ATOM 0 HB3 PHE A 7 11.441 -18.467 4.536 1.00 12.14 H new ATOM 0 HD1 PHE A 7 10.903 -20.538 2.966 1.00 13.31 H new ATOM 0 HD2 PHE A 7 12.904 -16.999 1.696 1.00 43.13 H new ATOM 0 HE1 PHE A 7 11.886 -21.773 1.084 1.00 54.43 H new ATOM 0 HE2 PHE A 7 13.888 -18.230 -0.190 1.00 32.33 H new ATOM 0 HZ PHE A 7 13.382 -20.621 -0.497 1.00 22.02 H new ATOM 90 N TRP A 8 8.729 -19.898 3.881 1.00 21.51 N ATOM 91 CA TRP A 8 8.030 -20.924 4.647 1.00 22.13 C ATOM 92 C TRP A 8 6.724 -20.382 5.217 1.00 72.41 C ATOM 93 O TRP A 8 6.283 -20.800 6.288 1.00 54.43 O ATOM 94 CB TRP A 8 8.920 -21.439 5.780 1.00 42.21 C ATOM 95 CG TRP A 8 10.332 -21.704 5.352 1.00 0.43 C ATOM 96 CD1 TRP A 8 11.456 -21.071 5.801 1.00 64.34 C ATOM 97 CD2 TRP A 8 10.769 -22.670 4.390 1.00 2.32 C ATOM 98 NE1 TRP A 8 12.566 -21.586 5.175 1.00 23.00 N ATOM 99 CE2 TRP A 8 12.172 -22.568 4.306 1.00 73.41 C ATOM 100 CE3 TRP A 8 10.113 -23.612 3.593 1.00 11.45 C ATOM 101 CZ2 TRP A 8 12.926 -23.373 3.456 1.00 51.11 C ATOM 102 CZ3 TRP A 8 10.863 -24.409 2.750 1.00 11.02 C ATOM 103 CH2 TRP A 8 12.257 -24.286 2.687 1.00 23.41 C ATOM 0 H TRP A 8 8.995 -20.183 2.938 1.00 21.51 H new ATOM 0 HA TRP A 8 7.797 -21.749 3.974 1.00 22.13 H new ATOM 0 HB2 TRP A 8 8.924 -20.709 6.590 1.00 42.21 H new ATOM 0 HB3 TRP A 8 8.491 -22.357 6.181 1.00 42.21 H new ATOM 0 HD1 TRP A 8 11.470 -20.282 6.539 1.00 64.34 H new ATOM 0 HE1 TRP A 8 13.528 -21.285 5.332 1.00 23.00 H new ATOM 0 HE3 TRP A 8 9.039 -23.715 3.635 1.00 11.45 H new ATOM 0 HZ2 TRP A 8 14.001 -23.280 3.405 1.00 51.11 H new ATOM 0 HZ3 TRP A 8 10.366 -25.139 2.129 1.00 11.02 H new ATOM 0 HH2 TRP A 8 12.815 -24.925 2.018 1.00 23.41 H new ATOM 114 N SER A 9 6.109 -19.451 4.495 1.00 62.25 N ATOM 115 CA SER A 9 4.854 -18.850 4.931 1.00 63.04 C ATOM 116 C SER A 9 3.667 -19.497 4.223 1.00 43.41 C ATOM 117 O SER A 9 3.589 -19.499 2.995 1.00 51.32 O ATOM 118 CB SER A 9 4.865 -17.344 4.661 1.00 72.11 C ATOM 119 OG SER A 9 4.050 -16.654 5.592 1.00 1.52 O ATOM 0 H SER A 9 6.459 -19.096 3.605 1.00 62.25 H new ATOM 0 HA SER A 9 4.751 -19.019 6.003 1.00 63.04 H new ATOM 0 HB2 SER A 9 5.887 -16.968 4.719 1.00 72.11 H new ATOM 0 HB3 SER A 9 4.511 -17.150 3.649 1.00 72.11 H new ATOM 0 HG SER A 9 4.198 -15.689 5.504 1.00 1.52 H new ATOM 125 N ALA A 10 2.746 -20.045 5.008 1.00 55.22 N ATOM 126 CA ALA A 10 1.561 -20.693 4.458 1.00 44.11 C ATOM 127 C ALA A 10 0.852 -19.785 3.459 1.00 44.40 C ATOM 128 O ALA A 10 0.695 -18.587 3.696 1.00 3.44 O ATOM 129 CB ALA A 10 0.611 -21.093 5.577 1.00 63.32 C ATOM 0 H ALA A 10 2.797 -20.053 6.027 1.00 55.22 H new ATOM 0 HA ALA A 10 1.881 -21.591 3.929 1.00 44.11 H new ATOM 0 HB1 ALA A 10 -0.269 -21.576 5.152 1.00 63.32 H new ATOM 0 HB2 ALA A 10 1.114 -21.786 6.251 1.00 63.32 H new ATOM 0 HB3 ALA A 10 0.306 -20.205 6.130 1.00 63.32 H new ATOM 135 N CYS A 11 0.426 -20.362 2.340 1.00 5.24 N ATOM 136 CA CYS A 11 -0.265 -19.605 1.304 1.00 0.31 C ATOM 137 C CYS A 11 -1.215 -20.503 0.516 1.00 4.33 C ATOM 138 O CYS A 11 -1.384 -21.678 0.838 1.00 2.13 O ATOM 139 CB CYS A 11 0.746 -18.957 0.356 1.00 41.11 C ATOM 140 SG CYS A 11 1.985 -20.113 -0.312 1.00 44.00 S ATOM 0 H CYS A 11 0.548 -21.352 2.128 1.00 5.24 H new ATOM 0 HA CYS A 11 -0.850 -18.824 1.789 1.00 0.31 H new ATOM 0 HB2 CYS A 11 0.208 -18.498 -0.474 1.00 41.11 H new ATOM 0 HB3 CYS A 11 1.261 -18.155 0.884 1.00 41.11 H new ATOM 145 N ASN A 12 -1.831 -19.940 -0.518 1.00 12.33 N ATOM 146 CA ASN A 12 -2.764 -20.689 -1.352 1.00 11.13 C ATOM 147 C ASN A 12 -2.161 -20.970 -2.725 1.00 12.03 C ATOM 148 O ASN A 12 -1.486 -20.129 -3.318 1.00 5.34 O ATOM 149 CB ASN A 12 -4.076 -19.917 -1.507 1.00 3.54 C ATOM 150 CG ASN A 12 -5.292 -20.817 -1.406 1.00 50.41 C ATOM 151 OD1 ASN A 12 -5.524 -21.453 -0.378 1.00 64.43 O ATOM 152 ND2 ASN A 12 -6.076 -20.873 -2.477 1.00 21.44 N ATOM 0 H ASN A 12 -1.701 -18.968 -0.799 1.00 12.33 H new ATOM 0 HA ASN A 12 -2.967 -21.641 -0.862 1.00 11.13 H new ATOM 0 HB2 ASN A 12 -4.133 -19.146 -0.739 1.00 3.54 H new ATOM 0 HB3 ASN A 12 -4.083 -19.408 -2.471 1.00 3.54 H new ATOM 0 HD21 ASN A 12 -6.910 -21.461 -2.469 1.00 21.44 H new ATOM 0 HD22 ASN A 12 -5.844 -20.328 -3.308 1.00 21.44 H new ATOM 159 N PRO A 13 -2.411 -22.181 -3.244 1.00 21.32 N ATOM 160 CA PRO A 13 -1.903 -22.601 -4.553 1.00 72.43 C ATOM 161 C PRO A 13 -2.580 -21.861 -5.702 1.00 70.50 C ATOM 162 O PRO A 13 -2.066 -21.827 -6.820 1.00 54.25 O ATOM 163 CB PRO A 13 -2.243 -24.093 -4.604 1.00 13.12 C ATOM 164 CG PRO A 13 -3.406 -24.248 -3.686 1.00 13.44 C ATOM 165 CD PRO A 13 -3.209 -23.234 -2.593 1.00 4.13 C ATOM 0 HA PRO A 13 -0.840 -22.388 -4.665 1.00 72.43 H new ATOM 0 HB2 PRO A 13 -2.494 -24.408 -5.617 1.00 13.12 H new ATOM 0 HB3 PRO A 13 -1.399 -24.703 -4.281 1.00 13.12 H new ATOM 0 HG2 PRO A 13 -4.345 -24.076 -4.213 1.00 13.44 H new ATOM 0 HG3 PRO A 13 -3.449 -25.258 -3.278 1.00 13.44 H new ATOM 0 HD2 PRO A 13 -4.160 -22.848 -2.226 1.00 4.13 H new ATOM 0 HD3 PRO A 13 -2.687 -23.662 -1.737 1.00 4.13 H new ATOM 173 N LYS A 14 -3.736 -21.270 -5.419 1.00 44.13 N ATOM 174 CA LYS A 14 -4.483 -20.528 -6.428 1.00 71.40 C ATOM 175 C LYS A 14 -4.181 -19.036 -6.341 1.00 51.21 C ATOM 176 O LYS A 14 -4.418 -18.289 -7.290 1.00 24.04 O ATOM 177 CB LYS A 14 -5.985 -20.766 -6.257 1.00 31.42 C ATOM 178 CG LYS A 14 -6.351 -22.227 -6.061 1.00 21.53 C ATOM 179 CD LYS A 14 -7.851 -22.446 -6.167 1.00 41.10 C ATOM 180 CE LYS A 14 -8.550 -22.167 -4.845 1.00 63.41 C ATOM 181 NZ LYS A 14 -10.023 -22.360 -4.945 1.00 50.23 N ATOM 0 H LYS A 14 -4.176 -21.290 -4.499 1.00 44.13 H new ATOM 0 HA LYS A 14 -4.174 -20.886 -7.410 1.00 71.40 H new ATOM 0 HB2 LYS A 14 -6.340 -20.193 -5.400 1.00 31.42 H new ATOM 0 HB3 LYS A 14 -6.507 -20.384 -7.134 1.00 31.42 H new ATOM 0 HG2 LYS A 14 -5.840 -22.834 -6.808 1.00 21.53 H new ATOM 0 HG3 LYS A 14 -6.002 -22.563 -5.085 1.00 21.53 H new ATOM 0 HD2 LYS A 14 -8.261 -21.797 -6.941 1.00 41.10 H new ATOM 0 HD3 LYS A 14 -8.049 -23.473 -6.475 1.00 41.10 H new ATOM 0 HE2 LYS A 14 -8.149 -22.827 -4.076 1.00 63.41 H new ATOM 0 HE3 LYS A 14 -8.338 -21.145 -4.531 1.00 63.41 H new ATOM 0 HZ1 LYS A 14 -10.463 -22.160 -4.024 1.00 50.23 H new ATOM 0 HZ2 LYS A 14 -10.410 -21.713 -5.661 1.00 50.23 H new ATOM 0 HZ3 LYS A 14 -10.227 -23.342 -5.220 1.00 50.23 H new ATOM 195 N ASN A 15 -3.656 -18.608 -5.197 1.00 61.53 N ATOM 196 CA ASN A 15 -3.321 -17.205 -4.988 1.00 4.35 C ATOM 197 C ASN A 15 -2.003 -17.067 -4.231 1.00 21.41 C ATOM 198 O ASN A 15 -1.988 -16.959 -3.005 1.00 23.34 O ATOM 199 CB ASN A 15 -4.440 -16.501 -4.217 1.00 63.21 C ATOM 200 CG ASN A 15 -4.343 -14.990 -4.307 1.00 65.53 C ATOM 201 OD1 ASN A 15 -3.628 -14.453 -5.153 1.00 51.35 O ATOM 202 ND2 ASN A 15 -5.063 -14.298 -3.432 1.00 62.24 N ATOM 0 H ASN A 15 -3.454 -19.213 -4.401 1.00 61.53 H new ATOM 0 HA ASN A 15 -3.210 -16.735 -5.965 1.00 4.35 H new ATOM 0 HB2 ASN A 15 -5.405 -16.824 -4.607 1.00 63.21 H new ATOM 0 HB3 ASN A 15 -4.402 -16.803 -3.170 1.00 63.21 H new ATOM 0 HD21 ASN A 15 -5.037 -13.278 -3.443 1.00 62.24 H new ATOM 0 HD22 ASN A 15 -5.642 -14.786 -2.748 1.00 62.24 H new ATOM 209 N ASP A 16 -0.899 -17.072 -4.970 1.00 54.04 N ATOM 210 CA ASP A 16 0.424 -16.946 -4.370 1.00 73.22 C ATOM 211 C ASP A 16 0.718 -15.495 -4.003 1.00 21.12 C ATOM 212 O ASP A 16 0.892 -14.645 -4.876 1.00 54.13 O ATOM 213 CB ASP A 16 1.494 -17.470 -5.329 1.00 41.32 C ATOM 214 CG ASP A 16 2.893 -17.051 -4.920 1.00 54.23 C ATOM 215 OD1 ASP A 16 3.245 -15.871 -5.132 1.00 71.43 O ATOM 216 OD2 ASP A 16 3.634 -17.902 -4.388 1.00 25.14 O ATOM 0 H ASP A 16 -0.894 -17.162 -5.986 1.00 54.04 H new ATOM 0 HA ASP A 16 0.441 -17.543 -3.458 1.00 73.22 H new ATOM 0 HB2 ASP A 16 1.441 -18.558 -5.369 1.00 41.32 H new ATOM 0 HB3 ASP A 16 1.287 -17.104 -6.335 1.00 41.32 H new ATOM 221 N LYS A 17 0.772 -15.218 -2.704 1.00 71.24 N ATOM 222 CA LYS A 17 1.045 -13.870 -2.220 1.00 22.42 C ATOM 223 C LYS A 17 2.409 -13.803 -1.540 1.00 41.32 C ATOM 224 O LYS A 17 2.628 -12.986 -0.645 1.00 21.22 O ATOM 225 CB LYS A 17 -0.046 -13.427 -1.243 1.00 1.43 C ATOM 226 CG LYS A 17 -1.287 -12.878 -1.925 1.00 41.12 C ATOM 227 CD LYS A 17 -1.075 -11.452 -2.405 1.00 40.13 C ATOM 228 CE LYS A 17 -2.155 -11.029 -3.389 1.00 50.30 C ATOM 229 NZ LYS A 17 -2.132 -11.855 -4.627 1.00 72.44 N ATOM 0 H LYS A 17 0.630 -15.910 -1.968 1.00 71.24 H new ATOM 0 HA LYS A 17 1.052 -13.197 -3.077 1.00 22.42 H new ATOM 0 HB2 LYS A 17 -0.329 -14.275 -0.619 1.00 1.43 H new ATOM 0 HB3 LYS A 17 0.361 -12.664 -0.579 1.00 1.43 H new ATOM 0 HG2 LYS A 17 -1.549 -13.513 -2.772 1.00 41.12 H new ATOM 0 HG3 LYS A 17 -2.128 -12.908 -1.232 1.00 41.12 H new ATOM 0 HD2 LYS A 17 -1.075 -10.775 -1.550 1.00 40.13 H new ATOM 0 HD3 LYS A 17 -0.097 -11.368 -2.878 1.00 40.13 H new ATOM 0 HE2 LYS A 17 -3.132 -11.114 -2.914 1.00 50.30 H new ATOM 0 HE3 LYS A 17 -2.018 -9.980 -3.650 1.00 50.30 H new ATOM 0 HZ1 LYS A 17 -2.470 -11.287 -5.430 1.00 72.44 H new ATOM 0 HZ2 LYS A 17 -1.160 -12.174 -4.813 1.00 72.44 H new ATOM 0 HZ3 LYS A 17 -2.750 -12.682 -4.504 1.00 72.44 H new ATOM 243 N CYS A 18 3.324 -14.665 -1.972 1.00 14.31 N ATOM 244 CA CYS A 18 4.667 -14.702 -1.406 1.00 72.54 C ATOM 245 C CYS A 18 5.516 -13.555 -1.945 1.00 1.54 C ATOM 246 O CYS A 18 5.134 -12.880 -2.901 1.00 54.11 O ATOM 247 CB CYS A 18 5.338 -16.040 -1.723 1.00 25.23 C ATOM 248 SG CYS A 18 4.293 -17.494 -1.391 1.00 35.33 S ATOM 0 H CYS A 18 3.159 -15.347 -2.712 1.00 14.31 H new ATOM 0 HA CYS A 18 4.583 -14.591 -0.325 1.00 72.54 H new ATOM 0 HB2 CYS A 18 5.630 -16.048 -2.773 1.00 25.23 H new ATOM 0 HB3 CYS A 18 6.254 -16.123 -1.137 1.00 25.23 H new ATOM 253 N CYS A 19 6.671 -13.339 -1.324 1.00 12.45 N ATOM 254 CA CYS A 19 7.575 -12.273 -1.738 1.00 63.24 C ATOM 255 C CYS A 19 8.931 -12.840 -2.149 1.00 43.01 C ATOM 256 O CYS A 19 9.119 -14.055 -2.195 1.00 64.20 O ATOM 257 CB CYS A 19 7.756 -11.259 -0.607 1.00 35.30 C ATOM 258 SG CYS A 19 7.546 -9.525 -1.123 1.00 4.43 S ATOM 0 H CYS A 19 7.003 -13.889 -0.532 1.00 12.45 H new ATOM 0 HA CYS A 19 7.134 -11.771 -2.599 1.00 63.24 H new ATOM 0 HB2 CYS A 19 7.039 -11.481 0.184 1.00 35.30 H new ATOM 0 HB3 CYS A 19 8.751 -11.382 -0.179 1.00 35.30 H new ATOM 263 N ALA A 20 9.873 -11.950 -2.446 1.00 73.34 N ATOM 264 CA ALA A 20 11.212 -12.361 -2.851 1.00 15.02 C ATOM 265 C ALA A 20 11.156 -13.350 -4.010 1.00 53.12 C ATOM 266 O ALA A 20 12.040 -14.191 -4.164 1.00 43.21 O ATOM 267 CB ALA A 20 11.956 -12.969 -1.671 1.00 71.13 C ATOM 0 H ALA A 20 9.733 -10.940 -2.414 1.00 73.34 H new ATOM 0 HA ALA A 20 11.750 -11.476 -3.189 1.00 15.02 H new ATOM 0 HB1 ALA A 20 12.954 -13.272 -1.987 1.00 71.13 H new ATOM 0 HB2 ALA A 20 12.036 -12.232 -0.872 1.00 71.13 H new ATOM 0 HB3 ALA A 20 11.411 -13.840 -1.307 1.00 71.13 H new ATOM 273 N ASN A 21 10.109 -13.243 -4.823 1.00 65.20 N ATOM 274 CA ASN A 21 9.938 -14.130 -5.968 1.00 51.33 C ATOM 275 C ASN A 21 9.796 -15.580 -5.517 1.00 61.21 C ATOM 276 O ASN A 21 10.186 -16.505 -6.231 1.00 72.13 O ATOM 277 CB ASN A 21 11.124 -13.995 -6.926 1.00 33.32 C ATOM 278 CG ASN A 21 11.622 -12.567 -7.032 1.00 2.01 C ATOM 279 OD1 ASN A 21 10.879 -11.666 -7.420 1.00 11.51 O ATOM 280 ND2 ASN A 21 12.887 -12.355 -6.687 1.00 12.34 N ATOM 0 H ASN A 21 9.368 -12.552 -4.710 1.00 65.20 H new ATOM 0 HA ASN A 21 9.025 -13.839 -6.488 1.00 51.33 H new ATOM 0 HB2 ASN A 21 11.937 -14.636 -6.586 1.00 33.32 H new ATOM 0 HB3 ASN A 21 10.831 -14.349 -7.914 1.00 33.32 H new ATOM 0 HD21 ASN A 21 13.279 -11.415 -6.738 1.00 12.34 H new ATOM 0 HD22 ASN A 21 13.467 -13.133 -6.371 1.00 12.34 H new ATOM 287 N LEU A 22 9.236 -15.772 -4.328 1.00 54.11 N ATOM 288 CA LEU A 22 9.041 -17.110 -3.781 1.00 21.13 C ATOM 289 C LEU A 22 7.982 -17.872 -4.570 1.00 33.50 C ATOM 290 O LEU A 22 7.412 -17.351 -5.529 1.00 21.40 O ATOM 291 CB LEU A 22 8.635 -17.026 -2.308 1.00 74.15 C ATOM 292 CG LEU A 22 9.762 -16.742 -1.316 1.00 24.12 C ATOM 293 CD1 LEU A 22 9.224 -16.028 -0.086 1.00 32.22 C ATOM 294 CD2 LEU A 22 10.463 -18.034 -0.921 1.00 2.11 C ATOM 0 H LEU A 22 8.909 -15.018 -3.724 1.00 54.11 H new ATOM 0 HA LEU A 22 9.985 -17.650 -3.861 1.00 21.13 H new ATOM 0 HB2 LEU A 22 7.881 -16.246 -2.204 1.00 74.15 H new ATOM 0 HB3 LEU A 22 8.161 -17.967 -2.029 1.00 74.15 H new ATOM 0 HG LEU A 22 10.490 -16.090 -1.800 1.00 24.12 H new ATOM 0 HD11 LEU A 22 10.041 -15.834 0.609 1.00 32.22 H new ATOM 0 HD12 LEU A 22 8.769 -15.083 -0.384 1.00 32.22 H new ATOM 0 HD13 LEU A 22 8.475 -16.654 0.400 1.00 32.22 H new ATOM 0 HD21 LEU A 22 11.263 -17.813 -0.214 1.00 2.11 H new ATOM 0 HD22 LEU A 22 9.745 -18.710 -0.457 1.00 2.11 H new ATOM 0 HD23 LEU A 22 10.884 -18.506 -1.809 1.00 2.11 H new ATOM 306 N VAL A 23 7.721 -19.109 -4.159 1.00 34.34 N ATOM 307 CA VAL A 23 6.727 -19.943 -4.825 1.00 10.22 C ATOM 308 C VAL A 23 5.816 -20.627 -3.812 1.00 70.51 C ATOM 309 O VAL A 23 6.257 -21.029 -2.735 1.00 5.31 O ATOM 310 CB VAL A 23 7.394 -21.015 -5.706 1.00 61.42 C ATOM 311 CG1 VAL A 23 8.334 -21.878 -4.878 1.00 70.31 C ATOM 312 CG2 VAL A 23 6.340 -21.870 -6.395 1.00 3.53 C ATOM 0 H VAL A 23 8.184 -19.556 -3.368 1.00 34.34 H new ATOM 0 HA VAL A 23 6.132 -19.283 -5.457 1.00 10.22 H new ATOM 0 HB VAL A 23 7.982 -20.514 -6.475 1.00 61.42 H new ATOM 0 HG11 VAL A 23 8.796 -22.630 -5.518 1.00 70.31 H new ATOM 0 HG12 VAL A 23 9.109 -21.251 -4.436 1.00 70.31 H new ATOM 0 HG13 VAL A 23 7.771 -22.372 -4.086 1.00 70.31 H new ATOM 0 HG21 VAL A 23 6.829 -22.622 -7.014 1.00 3.53 H new ATOM 0 HG22 VAL A 23 5.723 -22.363 -5.644 1.00 3.53 H new ATOM 0 HG23 VAL A 23 5.711 -21.238 -7.022 1.00 3.53 H new ATOM 322 N CYS A 24 4.542 -20.759 -4.165 1.00 14.41 N ATOM 323 CA CYS A 24 3.566 -21.395 -3.288 1.00 24.03 C ATOM 324 C CYS A 24 3.371 -22.861 -3.664 1.00 42.12 C ATOM 325 O CYS A 24 2.607 -23.182 -4.574 1.00 61.41 O ATOM 326 CB CYS A 24 2.228 -20.657 -3.357 1.00 43.44 C ATOM 327 SG CYS A 24 1.145 -20.944 -1.921 1.00 51.23 S ATOM 0 H CYS A 24 4.161 -20.434 -5.053 1.00 14.41 H new ATOM 0 HA CYS A 24 3.947 -21.347 -2.268 1.00 24.03 H new ATOM 0 HB2 CYS A 24 2.419 -19.588 -3.446 1.00 43.44 H new ATOM 0 HB3 CYS A 24 1.703 -20.963 -4.262 1.00 43.44 H new ATOM 332 N SER A 25 4.067 -23.745 -2.957 1.00 64.43 N ATOM 333 CA SER A 25 3.974 -25.177 -3.219 1.00 12.10 C ATOM 334 C SER A 25 2.545 -25.674 -3.018 1.00 43.42 C ATOM 335 O SER A 25 1.979 -25.547 -1.932 1.00 63.34 O ATOM 336 CB SER A 25 4.927 -25.948 -2.304 1.00 1.43 C ATOM 337 OG SER A 25 4.640 -27.335 -2.321 1.00 20.25 O ATOM 0 H SER A 25 4.701 -23.495 -2.198 1.00 64.43 H new ATOM 0 HA SER A 25 4.259 -25.350 -4.257 1.00 12.10 H new ATOM 0 HB2 SER A 25 5.956 -25.783 -2.623 1.00 1.43 H new ATOM 0 HB3 SER A 25 4.844 -25.569 -1.285 1.00 1.43 H new ATOM 0 HG SER A 25 5.274 -27.807 -1.742 1.00 20.25 H new ATOM 343 N SER A 26 1.968 -26.239 -4.074 1.00 22.13 N ATOM 344 CA SER A 26 0.604 -26.752 -4.016 1.00 4.11 C ATOM 345 C SER A 26 0.523 -27.978 -3.112 1.00 70.43 C ATOM 346 O SER A 26 -0.565 -28.437 -2.765 1.00 33.52 O ATOM 347 CB SER A 26 0.110 -27.105 -5.420 1.00 31.10 C ATOM 348 OG SER A 26 1.196 -27.293 -6.311 1.00 31.43 O ATOM 0 H SER A 26 2.424 -26.353 -4.979 1.00 22.13 H new ATOM 0 HA SER A 26 -0.034 -25.973 -3.599 1.00 4.11 H new ATOM 0 HB2 SER A 26 -0.492 -28.013 -5.379 1.00 31.10 H new ATOM 0 HB3 SER A 26 -0.536 -26.310 -5.792 1.00 31.10 H new ATOM 0 HG SER A 26 0.854 -27.519 -7.201 1.00 31.43 H new ATOM 354 N LYS A 27 1.683 -28.505 -2.735 1.00 31.23 N ATOM 355 CA LYS A 27 1.746 -29.678 -1.870 1.00 40.24 C ATOM 356 C LYS A 27 1.858 -29.268 -0.405 1.00 61.53 C ATOM 357 O LYS A 27 0.954 -29.522 0.391 1.00 12.33 O ATOM 358 CB LYS A 27 2.936 -30.559 -2.257 1.00 42.44 C ATOM 359 CG LYS A 27 2.600 -31.611 -3.300 1.00 25.12 C ATOM 360 CD LYS A 27 2.728 -31.060 -4.710 1.00 45.10 C ATOM 361 CE LYS A 27 2.698 -32.171 -5.748 1.00 31.52 C ATOM 362 NZ LYS A 27 1.431 -32.953 -5.687 1.00 5.43 N ATOM 0 H LYS A 27 2.593 -28.138 -3.015 1.00 31.23 H new ATOM 0 HA LYS A 27 0.824 -30.245 -2.001 1.00 40.24 H new ATOM 0 HB2 LYS A 27 3.738 -29.926 -2.637 1.00 42.44 H new ATOM 0 HB3 LYS A 27 3.317 -31.054 -1.364 1.00 42.44 H new ATOM 0 HG2 LYS A 27 3.264 -32.467 -3.181 1.00 25.12 H new ATOM 0 HG3 LYS A 27 1.584 -31.971 -3.140 1.00 25.12 H new ATOM 0 HD2 LYS A 27 1.916 -30.359 -4.903 1.00 45.10 H new ATOM 0 HD3 LYS A 27 3.660 -30.502 -4.800 1.00 45.10 H new ATOM 0 HE2 LYS A 27 2.812 -31.741 -6.743 1.00 31.52 H new ATOM 0 HE3 LYS A 27 3.545 -32.839 -5.590 1.00 31.52 H new ATOM 0 HZ1 LYS A 27 1.412 -33.645 -6.463 1.00 5.43 H new ATOM 0 HZ2 LYS A 27 1.375 -33.453 -4.777 1.00 5.43 H new ATOM 0 HZ3 LYS A 27 0.620 -32.308 -5.779 1.00 5.43 H new ATOM 376 N HIS A 28 2.972 -28.633 -0.057 1.00 25.24 N ATOM 377 CA HIS A 28 3.201 -28.187 1.313 1.00 3.20 C ATOM 378 C HIS A 28 2.333 -26.976 1.642 1.00 32.41 C ATOM 379 O HIS A 28 2.121 -26.650 2.810 1.00 1.32 O ATOM 380 CB HIS A 28 4.676 -27.842 1.520 1.00 45.13 C ATOM 381 CG HIS A 28 5.435 -28.886 2.280 1.00 12.12 C ATOM 382 ND1 HIS A 28 5.959 -30.016 1.689 1.00 43.45 N ATOM 383 CD2 HIS A 28 5.757 -28.966 3.592 1.00 3.13 C ATOM 384 CE1 HIS A 28 6.570 -30.746 2.604 1.00 22.21 C ATOM 385 NE2 HIS A 28 6.463 -30.131 3.768 1.00 75.00 N ATOM 0 H HIS A 28 3.730 -28.416 -0.704 1.00 25.24 H new ATOM 0 HA HIS A 28 2.928 -29.001 1.984 1.00 3.20 H new ATOM 0 HB2 HIS A 28 5.147 -27.698 0.548 1.00 45.13 H new ATOM 0 HB3 HIS A 28 4.747 -26.893 2.052 1.00 45.13 H new ATOM 0 HD2 HIS A 28 5.506 -28.247 4.358 1.00 3.13 H new ATOM 0 HE1 HIS A 28 7.072 -31.686 2.430 1.00 22.21 H new ATOM 0 HE2 HIS A 28 6.843 -30.466 4.653 1.00 75.00 H new ATOM 393 N LYS A 29 1.833 -26.314 0.605 1.00 55.42 N ATOM 394 CA LYS A 29 0.987 -25.139 0.782 1.00 35.44 C ATOM 395 C LYS A 29 1.713 -24.061 1.580 1.00 72.00 C ATOM 396 O LYS A 29 1.258 -23.655 2.649 1.00 1.14 O ATOM 397 CB LYS A 29 -0.314 -25.525 1.492 1.00 43.33 C ATOM 398 CG LYS A 29 -1.006 -26.731 0.881 1.00 44.14 C ATOM 399 CD LYS A 29 -2.457 -26.823 1.320 1.00 31.34 C ATOM 400 CE LYS A 29 -3.301 -27.577 0.304 1.00 43.25 C ATOM 401 NZ LYS A 29 -2.894 -29.005 0.195 1.00 60.21 N ATOM 0 H LYS A 29 1.999 -26.571 -0.368 1.00 55.42 H new ATOM 0 HA LYS A 29 0.752 -24.739 -0.204 1.00 35.44 H new ATOM 0 HB2 LYS A 29 -0.098 -25.733 2.540 1.00 43.33 H new ATOM 0 HB3 LYS A 29 -0.996 -24.675 1.470 1.00 43.33 H new ATOM 0 HG2 LYS A 29 -0.957 -26.668 -0.206 1.00 44.14 H new ATOM 0 HG3 LYS A 29 -0.479 -27.640 1.171 1.00 44.14 H new ATOM 0 HD2 LYS A 29 -2.515 -27.325 2.286 1.00 31.34 H new ATOM 0 HD3 LYS A 29 -2.861 -25.820 1.457 1.00 31.34 H new ATOM 0 HE2 LYS A 29 -4.351 -27.520 0.590 1.00 43.25 H new ATOM 0 HE3 LYS A 29 -3.210 -27.098 -0.671 1.00 43.25 H new ATOM 0 HZ1 LYS A 29 -3.493 -29.484 -0.507 1.00 60.21 H new ATOM 0 HZ2 LYS A 29 -1.899 -29.061 -0.103 1.00 60.21 H new ATOM 0 HZ3 LYS A 29 -3.005 -29.469 1.119 1.00 60.21 H new ATOM 415 N TRP A 30 2.841 -23.601 1.052 1.00 25.15 N ATOM 416 CA TRP A 30 3.630 -22.568 1.716 1.00 75.25 C ATOM 417 C TRP A 30 4.566 -21.880 0.728 1.00 31.33 C ATOM 418 O TRP A 30 4.737 -22.337 -0.402 1.00 71.42 O ATOM 419 CB TRP A 30 4.436 -23.173 2.866 1.00 41.11 C ATOM 420 CG TRP A 30 5.453 -24.177 2.415 1.00 72.43 C ATOM 421 CD1 TRP A 30 5.614 -24.670 1.151 1.00 34.12 C ATOM 422 CD2 TRP A 30 6.448 -24.813 3.225 1.00 52.32 C ATOM 423 NE1 TRP A 30 6.649 -25.573 1.127 1.00 33.50 N ATOM 424 CE2 TRP A 30 7.177 -25.678 2.386 1.00 25.13 C ATOM 425 CE3 TRP A 30 6.795 -24.733 4.576 1.00 32.41 C ATOM 426 CZ2 TRP A 30 8.231 -26.457 2.857 1.00 33.41 C ATOM 427 CZ3 TRP A 30 7.840 -25.508 5.042 1.00 42.21 C ATOM 428 CH2 TRP A 30 8.549 -26.360 4.185 1.00 72.05 C ATOM 0 H TRP A 30 3.230 -23.926 0.167 1.00 25.15 H new ATOM 0 HA TRP A 30 2.944 -21.822 2.117 1.00 75.25 H new ATOM 0 HB2 TRP A 30 4.941 -22.373 3.407 1.00 41.11 H new ATOM 0 HB3 TRP A 30 3.752 -23.650 3.568 1.00 41.11 H new ATOM 0 HD1 TRP A 30 5.016 -24.391 0.296 1.00 34.12 H new ATOM 0 HE1 TRP A 30 6.972 -26.083 0.305 1.00 33.50 H new ATOM 0 HE3 TRP A 30 6.256 -24.077 5.244 1.00 32.41 H new ATOM 0 HZ2 TRP A 30 8.778 -27.115 2.198 1.00 33.41 H new ATOM 0 HZ3 TRP A 30 8.115 -25.456 6.085 1.00 42.21 H new ATOM 0 HH2 TRP A 30 9.362 -26.952 4.580 1.00 72.05 H new ATOM 439 N CYS A 31 5.171 -20.779 1.162 1.00 74.41 N ATOM 440 CA CYS A 31 6.090 -20.028 0.316 1.00 0.33 C ATOM 441 C CYS A 31 7.497 -20.615 0.387 1.00 51.55 C ATOM 442 O CYS A 31 8.312 -20.205 1.213 1.00 21.24 O ATOM 443 CB CYS A 31 6.117 -18.557 0.738 1.00 63.23 C ATOM 444 SG CYS A 31 4.502 -17.723 0.629 1.00 14.42 S ATOM 0 H CYS A 31 5.041 -20.387 2.095 1.00 74.41 H new ATOM 0 HA CYS A 31 5.738 -20.098 -0.713 1.00 0.33 H new ATOM 0 HB2 CYS A 31 6.480 -18.491 1.764 1.00 63.23 H new ATOM 0 HB3 CYS A 31 6.832 -18.024 0.112 1.00 63.23 H new ATOM 449 N LYS A 32 7.775 -21.576 -0.487 1.00 61.21 N ATOM 450 CA LYS A 32 9.083 -22.219 -0.527 1.00 30.50 C ATOM 451 C LYS A 32 9.915 -21.690 -1.691 1.00 35.00 C ATOM 452 O LYS A 32 9.468 -20.825 -2.443 1.00 14.11 O ATOM 453 CB LYS A 32 8.924 -23.737 -0.648 1.00 44.23 C ATOM 454 CG LYS A 32 8.179 -24.172 -1.898 1.00 63.51 C ATOM 455 CD LYS A 32 9.124 -24.755 -2.936 1.00 1.20 C ATOM 456 CE LYS A 32 9.720 -26.074 -2.469 1.00 44.11 C ATOM 457 NZ LYS A 32 8.977 -27.243 -3.015 1.00 53.21 N ATOM 0 H LYS A 32 7.112 -21.927 -1.178 1.00 61.21 H new ATOM 0 HA LYS A 32 9.603 -21.987 0.403 1.00 30.50 H new ATOM 0 HB2 LYS A 32 9.911 -24.199 -0.644 1.00 44.23 H new ATOM 0 HB3 LYS A 32 8.394 -24.110 0.229 1.00 44.23 H new ATOM 0 HG2 LYS A 32 7.425 -24.914 -1.634 1.00 63.51 H new ATOM 0 HG3 LYS A 32 7.651 -23.319 -2.324 1.00 63.51 H new ATOM 0 HD2 LYS A 32 8.588 -24.908 -3.872 1.00 1.20 H new ATOM 0 HD3 LYS A 32 9.925 -24.045 -3.140 1.00 1.20 H new ATOM 0 HE2 LYS A 32 10.764 -26.131 -2.778 1.00 44.11 H new ATOM 0 HE3 LYS A 32 9.708 -26.113 -1.380 1.00 44.11 H new ATOM 0 HZ1 LYS A 32 9.414 -28.123 -2.673 1.00 53.21 H new ATOM 0 HZ2 LYS A 32 7.987 -27.203 -2.699 1.00 53.21 H new ATOM 0 HZ3 LYS A 32 9.010 -27.221 -4.054 1.00 53.21 H new ATOM 471 N GLY A 33 11.127 -22.217 -1.834 1.00 50.24 N ATOM 472 CA GLY A 33 12.001 -21.786 -2.910 1.00 14.31 C ATOM 473 C GLY A 33 11.865 -22.649 -4.148 1.00 51.05 C ATOM 474 O GLY A 33 12.062 -23.863 -4.093 1.00 74.12 O ATOM 0 H GLY A 33 11.519 -22.934 -1.224 1.00 50.24 H new ATOM 0 HA2 GLY A 33 11.774 -20.751 -3.166 1.00 14.31 H new ATOM 0 HA3 GLY A 33 13.035 -21.810 -2.566 1.00 14.31 H new ATOM 478 N LYS A 34 11.526 -22.022 -5.270 1.00 71.51 N ATOM 479 CA LYS A 34 11.363 -22.740 -6.529 1.00 20.32 C ATOM 480 C LYS A 34 12.657 -23.444 -6.925 1.00 50.02 C ATOM 481 O LYS A 34 13.632 -22.800 -7.315 1.00 54.25 O ATOM 482 CB LYS A 34 10.934 -21.777 -7.637 1.00 51.54 C ATOM 483 CG LYS A 34 10.271 -22.464 -8.818 1.00 63.45 C ATOM 484 CD LYS A 34 10.332 -21.605 -10.070 1.00 53.20 C ATOM 485 CE LYS A 34 9.380 -20.422 -9.980 1.00 4.51 C ATOM 486 NZ LYS A 34 7.972 -20.820 -10.254 1.00 31.13 N ATOM 0 H LYS A 34 11.359 -21.018 -5.333 1.00 71.51 H new ATOM 0 HA LYS A 34 10.588 -23.494 -6.391 1.00 20.32 H new ATOM 0 HB2 LYS A 34 10.245 -21.042 -7.221 1.00 51.54 H new ATOM 0 HB3 LYS A 34 11.808 -21.230 -7.990 1.00 51.54 H new ATOM 0 HG2 LYS A 34 10.762 -23.419 -9.007 1.00 63.45 H new ATOM 0 HG3 LYS A 34 9.231 -22.682 -8.576 1.00 63.45 H new ATOM 0 HD2 LYS A 34 11.350 -21.244 -10.216 1.00 53.20 H new ATOM 0 HD3 LYS A 34 10.081 -22.210 -10.941 1.00 53.20 H new ATOM 0 HE2 LYS A 34 9.445 -19.979 -8.986 1.00 4.51 H new ATOM 0 HE3 LYS A 34 9.686 -19.655 -10.692 1.00 4.51 H new ATOM 0 HZ1 LYS A 34 7.355 -19.986 -10.183 1.00 31.13 H new ATOM 0 HZ2 LYS A 34 7.904 -21.220 -11.212 1.00 31.13 H new ATOM 0 HZ3 LYS A 34 7.671 -21.533 -9.559 1.00 31.13 H new ATOM 500 N LEU A 35 12.660 -24.769 -6.824 1.00 55.51 N ATOM 501 CA LEU A 35 13.834 -25.560 -7.174 1.00 32.32 C ATOM 502 C LEU A 35 13.806 -25.953 -8.647 1.00 64.43 C ATOM 503 O LEU A 35 13.018 -26.804 -9.059 1.00 33.23 O ATOM 504 CB LEU A 35 13.906 -26.814 -6.301 1.00 22.41 C ATOM 505 CG LEU A 35 14.987 -27.830 -6.673 1.00 72.15 C ATOM 506 CD1 LEU A 35 16.368 -27.200 -6.577 1.00 55.04 C ATOM 507 CD2 LEU A 35 14.895 -29.058 -5.779 1.00 65.03 C ATOM 0 H LEU A 35 11.862 -25.318 -6.503 1.00 55.51 H new ATOM 0 HA LEU A 35 14.720 -24.950 -6.997 1.00 32.32 H new ATOM 0 HB2 LEU A 35 14.066 -26.505 -5.268 1.00 22.41 H new ATOM 0 HB3 LEU A 35 12.938 -27.314 -6.337 1.00 22.41 H new ATOM 0 HG LEU A 35 14.825 -28.143 -7.704 1.00 72.15 H new ATOM 0 HD11 LEU A 35 17.124 -27.938 -6.845 1.00 55.04 H new ATOM 0 HD12 LEU A 35 16.430 -26.353 -7.260 1.00 55.04 H new ATOM 0 HD13 LEU A 35 16.541 -26.857 -5.557 1.00 55.04 H new ATOM 0 HD21 LEU A 35 15.672 -29.770 -6.058 1.00 65.03 H new ATOM 0 HD22 LEU A 35 15.031 -28.762 -4.739 1.00 65.03 H new ATOM 0 HD23 LEU A 35 13.916 -29.523 -5.899 1.00 65.03 H new TER 519 LEU A 35