USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 265 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 ASN : amide:sc=-0.00549 K(o=-0.0055,f=-1.4) USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.111 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0484) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -0.0592 (180deg=-0.306) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= -0.212 (180deg=-1.24) USER MOD Single : A 12 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.55) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -150:sc= -0.123 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.538 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.943 -0.895 0.522 1.00 52.43 N ATOM 2 CA SER A 1 2.187 -0.502 -0.861 1.00 24.24 C ATOM 3 C SER A 1 2.039 -1.696 -1.799 1.00 44.41 C ATOM 4 O SER A 1 1.729 -2.805 -1.365 1.00 73.41 O ATOM 5 CB SER A 1 3.584 0.103 -1.003 1.00 3.13 C ATOM 6 OG SER A 1 3.635 1.406 -0.447 1.00 33.44 O ATOM 0 H1 SER A 1 1.176 -0.315 0.917 1.00 52.43 H new ATOM 0 H2 SER A 1 1.671 -1.898 0.555 1.00 52.43 H new ATOM 0 H3 SER A 1 2.808 -0.752 1.081 1.00 52.43 H new ATOM 0 HA SER A 1 1.445 0.248 -1.136 1.00 24.24 H new ATOM 0 HB2 SER A 1 4.313 -0.537 -0.506 1.00 3.13 H new ATOM 0 HB3 SER A 1 3.861 0.143 -2.056 1.00 3.13 H new ATOM 0 HG SER A 1 4.539 1.770 -0.549 1.00 33.44 H new ATOM 12 N GLU A 2 2.265 -1.460 -3.087 1.00 41.25 N ATOM 13 CA GLU A 2 2.157 -2.515 -4.088 1.00 73.01 C ATOM 14 C GLU A 2 3.512 -3.171 -4.336 1.00 11.12 C ATOM 15 O GLU A 2 4.552 -2.636 -3.954 1.00 60.40 O ATOM 16 CB GLU A 2 1.603 -1.953 -5.399 1.00 23.35 C ATOM 17 CG GLU A 2 0.192 -2.421 -5.714 1.00 11.21 C ATOM 18 CD GLU A 2 -0.866 -1.434 -5.259 1.00 4.33 C ATOM 19 OE1 GLU A 2 -0.538 -0.543 -4.448 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 -2.022 -1.553 -5.716 1.00 33.02 O ATOM 0 H GLU A 2 2.524 -0.548 -3.462 1.00 41.25 H new ATOM 0 HA GLU A 2 1.470 -3.271 -3.707 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.613 -0.864 -5.351 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.264 -2.242 -6.216 1.00 23.35 H new ATOM 0 HG2 GLU A 2 0.097 -2.580 -6.788 1.00 11.21 H new ATOM 0 HG3 GLU A 2 0.017 -3.383 -5.233 1.00 11.21 H new ATOM 27 N CYS A 3 3.491 -4.335 -4.977 1.00 42.14 N ATOM 28 CA CYS A 3 4.716 -5.065 -5.276 1.00 42.15 C ATOM 29 C CYS A 3 4.759 -5.479 -6.744 1.00 30.34 C ATOM 30 O CYS A 3 3.867 -5.142 -7.521 1.00 64.22 O ATOM 31 CB CYS A 3 4.828 -6.303 -4.384 1.00 34.30 C ATOM 32 SG CYS A 3 3.302 -7.293 -4.291 1.00 72.02 S ATOM 0 H CYS A 3 2.638 -4.793 -5.299 1.00 42.14 H new ATOM 0 HA CYS A 3 5.560 -4.404 -5.078 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.635 -6.934 -4.756 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.106 -5.989 -3.378 1.00 34.30 H new ATOM 37 N GLY A 4 5.804 -6.212 -7.117 1.00 4.44 N ATOM 38 CA GLY A 4 5.943 -6.659 -8.491 1.00 13.42 C ATOM 39 C GLY A 4 4.853 -7.631 -8.898 1.00 43.02 C ATOM 40 O GLY A 4 3.759 -7.620 -8.333 1.00 51.20 O ATOM 0 H GLY A 4 6.556 -6.504 -6.493 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.921 -5.795 -9.155 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.916 -7.134 -8.618 1.00 13.42 H new ATOM 44 N LYS A 5 5.149 -8.471 -9.884 1.00 14.14 N ATOM 45 CA LYS A 5 4.186 -9.453 -10.368 1.00 71.53 C ATOM 46 C LYS A 5 4.847 -10.435 -11.330 1.00 3.13 C ATOM 47 O LYS A 5 6.003 -10.259 -11.716 1.00 70.30 O ATOM 48 CB LYS A 5 3.017 -8.751 -11.062 1.00 45.22 C ATOM 49 CG LYS A 5 1.654 -9.186 -10.548 1.00 15.10 C ATOM 50 CD LYS A 5 0.586 -9.055 -11.620 1.00 72.00 C ATOM 51 CE LYS A 5 -0.444 -7.997 -11.254 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.490 -7.856 -12.304 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.049 -8.491 -10.364 1.00 14.14 H new ATOM 0 HA LYS A 5 3.810 -10.010 -9.510 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.120 -7.674 -10.928 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.071 -8.946 -12.133 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.705 -10.221 -10.209 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.380 -8.581 -9.684 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.053 -8.797 -12.570 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.089 -10.015 -11.760 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.914 -8.260 -10.306 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.055 -7.039 -11.108 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.093 -7.038 -12.085 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.036 -7.715 -13.229 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.072 -8.717 -12.332 1.00 33.12 H new ATOM 66 N PHE A 6 4.106 -11.469 -11.715 1.00 1.44 N ATOM 67 CA PHE A 6 4.620 -12.479 -12.633 1.00 43.32 C ATOM 68 C PHE A 6 4.677 -11.940 -14.058 1.00 62.05 C ATOM 69 O PHE A 6 3.799 -11.188 -14.484 1.00 70.24 O ATOM 70 CB PHE A 6 3.748 -13.734 -12.584 1.00 24.12 C ATOM 71 CG PHE A 6 4.098 -14.748 -13.636 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.399 -15.200 -13.777 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.123 -15.250 -14.484 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.724 -16.132 -14.743 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.441 -16.182 -15.452 1.00 72.54 C ATOM 76 CZ PHE A 6 4.744 -16.624 -15.583 1.00 32.12 C ATOM 0 H PHE A 6 3.147 -11.629 -11.405 1.00 1.44 H new ATOM 0 HA PHE A 6 5.632 -12.736 -12.321 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.843 -14.195 -11.601 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.703 -13.446 -12.702 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.170 -14.819 -13.123 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.103 -14.908 -14.386 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.743 -16.476 -14.842 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.672 -16.565 -16.106 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.995 -17.352 -16.340 1.00 32.12 H new ATOM 86 N MET A 7 5.715 -12.328 -14.792 1.00 43.35 N ATOM 87 CA MET A 7 5.885 -11.885 -16.171 1.00 21.13 C ATOM 88 C MET A 7 6.039 -10.368 -16.239 1.00 62.32 C ATOM 89 O MET A 7 5.812 -9.759 -17.284 1.00 44.50 O ATOM 90 CB MET A 7 4.693 -12.327 -17.022 1.00 61.22 C ATOM 91 CG MET A 7 4.947 -13.605 -17.806 1.00 50.33 C ATOM 92 SD MET A 7 3.740 -13.865 -19.119 1.00 74.33 S ATOM 93 CE MET A 7 4.450 -15.280 -19.956 1.00 44.25 C ATOM 0 H MET A 7 6.451 -12.948 -14.455 1.00 43.35 H new ATOM 0 HA MET A 7 6.792 -12.343 -16.565 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.829 -12.474 -16.374 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.438 -11.528 -17.718 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.947 -13.569 -18.239 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.925 -14.455 -17.124 1.00 50.33 H new ATOM 0 HE1 MET A 7 3.815 -15.562 -20.796 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.444 -15.025 -20.322 1.00 44.25 H new ATOM 0 HE3 MET A 7 4.523 -16.116 -19.260 1.00 44.25 H new ATOM 103 N TRP A 8 6.424 -9.766 -15.119 1.00 34.43 N ATOM 104 CA TRP A 8 6.607 -8.321 -15.052 1.00 22.41 C ATOM 105 C TRP A 8 8.088 -7.961 -15.016 1.00 34.33 C ATOM 106 O TRP A 8 8.847 -8.497 -14.208 1.00 51.25 O ATOM 107 CB TRP A 8 5.900 -7.753 -13.821 1.00 44.33 C ATOM 108 CG TRP A 8 4.422 -7.589 -14.007 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.613 -8.320 -14.829 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.578 -6.630 -13.359 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.317 -7.874 -14.730 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.269 -6.839 -13.835 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.800 -5.618 -12.422 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.190 -6.071 -13.405 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.729 -4.857 -11.997 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.437 -5.087 -12.487 1.00 23.11 C ATOM 0 H TRP A 8 6.615 -10.256 -14.245 1.00 34.43 H new ATOM 0 HA TRP A 8 6.168 -7.882 -15.948 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.081 -8.411 -12.971 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.337 -6.786 -13.574 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.943 -9.129 -15.463 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.520 -8.253 -15.241 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.792 -5.434 -12.037 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.193 -6.246 -13.783 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.890 -4.071 -11.274 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.620 -4.476 -12.133 1.00 23.11 H new ATOM 127 N LYS A 9 8.493 -7.052 -15.895 1.00 21.41 N ATOM 128 CA LYS A 9 9.884 -6.618 -15.963 1.00 71.24 C ATOM 129 C LYS A 9 10.397 -6.218 -14.583 1.00 45.12 C ATOM 130 O LYS A 9 9.633 -5.754 -13.736 1.00 22.42 O ATOM 131 CB LYS A 9 10.027 -5.442 -16.932 1.00 71.41 C ATOM 132 CG LYS A 9 9.429 -5.709 -18.303 1.00 42.53 C ATOM 133 CD LYS A 9 8.399 -4.656 -18.676 1.00 21.25 C ATOM 134 CE LYS A 9 6.984 -5.143 -18.412 1.00 65.14 C ATOM 135 NZ LYS A 9 6.465 -4.659 -17.103 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.877 -6.600 -16.571 1.00 21.41 H new ATOM 0 HA LYS A 9 10.482 -7.454 -16.326 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.546 -4.565 -16.499 1.00 71.41 H new ATOM 0 HB3 LYS A 9 11.084 -5.202 -17.046 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.222 -5.724 -19.050 1.00 42.53 H new ATOM 0 HG3 LYS A 9 8.963 -6.694 -18.312 1.00 42.53 H new ATOM 0 HD2 LYS A 9 8.584 -3.746 -18.105 1.00 21.25 H new ATOM 0 HD3 LYS A 9 8.506 -4.398 -19.730 1.00 21.25 H new ATOM 0 HE2 LYS A 9 6.327 -4.801 -19.212 1.00 65.14 H new ATOM 0 HE3 LYS A 9 6.966 -6.233 -18.429 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 5.660 -5.248 -16.809 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 7.217 -4.719 -16.388 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.155 -3.671 -17.197 1.00 63.20 H new ATOM 149 N CYS A 10 11.694 -6.400 -14.363 1.00 44.41 N ATOM 150 CA CYS A 10 12.310 -6.058 -13.086 1.00 52.21 C ATOM 151 C CYS A 10 13.807 -5.816 -13.253 1.00 12.32 C ATOM 152 O CYS A 10 14.479 -6.507 -14.019 1.00 13.12 O ATOM 153 CB CYS A 10 12.072 -7.174 -12.067 1.00 5.43 C ATOM 154 SG CYS A 10 12.966 -8.719 -12.432 1.00 71.00 S ATOM 0 H CYS A 10 12.340 -6.783 -15.053 1.00 44.41 H new ATOM 0 HA CYS A 10 11.850 -5.139 -12.722 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.369 -6.819 -11.080 1.00 5.43 H new ATOM 0 HB3 CYS A 10 11.004 -7.387 -12.021 1.00 5.43 H new ATOM 159 N LYS A 11 14.325 -4.830 -12.528 1.00 64.42 N ATOM 160 CA LYS A 11 15.743 -4.496 -12.593 1.00 41.35 C ATOM 161 C LYS A 11 16.543 -5.324 -11.592 1.00 30.14 C ATOM 162 O LYS A 11 17.772 -5.363 -11.646 1.00 31.31 O ATOM 163 CB LYS A 11 15.950 -3.004 -12.317 1.00 1.10 C ATOM 164 CG LYS A 11 15.389 -2.550 -10.981 1.00 23.24 C ATOM 165 CD LYS A 11 15.675 -1.078 -10.729 1.00 22.43 C ATOM 166 CE LYS A 11 14.943 -0.190 -11.722 1.00 23.11 C ATOM 167 NZ LYS A 11 15.784 0.124 -12.910 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.784 -4.248 -11.888 1.00 64.42 H new ATOM 0 HA LYS A 11 16.100 -4.727 -13.597 1.00 41.35 H new ATOM 0 HB2 LYS A 11 17.017 -2.782 -12.348 1.00 1.10 H new ATOM 0 HB3 LYS A 11 15.481 -2.427 -13.114 1.00 1.10 H new ATOM 0 HG2 LYS A 11 14.313 -2.722 -10.960 1.00 23.24 H new ATOM 0 HG3 LYS A 11 15.823 -3.149 -10.180 1.00 23.24 H new ATOM 0 HD2 LYS A 11 15.374 -0.816 -9.715 1.00 22.43 H new ATOM 0 HD3 LYS A 11 16.748 -0.897 -10.800 1.00 22.43 H new ATOM 0 HE2 LYS A 11 14.027 -0.685 -12.046 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.647 0.737 -11.231 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 15.873 1.155 -13.010 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 16.728 -0.295 -12.787 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 15.339 -0.269 -13.764 1.00 11.12 H new ATOM 181 N ASN A 12 15.837 -5.985 -10.680 1.00 51.45 N ATOM 182 CA ASN A 12 16.483 -6.813 -9.668 1.00 3.12 C ATOM 183 C ASN A 12 15.489 -7.794 -9.053 1.00 14.41 C ATOM 184 O ASN A 12 14.314 -7.813 -9.417 1.00 45.02 O ATOM 185 CB ASN A 12 17.094 -5.935 -8.573 1.00 2.42 C ATOM 186 CG ASN A 12 18.544 -5.592 -8.851 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.371 -6.476 -9.076 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.861 -4.302 -8.833 1.00 73.25 N ATOM 0 H ASN A 12 14.819 -5.963 -10.621 1.00 51.45 H new ATOM 0 HA ASN A 12 17.277 -7.382 -10.152 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.516 -5.015 -8.484 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.022 -6.450 -7.615 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.822 -4.011 -9.010 1.00 73.25 H new ATOM 0 HD22 ASN A 12 18.143 -3.603 -8.642 1.00 73.25 H new ATOM 195 N SER A 13 15.969 -8.605 -8.116 1.00 15.42 N ATOM 196 CA SER A 13 15.124 -9.591 -7.452 1.00 2.01 C ATOM 197 C SER A 13 14.261 -8.932 -6.380 1.00 64.12 C ATOM 198 O SER A 13 13.361 -9.558 -5.821 1.00 55.22 O ATOM 199 CB SER A 13 15.983 -10.692 -6.827 1.00 4.24 C ATOM 200 OG SER A 13 16.306 -10.384 -5.481 1.00 14.12 O ATOM 0 H SER A 13 16.939 -8.599 -7.799 1.00 15.42 H new ATOM 0 HA SER A 13 14.467 -10.034 -8.201 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.449 -11.642 -6.868 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.899 -10.816 -7.405 1.00 4.24 H new ATOM 0 HG SER A 13 16.854 -11.103 -5.103 1.00 14.12 H new ATOM 206 N ASN A 14 14.543 -7.665 -6.099 1.00 2.51 N ATOM 207 CA ASN A 14 13.794 -6.920 -5.093 1.00 2.11 C ATOM 208 C ASN A 14 12.402 -6.563 -5.606 1.00 40.21 C ATOM 209 O ASN A 14 11.464 -6.404 -4.824 1.00 72.22 O ATOM 210 CB ASN A 14 14.549 -5.647 -4.705 1.00 71.03 C ATOM 211 CG ASN A 14 15.808 -5.939 -3.913 1.00 13.31 C ATOM 212 OD1 ASN A 14 16.219 -7.092 -3.784 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.426 -4.893 -3.376 1.00 13.12 N ATOM 0 H ASN A 14 15.285 -7.132 -6.553 1.00 2.51 H new ATOM 0 HA ASN A 14 13.686 -7.553 -4.212 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.811 -5.094 -5.607 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.894 -5.005 -4.116 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.277 -5.028 -2.831 1.00 13.12 H new ATOM 0 HD22 ASN A 14 16.049 -3.955 -3.509 1.00 13.12 H new ATOM 220 N ASP A 15 12.276 -6.441 -6.922 1.00 65.41 N ATOM 221 CA ASP A 15 10.998 -6.105 -7.540 1.00 74.11 C ATOM 222 C ASP A 15 9.991 -7.236 -7.354 1.00 3.03 C ATOM 223 O ASP A 15 8.782 -7.004 -7.310 1.00 52.11 O ATOM 224 CB ASP A 15 11.188 -5.814 -9.029 1.00 34.42 C ATOM 225 CG ASP A 15 10.183 -4.808 -9.555 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.964 -3.780 -8.882 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.613 -5.051 -10.640 1.00 11.11 O1- ATOM 0 H ASP A 15 13.043 -6.570 -7.582 1.00 65.41 H new ATOM 0 HA ASP A 15 10.609 -5.212 -7.051 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.197 -5.437 -9.197 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.097 -6.743 -9.592 1.00 34.42 H new ATOM 232 N CYS A 16 10.497 -8.461 -7.249 1.00 23.35 N ATOM 233 CA CYS A 16 9.643 -9.628 -7.071 1.00 33.41 C ATOM 234 C CYS A 16 8.850 -9.528 -5.770 1.00 13.44 C ATOM 235 O CYS A 16 9.417 -9.312 -4.699 1.00 13.33 O ATOM 236 CB CYS A 16 10.484 -10.906 -7.070 1.00 65.34 C ATOM 237 SG CYS A 16 11.268 -11.280 -8.672 1.00 62.13 S ATOM 0 H CYS A 16 11.495 -8.670 -7.284 1.00 23.35 H new ATOM 0 HA CYS A 16 8.940 -9.663 -7.904 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.260 -10.817 -6.310 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.850 -11.745 -6.783 1.00 65.34 H new ATOM 242 N CYS A 17 7.535 -9.689 -5.872 1.00 51.51 N ATOM 243 CA CYS A 17 6.662 -9.618 -4.707 1.00 14.30 C ATOM 244 C CYS A 17 6.818 -10.859 -3.834 1.00 34.03 C ATOM 245 O CYS A 17 7.313 -10.782 -2.709 1.00 53.55 O ATOM 246 CB CYS A 17 5.203 -9.468 -5.144 1.00 32.13 C ATOM 247 SG CYS A 17 4.060 -9.056 -3.787 1.00 71.00 S ATOM 0 H CYS A 17 7.050 -9.870 -6.751 1.00 51.51 H new ATOM 0 HA CYS A 17 6.950 -8.745 -4.122 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.141 -8.691 -5.906 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.877 -10.398 -5.610 1.00 32.13 H new ATOM 252 N LYS A 18 6.393 -12.003 -4.359 1.00 2.41 N ATOM 253 CA LYS A 18 6.485 -13.261 -3.630 1.00 32.05 C ATOM 254 C LYS A 18 6.431 -14.449 -4.586 1.00 15.02 C ATOM 255 O LYS A 18 5.630 -14.470 -5.520 1.00 34.32 O ATOM 256 CB LYS A 18 5.354 -13.366 -2.606 1.00 73.25 C ATOM 257 CG LYS A 18 5.750 -14.097 -1.334 1.00 5.22 C ATOM 258 CD LYS A 18 6.732 -13.286 -0.508 1.00 54.05 C ATOM 259 CE LYS A 18 6.016 -12.418 0.517 1.00 51.15 C ATOM 260 NZ LYS A 18 5.608 -13.200 1.717 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.981 -12.084 -5.288 1.00 2.41 H new ATOM 0 HA LYS A 18 7.442 -13.280 -3.108 1.00 32.05 H new ATOM 0 HB2 LYS A 18 5.015 -12.363 -2.348 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.509 -13.881 -3.063 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.860 -14.306 -0.741 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.195 -15.059 -1.589 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.422 -13.958 0.002 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.329 -12.655 -1.167 1.00 54.05 H new ATOM 0 HE2 LYS A 18 6.670 -11.601 0.821 1.00 51.15 H new ATOM 0 HE3 LYS A 18 5.135 -11.968 0.060 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 5.124 -12.574 2.391 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 4.964 -13.965 1.431 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 6.451 -13.609 2.168 1.00 61.42 H new ATOM 274 N ASP A 19 7.286 -15.437 -4.345 1.00 60.05 N ATOM 275 CA ASP A 19 7.334 -16.629 -5.183 1.00 34.00 C ATOM 276 C ASP A 19 7.787 -16.282 -6.598 1.00 62.31 C ATOM 277 O ASP A 19 7.556 -17.041 -7.540 1.00 74.31 O ATOM 278 CB ASP A 19 5.962 -17.304 -5.225 1.00 44.15 C ATOM 279 CG ASP A 19 5.322 -17.400 -3.854 1.00 0.10 C ATOM 280 OD1 ASP A 19 5.894 -18.083 -2.979 1.00 31.11 O ATOM 281 OD2 ASP A 19 4.249 -16.791 -3.657 1.00 21.34 O1- ATOM 0 H ASP A 19 7.956 -15.436 -3.576 1.00 60.05 H new ATOM 0 HA ASP A 19 8.057 -17.319 -4.749 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.305 -16.744 -5.891 1.00 44.15 H new ATOM 0 HB3 ASP A 19 6.065 -18.304 -5.646 1.00 44.15 H new ATOM 286 N LEU A 20 8.432 -15.129 -6.740 1.00 15.45 N ATOM 287 CA LEU A 20 8.917 -14.679 -8.040 1.00 3.34 C ATOM 288 C LEU A 20 10.423 -14.442 -8.008 1.00 15.22 C ATOM 289 O LEU A 20 10.991 -14.136 -6.959 1.00 54.12 O ATOM 290 CB LEU A 20 8.196 -13.397 -8.460 1.00 32.33 C ATOM 291 CG LEU A 20 6.921 -13.582 -9.283 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.149 -14.801 -8.805 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.052 -12.335 -9.210 1.00 74.21 C ATOM 0 H LEU A 20 8.631 -14.489 -5.971 1.00 15.45 H new ATOM 0 HA LEU A 20 8.707 -15.462 -8.769 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.945 -12.834 -7.561 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.891 -12.786 -9.036 1.00 32.33 H new ATOM 0 HG LEU A 20 7.204 -13.742 -10.323 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.245 -14.916 -9.403 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.770 -15.690 -8.912 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.877 -14.672 -7.757 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.149 -12.486 -9.802 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.778 -12.143 -8.173 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.606 -11.482 -9.603 1.00 74.21 H new ATOM 305 N VAL A 21 11.064 -14.584 -9.164 1.00 12.02 N ATOM 306 CA VAL A 21 12.505 -14.381 -9.267 1.00 44.43 C ATOM 307 C VAL A 21 12.868 -13.677 -10.570 1.00 71.53 C ATOM 308 O VAL A 21 12.463 -14.102 -11.653 1.00 64.04 O ATOM 309 CB VAL A 21 13.266 -15.718 -9.190 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.204 -16.288 -7.781 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.706 -16.709 -10.200 1.00 70.34 C ATOM 0 H VAL A 21 10.609 -14.838 -10.041 1.00 12.02 H new ATOM 0 HA VAL A 21 12.798 -13.755 -8.424 1.00 44.43 H new ATOM 0 HB VAL A 21 14.312 -15.535 -9.436 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.747 -17.232 -7.746 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.656 -15.583 -7.083 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.164 -16.457 -7.502 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.255 -17.648 -10.132 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.652 -16.889 -9.987 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.809 -16.301 -11.206 1.00 70.34 H new ATOM 321 N CYS A 22 13.634 -12.597 -10.459 1.00 50.54 N ATOM 322 CA CYS A 22 14.053 -11.832 -11.626 1.00 71.21 C ATOM 323 C CYS A 22 14.881 -12.695 -12.574 1.00 73.43 C ATOM 324 O CYS A 22 15.991 -13.111 -12.241 1.00 44.52 O ATOM 325 CB CYS A 22 14.862 -10.606 -11.197 1.00 74.43 C ATOM 326 SG CYS A 22 14.869 -9.254 -12.417 1.00 14.40 S ATOM 0 H CYS A 22 13.977 -12.232 -9.571 1.00 50.54 H new ATOM 0 HA CYS A 22 13.157 -11.501 -12.152 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.460 -10.230 -10.256 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.890 -10.912 -11.004 1.00 74.43 H new ATOM 331 N SER A 23 14.334 -12.959 -13.756 1.00 64.24 N ATOM 332 CA SER A 23 15.020 -13.776 -14.751 1.00 31.22 C ATOM 333 C SER A 23 15.479 -12.924 -15.930 1.00 73.33 C ATOM 334 O SER A 23 14.662 -12.408 -16.693 1.00 61.23 O ATOM 335 CB SER A 23 14.102 -14.896 -15.243 1.00 40.14 C ATOM 336 OG SER A 23 14.408 -16.123 -14.605 1.00 31.01 O ATOM 0 H SER A 23 13.418 -12.619 -14.048 1.00 64.24 H new ATOM 0 HA SER A 23 15.899 -14.217 -14.280 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.063 -14.631 -15.048 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.206 -15.008 -16.322 1.00 40.14 H new ATOM 0 HG SER A 23 14.197 -16.867 -15.208 1.00 31.01 H new ATOM 342 N SER A 24 16.792 -12.780 -16.073 1.00 1.30 N ATOM 343 CA SER A 24 17.362 -11.987 -17.157 1.00 51.40 C ATOM 344 C SER A 24 17.106 -12.650 -18.507 1.00 24.35 C ATOM 345 O SER A 24 17.284 -12.033 -19.557 1.00 53.40 O ATOM 346 CB SER A 24 18.865 -11.800 -16.944 1.00 44.52 C ATOM 347 OG SER A 24 19.468 -12.997 -16.486 1.00 33.02 O ATOM 0 H SER A 24 17.482 -13.202 -15.452 1.00 1.30 H new ATOM 0 HA SER A 24 16.878 -11.010 -17.154 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.332 -11.488 -17.878 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.037 -11.003 -16.221 1.00 44.52 H new ATOM 0 HG SER A 24 20.429 -12.852 -16.359 1.00 33.02 H new ATOM 353 N ARG A 25 16.686 -13.911 -18.470 1.00 75.21 N ATOM 354 CA ARG A 25 16.406 -14.659 -19.690 1.00 43.25 C ATOM 355 C ARG A 25 15.136 -14.147 -20.362 1.00 61.22 C ATOM 356 O ARG A 25 15.115 -13.905 -21.569 1.00 1.33 O ATOM 357 CB ARG A 25 16.266 -16.150 -19.378 1.00 4.34 C ATOM 358 CG ARG A 25 15.583 -16.941 -20.482 1.00 65.22 C ATOM 359 CD ARG A 25 15.848 -18.432 -20.343 1.00 1.10 C ATOM 360 NE ARG A 25 15.296 -19.191 -21.461 1.00 14.51 N ATOM 361 CZ ARG A 25 15.876 -19.272 -22.654 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.020 -18.644 -22.882 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 15.310 -19.984 -23.621 1.00 71.15 N ATOM 0 H ARG A 25 16.532 -14.436 -17.609 1.00 75.21 H new ATOM 0 HA ARG A 25 17.242 -14.515 -20.375 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.256 -16.570 -19.201 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.700 -16.268 -18.454 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.509 -16.757 -20.453 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.939 -16.596 -21.453 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.922 -18.605 -20.282 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.414 -18.792 -19.410 1.00 1.10 H new ATOM 0 HE ARG A 25 14.416 -19.687 -21.319 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.458 -18.097 -22.141 1.00 4.04 H new ATOM 0 HH12 ARG A 25 17.463 -18.708 -23.799 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.430 -20.469 -23.449 1.00 71.15 H new ATOM 0 HH22 ARG A 25 15.756 -20.046 -24.536 1.00 71.15 H new ATOM 377 N TRP A 26 14.080 -13.983 -19.573 1.00 21.33 N ATOM 378 CA TRP A 26 12.805 -13.500 -20.092 1.00 11.24 C ATOM 379 C TRP A 26 12.684 -11.991 -19.919 1.00 12.14 C ATOM 380 O TRP A 26 11.722 -11.377 -20.382 1.00 65.35 O ATOM 381 CB TRP A 26 11.645 -14.202 -19.386 1.00 62.44 C ATOM 382 CG TRP A 26 11.871 -15.670 -19.189 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.330 -16.285 -18.059 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.648 -16.708 -20.149 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.406 -17.642 -18.259 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.993 -17.927 -19.533 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.189 -16.727 -21.469 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.895 -19.149 -20.194 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.091 -17.941 -22.123 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.442 -19.138 -21.485 1.00 42.31 C ATOM 0 H TRP A 26 14.081 -14.177 -18.572 1.00 21.33 H new ATOM 0 HA TRP A 26 12.764 -13.729 -21.157 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.483 -13.733 -18.415 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.734 -14.057 -19.967 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.594 -15.779 -17.142 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.719 -18.326 -17.570 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.916 -15.810 -21.969 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.167 -20.073 -19.705 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.738 -17.967 -23.143 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.353 -20.070 -22.023 1.00 42.31 H new ATOM 401 N LYS A 27 13.666 -11.396 -19.249 1.00 43.14 N ATOM 402 CA LYS A 27 13.670 -9.956 -19.016 1.00 71.25 C ATOM 403 C LYS A 27 12.575 -9.562 -18.030 1.00 75.02 C ATOM 404 O LYS A 27 12.103 -8.425 -18.034 1.00 43.34 O ATOM 405 CB LYS A 27 13.478 -9.204 -20.335 1.00 41.51 C ATOM 406 CG LYS A 27 14.295 -9.771 -21.483 1.00 33.01 C ATOM 407 CD LYS A 27 15.781 -9.771 -21.163 1.00 24.01 C ATOM 408 CE LYS A 27 16.323 -8.356 -21.029 1.00 21.54 C ATOM 409 NZ LYS A 27 17.808 -8.337 -20.942 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.469 -11.889 -18.858 1.00 43.14 H new ATOM 0 HA LYS A 27 14.635 -9.685 -18.588 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.422 -9.226 -20.606 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.748 -8.158 -20.190 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.968 -10.789 -21.696 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.116 -9.183 -22.383 1.00 33.01 H new ATOM 0 HD2 LYS A 27 15.954 -10.317 -20.236 1.00 24.01 H new ATOM 0 HD3 LYS A 27 16.323 -10.296 -21.949 1.00 24.01 H new ATOM 0 HE2 LYS A 27 16.002 -7.762 -21.884 1.00 21.54 H new ATOM 0 HE3 LYS A 27 15.901 -7.888 -20.139 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.138 -7.355 -20.852 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.114 -8.883 -20.111 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 18.212 -8.760 -21.802 1.00 72.21 H new ATOM 423 N TRP A 28 12.176 -10.506 -17.186 1.00 25.15 N ATOM 424 CA TRP A 28 11.137 -10.257 -16.194 1.00 74.44 C ATOM 425 C TRP A 28 11.114 -11.358 -15.140 1.00 44.12 C ATOM 426 O TRP A 28 11.752 -12.398 -15.301 1.00 32.41 O ATOM 427 CB TRP A 28 9.769 -10.154 -16.872 1.00 20.43 C ATOM 428 CG TRP A 28 9.382 -11.395 -17.617 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.294 -12.661 -17.113 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.031 -11.487 -19.003 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.910 -13.535 -18.101 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.742 -12.840 -19.269 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.932 -10.560 -20.043 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.361 -13.284 -20.533 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.555 -11.002 -21.297 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.273 -12.354 -21.533 1.00 71.13 C ATOM 0 H TRP A 28 12.557 -11.452 -17.169 1.00 25.15 H new ATOM 0 HA TRP A 28 11.362 -9.312 -15.700 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.012 -9.941 -16.117 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.776 -9.311 -17.563 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.497 -12.935 -16.088 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.772 -14.539 -17.984 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.146 -9.516 -19.870 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.143 -14.326 -20.717 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.476 -10.294 -22.108 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.980 -12.668 -22.524 1.00 71.13 H new ATOM 447 N CYS A 29 10.375 -11.123 -14.060 1.00 34.14 N ATOM 448 CA CYS A 29 10.270 -12.095 -12.979 1.00 4.32 C ATOM 449 C CYS A 29 9.473 -13.319 -13.424 1.00 65.42 C ATOM 450 O CYS A 29 8.445 -13.195 -14.089 1.00 54.55 O ATOM 451 CB CYS A 29 9.607 -11.459 -11.756 1.00 2.32 C ATOM 452 SG CYS A 29 10.785 -10.816 -10.523 1.00 13.01 S ATOM 0 H CYS A 29 9.840 -10.267 -13.911 1.00 34.14 H new ATOM 0 HA CYS A 29 11.277 -12.415 -12.713 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.963 -10.644 -12.087 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.965 -12.199 -11.278 1.00 2.32 H new ATOM 457 N VAL A 30 9.957 -14.499 -13.052 1.00 54.32 N ATOM 458 CA VAL A 30 9.290 -15.746 -13.410 1.00 70.23 C ATOM 459 C VAL A 30 8.998 -16.588 -12.174 1.00 25.44 C ATOM 460 O VAL A 30 9.685 -16.478 -11.157 1.00 2.32 O ATOM 461 CB VAL A 30 10.139 -16.574 -14.392 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.129 -15.939 -15.775 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.563 -16.719 -13.875 1.00 33.45 C ATOM 0 H VAL A 30 10.808 -14.618 -12.503 1.00 54.32 H new ATOM 0 HA VAL A 30 8.350 -15.475 -13.892 1.00 70.23 H new ATOM 0 HB VAL A 30 9.702 -17.569 -14.472 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.734 -16.538 -16.455 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.105 -15.892 -16.146 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.540 -14.931 -15.716 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.149 -17.307 -14.582 1.00 33.45 H new ATOM 0 HG22 VAL A 30 12.012 -15.732 -13.764 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.550 -17.222 -12.908 1.00 33.45 H new ATOM 473 N LEU A 31 7.974 -17.430 -12.266 1.00 4.15 N ATOM 474 CA LEU A 31 7.590 -18.293 -11.155 1.00 75.23 C ATOM 475 C LEU A 31 8.766 -19.150 -10.699 1.00 50.02 C ATOM 476 O LEU A 31 9.249 -20.004 -11.441 1.00 22.54 O ATOM 477 CB LEU A 31 6.418 -19.189 -11.560 1.00 61.45 C ATOM 478 CG LEU A 31 5.051 -18.802 -10.997 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.044 -18.927 -9.481 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.680 -17.388 -11.419 1.00 41.33 C ATOM 0 H LEU A 31 7.395 -17.533 -13.099 1.00 4.15 H new ATOM 0 HA LEU A 31 7.283 -17.658 -10.324 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.352 -19.196 -12.648 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.642 -20.209 -11.247 1.00 61.45 H new ATOM 0 HG LEU A 31 4.306 -19.487 -11.402 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.063 -18.647 -9.097 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.264 -19.957 -9.200 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.801 -18.266 -9.058 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.704 -17.130 -11.009 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.427 -16.689 -11.044 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.643 -17.331 -12.507 1.00 41.33 H new ATOM 492 N ALA A 32 9.221 -18.916 -9.472 1.00 4.33 N ATOM 493 CA ALA A 32 10.337 -19.670 -8.915 1.00 15.15 C ATOM 494 C ALA A 32 10.042 -21.166 -8.910 1.00 55.54 C ATOM 495 O ALA A 32 8.884 -21.579 -8.933 1.00 73.11 O ATOM 496 CB ALA A 32 10.650 -19.186 -7.507 1.00 71.52 C ATOM 0 H ALA A 32 8.834 -18.210 -8.845 1.00 4.33 H new ATOM 0 HA ALA A 32 11.209 -19.502 -9.547 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.485 -19.758 -7.103 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.914 -18.129 -7.536 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.775 -19.324 -6.872 1.00 71.52 H new ATOM 502 N SER A 33 11.098 -21.973 -8.879 1.00 5.52 N ATOM 503 CA SER A 33 10.951 -23.423 -8.875 1.00 3.12 C ATOM 504 C SER A 33 10.840 -23.954 -7.450 1.00 20.44 C ATOM 505 O SER A 33 11.218 -23.293 -6.483 1.00 14.20 O ATOM 506 CB SER A 33 12.139 -24.078 -9.585 1.00 12.34 C ATOM 507 OG SER A 33 12.655 -25.156 -8.824 1.00 42.23 O ATOM 0 H SER A 33 12.064 -21.647 -8.856 1.00 5.52 H new ATOM 0 HA SER A 33 10.034 -23.673 -9.409 1.00 3.12 H new ATOM 0 HB2 SER A 33 11.828 -24.437 -10.566 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.922 -23.338 -9.750 1.00 12.34 H new ATOM 0 HG SER A 33 13.412 -25.559 -9.299 1.00 42.23 H new ATOM 513 N PRO A 34 10.310 -25.179 -7.315 1.00 13.32 N ATOM 514 CA PRO A 34 10.136 -25.827 -6.011 1.00 50.50 C ATOM 515 C PRO A 34 11.466 -26.227 -5.382 1.00 43.10 C ATOM 516 O PRO A 34 11.655 -26.097 -4.172 1.00 12.32 O ATOM 517 CB PRO A 34 9.305 -27.070 -6.342 1.00 41.21 C ATOM 518 CG PRO A 34 9.608 -27.359 -7.771 1.00 4.12 C ATOM 519 CD PRO A 34 9.839 -26.024 -8.424 1.00 51.01 C ATOM 0 HA PRO A 34 9.666 -25.164 -5.285 1.00 50.50 H new ATOM 0 HB2 PRO A 34 9.577 -27.910 -5.702 1.00 41.21 H new ATOM 0 HB3 PRO A 34 8.241 -26.886 -6.192 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.488 -27.995 -7.862 1.00 4.12 H new ATOM 0 HG3 PRO A 34 8.782 -27.888 -8.246 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.579 -26.089 -9.222 1.00 51.01 H new ATOM 0 HD3 PRO A 34 8.925 -25.631 -8.869 1.00 51.01 H new ATOM 527 N PHE A 35 12.385 -26.714 -6.209 1.00 64.13 N ATOM 528 CA PHE A 35 13.696 -27.134 -5.732 1.00 72.03 C ATOM 529 C PHE A 35 14.806 -26.389 -6.468 1.00 44.31 C ATOM 530 O PHE A 35 15.076 -26.656 -7.638 1.00 62.35 O ATOM 531 CB PHE A 35 13.872 -28.643 -5.916 1.00 53.23 C ATOM 532 CG PHE A 35 14.944 -29.233 -5.047 1.00 63.23 C ATOM 533 CD1 PHE A 35 14.801 -29.261 -3.669 1.00 5.32 C ATOM 534 CD2 PHE A 35 16.096 -29.761 -5.607 1.00 33.02 C ATOM 535 CE1 PHE A 35 15.787 -29.803 -2.866 1.00 42.13 C ATOM 536 CE2 PHE A 35 17.087 -30.304 -4.810 1.00 33.23 C ATOM 537 CZ PHE A 35 16.931 -30.326 -3.438 1.00 1.41 C ATOM 0 H PHE A 35 12.245 -26.827 -7.213 1.00 64.13 H new ATOM 0 HA PHE A 35 13.762 -26.895 -4.671 1.00 72.03 H new ATOM 0 HB2 PHE A 35 12.926 -29.140 -5.700 1.00 53.23 H new ATOM 0 HB3 PHE A 35 14.108 -28.848 -6.960 1.00 53.23 H new ATOM 0 HD1 PHE A 35 13.908 -28.854 -3.217 1.00 5.32 H new ATOM 0 HD2 PHE A 35 16.222 -29.748 -6.680 1.00 33.02 H new ATOM 0 HE1 PHE A 35 15.663 -29.818 -1.793 1.00 42.13 H new ATOM 0 HE2 PHE A 35 17.981 -30.710 -5.260 1.00 33.23 H new ATOM 0 HZ PHE A 35 17.702 -30.751 -2.813 1.00 1.41 H new TER 547 PHE A 35