USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 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 24 GLN : amide:sc= -0.1 K(o=-0.1,f=-3.1!) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -147:sc= -0.256 (180deg=-1.71!) USER MOD Single : A 6 SER OG : rot 180:sc= 0.055 USER MOD Single : A 8 GLN : amide:sc= -3.38! K(o=-3.4!,f=0.0049) USER MOD Single : A 13 SER OG : rot 44:sc= 0.852 USER MOD Single : A 14 GLN : amide:sc= -3.93! K(o=-3.9!,f=-0.44) USER MOD Single : A 18 THR OG1 : rot -59:sc= 1.1 USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.282 (180deg=-1.08) USER MOD Single : A 22 GLN : amide:sc= -0.653 K(o=-0.65,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.71 K(o=-0.71,f=-2.5) USER MOD Single : A 27 MET CE :methyl -154:sc= -0.14 (180deg=-0.678) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 45 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5.5!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.899 14.242 11.453 1.00 0.00 N ATOM 2 CA GLY A 1 -5.222 14.249 12.906 1.00 0.00 C ATOM 3 C GLY A 1 -4.228 13.451 13.725 1.00 0.00 C ATOM 4 O GLY A 1 -3.041 13.408 13.404 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.183 15.149 11.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.876 14.106 11.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.412 13.467 10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.241 15.278 13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.222 13.840 13.055 1.00 0.00 H new ATOM 10 N ARG A 2 -4.713 12.825 14.792 1.00 0.00 N ATOM 11 CA ARG A 2 -3.863 12.021 15.663 1.00 0.00 C ATOM 12 C ARG A 2 -4.632 10.821 16.209 1.00 0.00 C ATOM 13 O ARG A 2 -4.871 10.720 17.412 1.00 0.00 O ATOM 14 CB ARG A 2 -3.326 12.873 16.816 1.00 0.00 C ATOM 15 CG ARG A 2 -2.271 13.880 16.388 1.00 0.00 C ATOM 16 CD ARG A 2 -1.904 14.822 17.523 1.00 0.00 C ATOM 17 NE ARG A 2 -2.989 15.748 17.836 1.00 0.00 N ATOM 18 CZ ARG A 2 -3.002 16.534 18.909 1.00 0.00 C ATOM 19 NH1 ARG A 2 -2.000 16.495 19.777 1.00 0.00 N ATOM 20 NH2 ARG A 2 -4.018 17.360 19.115 1.00 0.00 N ATOM 0 H ARG A 2 -5.692 12.859 15.075 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.022 11.653 15.076 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.156 13.405 17.281 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.902 12.216 17.576 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.379 13.352 16.050 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.641 14.457 15.540 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.656 14.241 18.411 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.012 15.387 17.252 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.782 15.795 17.196 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.216 15.861 19.623 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.013 17.099 20.599 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.791 17.393 18.450 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.027 17.962 19.938 1.00 0.00 H new ATOM 34 N ARG A 3 -5.015 9.911 15.316 1.00 0.00 N ATOM 35 CA ARG A 3 -5.762 8.721 15.712 1.00 0.00 C ATOM 36 C ARG A 3 -5.225 7.477 15.011 1.00 0.00 C ATOM 37 O ARG A 3 -4.463 6.705 15.595 1.00 0.00 O ATOM 38 CB ARG A 3 -7.249 8.898 15.395 1.00 0.00 C ATOM 39 CG ARG A 3 -7.868 10.136 16.026 1.00 0.00 C ATOM 40 CD ARG A 3 -7.932 10.023 17.541 1.00 0.00 C ATOM 41 NE ARG A 3 -8.321 11.283 18.167 1.00 0.00 N ATOM 42 CZ ARG A 3 -9.093 11.365 19.246 1.00 0.00 C ATOM 43 NH1 ARG A 3 -9.575 10.264 19.806 1.00 0.00 N ATOM 44 NH2 ARG A 3 -9.387 12.549 19.764 1.00 0.00 N ATOM 0 H ARG A 3 -4.821 9.975 14.317 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.639 8.589 16.787 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.377 8.950 14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.791 8.017 15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.285 11.015 15.751 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.873 10.283 15.629 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.645 9.246 17.817 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.959 9.713 17.923 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.981 12.151 17.753 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.354 9.351 19.409 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.167 10.330 20.634 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.021 13.399 19.335 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.980 12.611 20.592 1.00 0.00 H new ATOM 58 N ARG A 4 -5.628 7.285 13.757 1.00 0.00 N ATOM 59 CA ARG A 4 -5.201 6.150 12.978 1.00 0.00 C ATOM 60 C ARG A 4 -4.471 6.633 11.721 1.00 0.00 C ATOM 61 O ARG A 4 -3.793 5.865 11.039 1.00 0.00 O ATOM 62 CB ARG A 4 -6.441 5.308 12.638 1.00 0.00 C ATOM 63 CG ARG A 4 -6.512 4.850 11.199 1.00 0.00 C ATOM 64 CD ARG A 4 -5.564 3.693 10.960 1.00 0.00 C ATOM 65 NE ARG A 4 -5.444 3.353 9.544 1.00 0.00 N ATOM 66 CZ ARG A 4 -5.407 2.106 9.086 1.00 0.00 C ATOM 67 NH1 ARG A 4 -5.469 1.082 9.928 1.00 0.00 N ATOM 68 NH2 ARG A 4 -5.307 1.880 7.783 1.00 0.00 N ATOM 0 H ARG A 4 -6.258 7.917 13.263 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.501 5.530 13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.459 4.432 13.286 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.334 5.891 12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.531 4.548 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.259 5.677 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.580 3.946 11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.914 2.821 11.512 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.385 4.116 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.545 1.250 10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.440 0.127 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.258 2.664 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.279 0.923 7.432 1.00 0.00 H new ATOM 82 N ARG A 5 -4.583 7.929 11.453 1.00 0.00 N ATOM 83 CA ARG A 5 -3.952 8.535 10.280 1.00 0.00 C ATOM 84 C ARG A 5 -2.427 8.529 10.386 1.00 0.00 C ATOM 85 O ARG A 5 -1.747 9.216 9.630 1.00 0.00 O ATOM 86 CB ARG A 5 -4.456 9.968 10.091 1.00 0.00 C ATOM 87 CG ARG A 5 -4.016 10.926 11.189 1.00 0.00 C ATOM 88 CD ARG A 5 -2.813 11.753 10.763 1.00 0.00 C ATOM 89 NE ARG A 5 -3.075 12.508 9.541 1.00 0.00 N ATOM 90 CZ ARG A 5 -2.236 13.404 9.033 1.00 0.00 C ATOM 91 NH1 ARG A 5 -1.082 13.656 9.636 1.00 0.00 N ATOM 92 NH2 ARG A 5 -2.552 14.050 7.919 1.00 0.00 N ATOM 0 H ARG A 5 -5.106 8.585 12.033 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.227 7.934 9.413 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.102 10.344 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.545 9.957 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.842 11.590 11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.770 10.361 12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.544 12.441 11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.958 11.096 10.607 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.952 12.338 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.836 13.161 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.441 14.345 9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.439 13.859 7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.908 14.738 7.528 1.00 0.00 H new ATOM 106 N SER A 6 -1.898 7.750 11.324 1.00 0.00 N ATOM 107 CA SER A 6 -0.469 7.645 11.532 1.00 0.00 C ATOM 108 C SER A 6 0.101 6.525 10.675 1.00 0.00 C ATOM 109 O SER A 6 1.311 6.297 10.641 1.00 0.00 O ATOM 110 CB SER A 6 -0.191 7.377 13.006 1.00 0.00 C ATOM 111 OG SER A 6 -1.118 6.449 13.539 1.00 0.00 O ATOM 0 H SER A 6 -2.453 7.176 11.959 1.00 0.00 H new ATOM 0 HA SER A 6 0.010 8.580 11.242 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.822 6.992 13.124 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.245 8.311 13.565 1.00 0.00 H new ATOM 0 HG SER A 6 -0.917 6.293 14.485 1.00 0.00 H new ATOM 117 N VAL A 7 -0.795 5.816 10.004 1.00 0.00 N ATOM 118 CA VAL A 7 -0.420 4.728 9.111 1.00 0.00 C ATOM 119 C VAL A 7 -1.382 4.684 7.928 1.00 0.00 C ATOM 120 O VAL A 7 -1.498 3.684 7.219 1.00 0.00 O ATOM 121 CB VAL A 7 -0.418 3.368 9.825 1.00 0.00 C ATOM 122 CG1 VAL A 7 -1.834 2.963 10.170 1.00 0.00 C ATOM 123 CG2 VAL A 7 0.232 2.324 8.943 1.00 0.00 C ATOM 0 H VAL A 7 -1.800 5.978 10.063 1.00 0.00 H new ATOM 0 HA VAL A 7 0.596 4.920 8.765 1.00 0.00 H new ATOM 0 HB VAL A 7 0.155 3.449 10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.823 1.998 10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.277 3.712 10.827 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.424 2.887 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.230 1.362 9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.324 2.239 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.259 2.618 8.728 1.00 0.00 H new ATOM 133 N GLN A 8 -2.063 5.797 7.730 1.00 0.00 N ATOM 134 CA GLN A 8 -3.032 5.949 6.661 1.00 0.00 C ATOM 135 C GLN A 8 -2.857 7.330 6.090 1.00 0.00 C ATOM 136 O GLN A 8 -3.692 8.216 6.279 1.00 0.00 O ATOM 137 CB GLN A 8 -4.445 5.781 7.199 1.00 0.00 C ATOM 138 CG GLN A 8 -5.518 5.911 6.127 1.00 0.00 C ATOM 139 CD GLN A 8 -6.933 5.934 6.684 1.00 0.00 C ATOM 140 OE1 GLN A 8 -7.806 6.618 6.149 1.00 0.00 O ATOM 141 NE2 GLN A 8 -7.176 5.178 7.750 1.00 0.00 N ATOM 0 H GLN A 8 -1.958 6.628 8.312 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.876 5.191 5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.532 4.803 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.623 6.528 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.345 6.825 5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.425 5.080 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.426 4.625 8.165 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.113 5.151 8.153 1.00 0.00 H new ATOM 150 N TRP A 9 -1.755 7.509 5.399 1.00 0.00 N ATOM 151 CA TRP A 9 -1.420 8.801 4.868 1.00 0.00 C ATOM 152 C TRP A 9 -0.712 8.720 3.513 1.00 0.00 C ATOM 153 O TRP A 9 -1.348 8.441 2.496 1.00 0.00 O ATOM 154 CB TRP A 9 -0.573 9.512 5.918 1.00 0.00 C ATOM 155 CG TRP A 9 0.301 8.621 6.762 1.00 0.00 C ATOM 156 CD1 TRP A 9 0.575 8.797 8.078 1.00 0.00 C ATOM 157 CD2 TRP A 9 0.993 7.433 6.380 1.00 0.00 C ATOM 158 NE1 TRP A 9 1.416 7.820 8.530 1.00 0.00 N ATOM 159 CE2 TRP A 9 1.688 6.968 7.508 1.00 0.00 C ATOM 160 CE3 TRP A 9 1.101 6.727 5.203 1.00 0.00 C ATOM 161 CZ2 TRP A 9 2.479 5.827 7.480 1.00 0.00 C ATOM 162 CZ3 TRP A 9 1.870 5.603 5.175 1.00 0.00 C ATOM 163 CH2 TRP A 9 2.556 5.154 6.301 1.00 0.00 C ATOM 0 H TRP A 9 -1.078 6.774 5.194 1.00 0.00 H new ATOM 0 HA TRP A 9 -2.331 9.365 4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.061 10.241 5.414 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.237 10.070 6.578 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.182 9.599 8.685 1.00 0.00 H new ATOM 0 HE1 TRP A 9 1.780 7.743 9.480 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.584 7.059 4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 3.010 5.489 8.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.950 5.044 4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.157 4.259 6.237 1.00 0.00 H new ATOM 174 N CYS A 10 0.597 8.975 3.496 1.00 0.00 N ATOM 175 CA CYS A 10 1.373 8.905 2.260 1.00 0.00 C ATOM 176 C CYS A 10 1.634 7.448 1.887 1.00 0.00 C ATOM 177 O CYS A 10 2.672 7.108 1.319 1.00 0.00 O ATOM 178 CB CYS A 10 2.698 9.645 2.423 1.00 0.00 C ATOM 179 SG CYS A 10 3.517 10.046 0.846 1.00 0.00 S ATOM 0 H CYS A 10 1.139 9.231 4.321 1.00 0.00 H new ATOM 0 HA CYS A 10 0.801 9.380 1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.522 10.568 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.371 9.036 3.027 1.00 0.00 H new ATOM 184 N ALA A 11 0.671 6.601 2.217 1.00 0.00 N ATOM 185 CA ALA A 11 0.748 5.174 1.959 1.00 0.00 C ATOM 186 C ALA A 11 0.396 4.849 0.511 1.00 0.00 C ATOM 187 O ALA A 11 -0.665 4.293 0.228 1.00 0.00 O ATOM 188 CB ALA A 11 -0.180 4.440 2.920 1.00 0.00 C ATOM 0 H ALA A 11 -0.193 6.889 2.676 1.00 0.00 H new ATOM 0 HA ALA A 11 1.774 4.843 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.126 3.368 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.125 4.643 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.204 4.784 2.771 1.00 0.00 H new ATOM 194 N VAL A 12 1.295 5.202 -0.401 1.00 0.00 N ATOM 195 CA VAL A 12 1.085 4.945 -1.820 1.00 0.00 C ATOM 196 C VAL A 12 1.658 3.587 -2.209 1.00 0.00 C ATOM 197 O VAL A 12 1.249 2.988 -3.205 1.00 0.00 O ATOM 198 CB VAL A 12 1.736 6.038 -2.692 1.00 0.00 C ATOM 199 CG1 VAL A 12 1.381 5.841 -4.157 1.00 0.00 C ATOM 200 CG2 VAL A 12 1.311 7.420 -2.217 1.00 0.00 C ATOM 0 H VAL A 12 2.176 5.667 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 12 0.009 4.952 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 12 2.818 5.957 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.851 6.623 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.738 4.867 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.299 5.892 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.779 8.180 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.227 7.511 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.622 7.561 -1.182 1.00 0.00 H new ATOM 210 N SER A 13 2.603 3.102 -1.409 1.00 0.00 N ATOM 211 CA SER A 13 3.234 1.814 -1.663 1.00 0.00 C ATOM 212 C SER A 13 2.390 0.675 -1.099 1.00 0.00 C ATOM 213 O SER A 13 2.467 0.359 0.089 1.00 0.00 O ATOM 214 CB SER A 13 4.637 1.781 -1.051 1.00 0.00 C ATOM 215 OG SER A 13 4.588 1.985 0.350 1.00 0.00 O ATOM 0 H SER A 13 2.948 3.583 -0.579 1.00 0.00 H new ATOM 0 HA SER A 13 3.314 1.681 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.108 0.822 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.256 2.550 -1.512 1.00 0.00 H new ATOM 0 HG SER A 13 3.861 1.450 0.733 1.00 0.00 H new ATOM 221 N GLN A 14 1.582 0.064 -1.959 1.00 0.00 N ATOM 222 CA GLN A 14 0.721 -1.043 -1.555 1.00 0.00 C ATOM 223 C GLN A 14 1.515 -2.346 -1.402 1.00 0.00 C ATOM 224 O GLN A 14 1.365 -3.045 -0.402 1.00 0.00 O ATOM 225 CB GLN A 14 -0.411 -1.238 -2.570 1.00 0.00 C ATOM 226 CG GLN A 14 -1.062 0.063 -3.013 1.00 0.00 C ATOM 227 CD GLN A 14 -1.479 0.933 -1.845 1.00 0.00 C ATOM 228 OE1 GLN A 14 -2.616 0.865 -1.378 1.00 0.00 O ATOM 229 NE2 GLN A 14 -0.552 1.750 -1.362 1.00 0.00 N ATOM 0 H GLN A 14 1.505 0.318 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 14 0.294 -0.790 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.018 -1.754 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.172 -1.885 -2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.366 0.617 -3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.936 -0.162 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.377 1.772 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.769 2.356 -0.571 1.00 0.00 H new ATOM 238 N PRO A 15 2.376 -2.692 -2.385 1.00 0.00 N ATOM 239 CA PRO A 15 3.174 -3.925 -2.328 1.00 0.00 C ATOM 240 C PRO A 15 4.120 -3.938 -1.136 1.00 0.00 C ATOM 241 O PRO A 15 4.667 -4.980 -0.772 1.00 0.00 O ATOM 242 CB PRO A 15 3.968 -3.907 -3.639 1.00 0.00 C ATOM 243 CG PRO A 15 3.965 -2.481 -4.069 1.00 0.00 C ATOM 244 CD PRO A 15 2.653 -1.924 -3.613 1.00 0.00 C ATOM 0 HA PRO A 15 2.547 -4.809 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.984 -4.273 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.505 -4.547 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.798 -1.936 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.071 -2.398 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.716 -0.854 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.873 -2.064 -4.361 1.00 0.00 H new ATOM 252 N GLU A 16 4.304 -2.773 -0.533 1.00 0.00 N ATOM 253 CA GLU A 16 5.183 -2.633 0.619 1.00 0.00 C ATOM 254 C GLU A 16 4.377 -2.577 1.913 1.00 0.00 C ATOM 255 O GLU A 16 4.681 -3.279 2.877 1.00 0.00 O ATOM 256 CB GLU A 16 6.028 -1.369 0.472 1.00 0.00 C ATOM 257 CG GLU A 16 7.094 -1.221 1.544 1.00 0.00 C ATOM 258 CD GLU A 16 8.155 -2.302 1.465 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.141 -2.112 0.721 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.000 -3.338 2.145 1.00 0.00 O ATOM 0 H GLU A 16 3.853 -1.906 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 16 5.839 -3.503 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.508 -1.375 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.372 -0.499 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.568 -0.244 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.623 -1.251 2.526 1.00 0.00 H new ATOM 267 N ALA A 17 3.349 -1.737 1.922 1.00 0.00 N ATOM 268 CA ALA A 17 2.490 -1.578 3.091 1.00 0.00 C ATOM 269 C ALA A 17 1.736 -2.865 3.412 1.00 0.00 C ATOM 270 O ALA A 17 1.867 -3.405 4.509 1.00 0.00 O ATOM 271 CB ALA A 17 1.509 -0.437 2.867 1.00 0.00 C ATOM 0 H ALA A 17 3.088 -1.152 1.128 1.00 0.00 H new ATOM 0 HA ALA A 17 3.126 -1.344 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.873 -0.327 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.060 0.489 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.891 -0.654 1.996 1.00 0.00 H new ATOM 277 N THR A 18 0.946 -3.352 2.456 1.00 0.00 N ATOM 278 CA THR A 18 0.175 -4.569 2.666 1.00 0.00 C ATOM 279 C THR A 18 1.036 -5.670 3.235 1.00 0.00 C ATOM 280 O THR A 18 0.736 -6.175 4.297 1.00 0.00 O ATOM 281 CB THR A 18 -0.489 -5.103 1.394 1.00 0.00 C ATOM 282 OG1 THR A 18 0.497 -5.358 0.386 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.530 -4.133 0.869 1.00 0.00 C ATOM 0 H THR A 18 0.826 -2.925 1.538 1.00 0.00 H new ATOM 0 HA THR A 18 -0.608 -4.284 3.369 1.00 0.00 H new ATOM 0 HB THR A 18 -0.991 -6.037 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.978 -4.529 0.181 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.984 -4.540 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.300 -3.981 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.055 -3.179 0.639 1.00 0.00 H new ATOM 291 N LYS A 19 2.090 -6.061 2.516 1.00 0.00 N ATOM 292 CA LYS A 19 2.979 -7.107 3.001 1.00 0.00 C ATOM 293 C LYS A 19 3.366 -6.831 4.443 1.00 0.00 C ATOM 294 O LYS A 19 3.082 -7.620 5.332 1.00 0.00 O ATOM 295 CB LYS A 19 4.235 -7.210 2.133 1.00 0.00 C ATOM 296 CG LYS A 19 4.761 -8.632 2.012 1.00 0.00 C ATOM 297 CD LYS A 19 3.756 -9.522 1.304 1.00 0.00 C ATOM 298 CE LYS A 19 3.925 -9.460 -0.204 1.00 0.00 C ATOM 299 NZ LYS A 19 5.306 -9.824 -0.623 1.00 0.00 N ATOM 0 H LYS A 19 2.343 -5.672 1.608 1.00 0.00 H new ATOM 0 HA LYS A 19 2.448 -8.057 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.014 -6.825 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.014 -6.575 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.702 -8.630 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.972 -9.032 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.877 -10.551 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.745 -9.215 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.212 -10.135 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.692 -8.454 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.281 -10.243 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.901 -8.971 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.702 -10.513 0.048 1.00 0.00 H new ATOM 313 N CYS A 20 3.966 -5.679 4.683 1.00 0.00 N ATOM 314 CA CYS A 20 4.384 -5.314 6.029 1.00 0.00 C ATOM 315 C CYS A 20 3.173 -5.223 6.976 1.00 0.00 C ATOM 316 O CYS A 20 3.287 -4.718 8.094 1.00 0.00 O ATOM 317 CB CYS A 20 5.121 -3.969 5.991 1.00 0.00 C ATOM 318 SG CYS A 20 6.876 -4.048 6.479 1.00 0.00 S ATOM 0 H CYS A 20 4.175 -4.981 3.969 1.00 0.00 H new ATOM 0 HA CYS A 20 5.053 -6.087 6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.057 -3.563 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.606 -3.269 6.649 1.00 0.00 H new ATOM 323 N PHE A 21 2.019 -5.717 6.517 1.00 0.00 N ATOM 324 CA PHE A 21 0.786 -5.697 7.291 1.00 0.00 C ATOM 325 C PHE A 21 0.117 -7.071 7.249 1.00 0.00 C ATOM 326 O PHE A 21 -0.527 -7.494 8.207 1.00 0.00 O ATOM 327 CB PHE A 21 -0.152 -4.637 6.711 1.00 0.00 C ATOM 328 CG PHE A 21 -1.018 -3.962 7.735 1.00 0.00 C ATOM 329 CD1 PHE A 21 -1.813 -4.704 8.593 1.00 0.00 C ATOM 330 CD2 PHE A 21 -1.033 -2.582 7.836 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.608 -4.080 9.534 1.00 0.00 C ATOM 332 CE2 PHE A 21 -1.827 -1.951 8.774 1.00 0.00 C ATOM 333 CZ PHE A 21 -2.616 -2.701 9.624 1.00 0.00 C ATOM 0 H PHE A 21 1.919 -6.142 5.595 1.00 0.00 H new ATOM 0 HA PHE A 21 1.012 -5.454 8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.443 -3.881 6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.790 -5.103 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.811 -5.782 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.417 -1.992 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.223 -4.669 10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.831 -0.873 8.843 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.238 -2.211 10.358 1.00 0.00 H new ATOM 343 N GLN A 22 0.289 -7.760 6.125 1.00 0.00 N ATOM 344 CA GLN A 22 -0.268 -9.087 5.924 1.00 0.00 C ATOM 345 C GLN A 22 0.817 -10.101 6.224 1.00 0.00 C ATOM 346 O GLN A 22 0.591 -11.088 6.923 1.00 0.00 O ATOM 347 CB GLN A 22 -0.774 -9.245 4.487 1.00 0.00 C ATOM 348 CG GLN A 22 -1.819 -8.213 4.093 1.00 0.00 C ATOM 349 CD GLN A 22 -2.482 -8.527 2.765 1.00 0.00 C ATOM 350 OE1 GLN A 22 -3.642 -8.183 2.540 1.00 0.00 O ATOM 351 NE2 GLN A 22 -1.748 -9.186 1.874 1.00 0.00 N ATOM 0 H GLN A 22 0.820 -7.410 5.328 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.118 -9.243 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.072 -9.173 3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.197 -10.242 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.581 -8.159 4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.350 -7.231 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.790 -9.453 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.143 -9.425 0.964 1.00 0.00 H new ATOM 360 N TRP A 23 2.000 -9.846 5.667 1.00 0.00 N ATOM 361 CA TRP A 23 3.163 -10.680 5.917 1.00 0.00 C ATOM 362 C TRP A 23 3.349 -10.788 7.420 1.00 0.00 C ATOM 363 O TRP A 23 3.781 -11.813 7.930 1.00 0.00 O ATOM 364 CB TRP A 23 4.414 -10.068 5.256 1.00 0.00 C ATOM 365 CG TRP A 23 5.691 -10.351 5.967 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.620 -11.280 5.641 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.179 -9.679 7.112 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.656 -11.249 6.544 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.403 -10.266 7.461 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.684 -8.642 7.880 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.139 -9.838 8.557 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.405 -8.219 8.959 1.00 0.00 C ATOM 373 CH2 TRP A 23 7.623 -8.812 9.296 1.00 0.00 C ATOM 0 H TRP A 23 2.173 -9.063 5.037 1.00 0.00 H new ATOM 0 HA TRP A 23 3.016 -11.671 5.488 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.490 -10.444 4.236 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.282 -8.988 5.189 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.557 -11.948 4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.475 -11.857 6.532 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.743 -8.174 7.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.082 -10.298 8.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.025 -7.409 9.564 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.167 -8.453 10.157 1.00 0.00 H new ATOM 384 N GLN A 24 3.047 -9.690 8.115 1.00 0.00 N ATOM 385 CA GLN A 24 3.134 -9.639 9.568 1.00 0.00 C ATOM 386 C GLN A 24 2.207 -10.680 10.178 1.00 0.00 C ATOM 387 O GLN A 24 2.544 -11.338 11.163 1.00 0.00 O ATOM 388 CB GLN A 24 2.766 -8.238 10.068 1.00 0.00 C ATOM 389 CG GLN A 24 3.695 -7.714 11.151 1.00 0.00 C ATOM 390 CD GLN A 24 3.810 -6.202 11.143 1.00 0.00 C ATOM 391 OE1 GLN A 24 2.866 -5.497 10.787 1.00 0.00 O ATOM 392 NE2 GLN A 24 4.975 -5.696 11.536 1.00 0.00 N ATOM 0 H GLN A 24 2.737 -8.818 7.686 1.00 0.00 H new ATOM 0 HA GLN A 24 4.157 -9.859 9.872 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.777 -7.546 9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.746 -8.255 10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.332 -8.041 12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.685 -8.150 11.017 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.731 -6.318 11.823 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.113 -4.686 11.551 1.00 0.00 H new ATOM 401 N ARG A 25 1.032 -10.811 9.578 1.00 0.00 N ATOM 402 CA ARG A 25 0.037 -11.778 10.017 1.00 0.00 C ATOM 403 C ARG A 25 0.403 -13.165 9.513 1.00 0.00 C ATOM 404 O ARG A 25 -0.043 -14.178 10.053 1.00 0.00 O ATOM 405 CB ARG A 25 -1.341 -11.361 9.501 1.00 0.00 C ATOM 406 CG ARG A 25 -2.138 -10.526 10.490 1.00 0.00 C ATOM 407 CD ARG A 25 -1.563 -9.126 10.629 1.00 0.00 C ATOM 408 NE ARG A 25 -2.397 -8.271 11.469 1.00 0.00 N ATOM 409 CZ ARG A 25 -3.312 -7.435 10.990 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.518 -7.353 9.682 1.00 0.00 N ATOM 411 NH2 ARG A 25 -4.024 -6.682 11.816 1.00 0.00 N ATOM 0 H ARG A 25 0.743 -10.252 8.776 1.00 0.00 H new ATOM 0 HA ARG A 25 0.011 -11.806 11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.217 -10.795 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.912 -12.256 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.175 -10.463 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.141 -11.017 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.562 -9.186 11.055 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.462 -8.676 9.641 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.270 -8.318 12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.974 -7.932 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.221 -6.711 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.870 -6.743 12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.726 -6.041 11.445 1.00 0.00 H new ATOM 425 N ASN A 26 1.222 -13.197 8.470 1.00 0.00 N ATOM 426 CA ASN A 26 1.689 -14.447 7.895 1.00 0.00 C ATOM 427 C ASN A 26 3.026 -14.803 8.527 1.00 0.00 C ATOM 428 O ASN A 26 3.513 -15.924 8.418 1.00 0.00 O ATOM 429 CB ASN A 26 1.835 -14.313 6.379 1.00 0.00 C ATOM 430 CG ASN A 26 0.562 -13.822 5.720 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.542 -14.098 6.193 1.00 0.00 O ATOM 432 ND2 ASN A 26 0.708 -13.089 4.624 1.00 0.00 N ATOM 0 H ASN A 26 1.578 -12.363 8.003 1.00 0.00 H new ATOM 0 HA ASN A 26 0.966 -15.238 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.648 -13.622 6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.111 -15.279 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.113 -12.729 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.642 -12.885 4.268 1.00 0.00 H new ATOM 439 N MET A 27 3.596 -13.818 9.208 1.00 0.00 N ATOM 440 CA MET A 27 4.874 -13.965 9.886 1.00 0.00 C ATOM 441 C MET A 27 4.760 -15.022 10.965 1.00 0.00 C ATOM 442 O MET A 27 5.754 -15.505 11.507 1.00 0.00 O ATOM 443 CB MET A 27 5.265 -12.626 10.507 1.00 0.00 C ATOM 444 CG MET A 27 6.756 -12.445 10.703 1.00 0.00 C ATOM 445 SD MET A 27 7.341 -13.112 12.274 1.00 0.00 S ATOM 446 CE MET A 27 6.569 -11.983 13.431 1.00 0.00 C ATOM 0 H MET A 27 3.182 -12.891 9.305 1.00 0.00 H new ATOM 0 HA MET A 27 5.638 -14.272 9.172 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.893 -11.821 9.873 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.768 -12.527 11.472 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.287 -12.933 9.886 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.998 -11.384 10.651 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.155 -11.946 14.349 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.521 -10.987 12.990 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.561 -12.328 13.658 1.00 0.00 H new ATOM 456 N ARG A 28 3.521 -15.371 11.250 1.00 0.00 N ATOM 457 CA ARG A 28 3.205 -16.360 12.262 1.00 0.00 C ATOM 458 C ARG A 28 3.252 -17.767 11.679 1.00 0.00 C ATOM 459 O ARG A 28 3.498 -18.739 12.394 1.00 0.00 O ATOM 460 CB ARG A 28 1.816 -16.066 12.841 1.00 0.00 C ATOM 461 CG ARG A 28 0.669 -16.526 11.956 1.00 0.00 C ATOM 462 CD ARG A 28 0.170 -17.905 12.356 1.00 0.00 C ATOM 463 NE ARG A 28 -0.783 -18.437 11.390 1.00 0.00 N ATOM 464 CZ ARG A 28 -1.735 -19.314 11.696 1.00 0.00 C ATOM 465 NH1 ARG A 28 -1.860 -19.754 12.942 1.00 0.00 N ATOM 466 NH2 ARG A 28 -2.563 -19.749 10.757 1.00 0.00 N ATOM 0 H ARG A 28 2.703 -14.976 10.786 1.00 0.00 H new ATOM 0 HA ARG A 28 3.948 -16.304 13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.729 -16.551 13.813 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.723 -14.993 13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.150 -15.810 12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.996 -16.544 10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.016 -18.586 12.445 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.300 -17.851 13.338 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.716 -18.118 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.225 -19.420 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.591 -20.427 13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.470 -19.411 9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.293 -20.422 10.992 1.00 0.00 H new ATOM 480 N LYS A 29 3.012 -17.871 10.375 1.00 0.00 N ATOM 481 CA LYS A 29 3.011 -19.170 9.704 1.00 0.00 C ATOM 482 C LYS A 29 4.178 -19.351 8.727 1.00 0.00 C ATOM 483 O LYS A 29 4.942 -20.310 8.844 1.00 0.00 O ATOM 484 CB LYS A 29 1.686 -19.372 8.969 1.00 0.00 C ATOM 485 CG LYS A 29 1.435 -18.358 7.870 1.00 0.00 C ATOM 486 CD LYS A 29 -0.034 -18.303 7.508 1.00 0.00 C ATOM 487 CE LYS A 29 -0.297 -17.280 6.420 1.00 0.00 C ATOM 488 NZ LYS A 29 -1.731 -17.254 6.017 1.00 0.00 N ATOM 0 H LYS A 29 2.817 -17.078 9.764 1.00 0.00 H new ATOM 0 HA LYS A 29 3.135 -19.923 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.669 -20.373 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.870 -19.322 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.770 -17.373 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.021 -18.619 6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.365 -19.286 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.619 -18.054 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.001 -16.292 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.320 -17.507 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.869 -16.542 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.008 -18.190 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.319 -17.012 6.840 1.00 0.00 H new ATOM 502 N VAL A 30 4.320 -18.439 7.765 1.00 0.00 N ATOM 503 CA VAL A 30 5.370 -18.551 6.761 1.00 0.00 C ATOM 504 C VAL A 30 6.708 -17.986 7.226 1.00 0.00 C ATOM 505 O VAL A 30 7.297 -18.470 8.192 1.00 0.00 O ATOM 506 CB VAL A 30 4.959 -17.867 5.456 1.00 0.00 C ATOM 507 CG1 VAL A 30 3.968 -18.723 4.695 1.00 0.00 C ATOM 508 CG2 VAL A 30 4.364 -16.513 5.746 1.00 0.00 C ATOM 0 H VAL A 30 3.722 -17.619 7.663 1.00 0.00 H new ATOM 0 HA VAL A 30 5.504 -19.620 6.593 1.00 0.00 H new ATOM 0 HB VAL A 30 5.847 -17.737 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.688 -18.220 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.423 -19.685 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.079 -18.881 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.075 -16.035 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.485 -16.630 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.101 -15.894 6.257 1.00 0.00 H new ATOM 518 N ARG A 31 7.182 -16.957 6.526 1.00 0.00 N ATOM 519 CA ARG A 31 8.455 -16.335 6.846 1.00 0.00 C ATOM 520 C ARG A 31 8.322 -15.541 8.126 1.00 0.00 C ATOM 521 O ARG A 31 7.364 -14.791 8.295 1.00 0.00 O ATOM 522 CB ARG A 31 8.929 -15.438 5.705 1.00 0.00 C ATOM 523 CG ARG A 31 7.923 -14.385 5.283 1.00 0.00 C ATOM 524 CD ARG A 31 8.316 -13.773 3.955 1.00 0.00 C ATOM 525 NE ARG A 31 9.133 -12.574 4.123 1.00 0.00 N ATOM 526 CZ ARG A 31 9.187 -11.587 3.233 1.00 0.00 C ATOM 527 NH1 ARG A 31 8.493 -11.663 2.106 1.00 0.00 N ATOM 528 NH2 ARG A 31 9.941 -10.522 3.471 1.00 0.00 N ATOM 0 H ARG A 31 6.698 -16.539 5.732 1.00 0.00 H new ATOM 0 HA ARG A 31 9.202 -17.117 6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.852 -14.942 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.169 -16.061 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.932 -14.832 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.862 -13.607 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.867 -14.507 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.417 -13.523 3.391 1.00 0.00 H new ATOM 0 HE ARG A 31 9.694 -12.489 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.914 -12.481 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.538 -10.903 1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.479 -10.461 4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.983 -9.764 2.789 1.00 0.00 H new ATOM 542 N GLY A 32 9.285 -15.688 9.023 1.00 0.00 N ATOM 543 CA GLY A 32 9.196 -14.981 10.278 1.00 0.00 C ATOM 544 C GLY A 32 10.348 -14.015 10.538 1.00 0.00 C ATOM 545 O GLY A 32 11.035 -14.140 11.552 1.00 0.00 O ATOM 0 H GLY A 32 10.112 -16.274 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.259 -14.425 10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.157 -15.708 11.089 1.00 0.00 H new ATOM 549 N PRO A 33 10.588 -13.036 9.642 1.00 0.00 N ATOM 550 CA PRO A 33 11.651 -12.050 9.806 1.00 0.00 C ATOM 551 C PRO A 33 11.150 -10.766 10.474 1.00 0.00 C ATOM 552 O PRO A 33 9.954 -10.616 10.712 1.00 0.00 O ATOM 553 CB PRO A 33 12.038 -11.777 8.357 1.00 0.00 C ATOM 554 CG PRO A 33 10.747 -11.862 7.610 1.00 0.00 C ATOM 555 CD PRO A 33 9.860 -12.817 8.377 1.00 0.00 C ATOM 0 HA PRO A 33 12.465 -12.397 10.442 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.498 -10.795 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.758 -12.510 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.281 -10.880 7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.911 -12.219 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.872 -12.391 8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.713 -13.750 7.833 1.00 0.00 H new ATOM 563 N PRO A 34 12.061 -9.831 10.810 1.00 0.00 N ATOM 564 CA PRO A 34 11.696 -8.559 11.424 1.00 0.00 C ATOM 565 C PRO A 34 11.497 -7.463 10.378 1.00 0.00 C ATOM 566 O PRO A 34 12.453 -6.796 9.980 1.00 0.00 O ATOM 567 CB PRO A 34 12.912 -8.262 12.292 1.00 0.00 C ATOM 568 CG PRO A 34 14.069 -8.847 11.544 1.00 0.00 C ATOM 569 CD PRO A 34 13.523 -9.946 10.658 1.00 0.00 C ATOM 0 HA PRO A 34 10.755 -8.600 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.039 -7.190 12.441 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.812 -8.711 13.280 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.566 -8.083 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.812 -9.244 12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.829 -9.811 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.881 -10.927 10.971 1.00 0.00 H new ATOM 577 N VAL A 35 10.255 -7.278 9.935 1.00 0.00 N ATOM 578 CA VAL A 35 9.952 -6.270 8.921 1.00 0.00 C ATOM 579 C VAL A 35 8.718 -5.444 9.277 1.00 0.00 C ATOM 580 O VAL A 35 7.649 -5.637 8.701 1.00 0.00 O ATOM 581 CB VAL A 35 9.721 -6.911 7.536 1.00 0.00 C ATOM 582 CG1 VAL A 35 9.809 -5.859 6.442 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.718 -8.033 7.286 1.00 0.00 C ATOM 0 H VAL A 35 9.447 -7.809 10.260 1.00 0.00 H new ATOM 0 HA VAL A 35 10.823 -5.615 8.887 1.00 0.00 H new ATOM 0 HB VAL A 35 8.719 -7.340 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.644 -6.328 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.050 -5.095 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.797 -5.398 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.536 -8.470 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.732 -7.634 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.602 -8.800 8.051 1.00 0.00 H new ATOM 593 N SER A 36 8.864 -4.525 10.223 1.00 0.00 N ATOM 594 CA SER A 36 7.757 -3.660 10.616 1.00 0.00 C ATOM 595 C SER A 36 7.849 -2.348 9.847 1.00 0.00 C ATOM 596 O SER A 36 8.510 -1.407 10.284 1.00 0.00 O ATOM 597 CB SER A 36 7.786 -3.396 12.123 1.00 0.00 C ATOM 598 OG SER A 36 7.753 -4.609 12.855 1.00 0.00 O ATOM 0 H SER A 36 9.733 -4.359 10.731 1.00 0.00 H new ATOM 0 HA SER A 36 6.815 -4.155 10.379 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.686 -2.837 12.380 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.935 -2.776 12.403 1.00 0.00 H new ATOM 0 HG SER A 36 7.774 -4.413 13.815 1.00 0.00 H new ATOM 604 N CYS A 37 7.180 -2.290 8.697 1.00 0.00 N ATOM 605 CA CYS A 37 7.226 -1.097 7.860 1.00 0.00 C ATOM 606 C CYS A 37 5.862 -0.727 7.288 1.00 0.00 C ATOM 607 O CYS A 37 5.557 -1.014 6.131 1.00 0.00 O ATOM 608 CB CYS A 37 8.226 -1.284 6.720 1.00 0.00 C ATOM 609 SG CYS A 37 7.753 -2.520 5.452 1.00 0.00 S ATOM 0 H CYS A 37 6.606 -3.048 8.328 1.00 0.00 H new ATOM 0 HA CYS A 37 7.545 -0.277 8.503 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.374 -0.323 6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.186 -1.575 7.146 1.00 0.00 H new ATOM 614 N ILE A 38 5.047 -0.076 8.098 1.00 0.00 N ATOM 615 CA ILE A 38 3.730 0.351 7.662 1.00 0.00 C ATOM 616 C ILE A 38 3.350 1.663 8.307 1.00 0.00 C ATOM 617 O ILE A 38 2.983 2.615 7.623 1.00 0.00 O ATOM 618 CB ILE A 38 2.656 -0.703 7.980 1.00 0.00 C ATOM 619 CG1 ILE A 38 3.118 -1.613 9.121 1.00 0.00 C ATOM 620 CG2 ILE A 38 2.329 -1.519 6.740 1.00 0.00 C ATOM 621 CD1 ILE A 38 2.004 -2.439 9.728 1.00 0.00 C ATOM 0 H ILE A 38 5.274 0.169 9.062 1.00 0.00 H new ATOM 0 HA ILE A 38 3.779 0.479 6.581 1.00 0.00 H new ATOM 0 HB ILE A 38 1.750 -0.188 8.300 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.894 -2.282 8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.572 -1.002 9.901 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.567 -2.260 6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.956 -0.858 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.229 -2.025 6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.406 -3.059 10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.238 -1.777 10.131 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.565 -3.077 8.961 1.00 0.00 H new ATOM 633 N LYS A 39 3.452 1.717 9.624 1.00 0.00 N ATOM 634 CA LYS A 39 3.116 2.935 10.344 1.00 0.00 C ATOM 635 C LYS A 39 4.206 3.965 10.112 1.00 0.00 C ATOM 636 O LYS A 39 4.043 5.148 10.409 1.00 0.00 O ATOM 637 CB LYS A 39 2.894 2.683 11.838 1.00 0.00 C ATOM 638 CG LYS A 39 2.349 1.299 12.169 1.00 0.00 C ATOM 639 CD LYS A 39 3.457 0.263 12.276 1.00 0.00 C ATOM 640 CE LYS A 39 2.984 -0.985 13.006 1.00 0.00 C ATOM 641 NZ LYS A 39 4.063 -2.003 13.123 1.00 0.00 N ATOM 0 H LYS A 39 3.761 0.942 10.211 1.00 0.00 H new ATOM 0 HA LYS A 39 2.170 3.315 9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.840 2.823 12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.203 3.434 12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.799 1.341 13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.640 0.994 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.802 -0.007 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.309 0.693 12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.633 -0.712 14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.135 -1.416 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.700 -2.837 13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.381 -2.283 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.864 -1.601 13.651 1.00 0.00 H new ATOM 655 N ARG A 40 5.325 3.491 9.572 1.00 0.00 N ATOM 656 CA ARG A 40 6.438 4.359 9.230 1.00 0.00 C ATOM 657 C ARG A 40 6.271 4.797 7.785 1.00 0.00 C ATOM 658 O ARG A 40 5.679 4.075 6.980 1.00 0.00 O ATOM 659 CB ARG A 40 7.787 3.657 9.419 1.00 0.00 C ATOM 660 CG ARG A 40 7.723 2.142 9.306 1.00 0.00 C ATOM 661 CD ARG A 40 7.310 1.501 10.621 1.00 0.00 C ATOM 662 NE ARG A 40 8.325 1.678 11.657 1.00 0.00 N ATOM 663 CZ ARG A 40 8.044 1.836 12.946 1.00 0.00 C ATOM 664 NH1 ARG A 40 6.783 1.848 13.359 1.00 0.00 N ATOM 665 NH2 ARG A 40 9.024 1.983 13.827 1.00 0.00 N ATOM 0 H ARG A 40 5.481 2.505 9.363 1.00 0.00 H new ATOM 0 HA ARG A 40 6.434 5.222 9.896 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.488 4.036 8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.187 3.920 10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.014 1.864 8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.697 1.757 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.369 1.936 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.132 0.437 10.466 1.00 0.00 H new ATOM 0 HE ARG A 40 9.305 1.680 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.025 1.736 12.686 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.572 1.970 14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.995 1.975 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.807 2.104 14.816 1.00 0.00 H new ATOM 679 N ASP A 41 6.781 5.968 7.453 1.00 0.00 N ATOM 680 CA ASP A 41 6.634 6.487 6.114 1.00 0.00 C ATOM 681 C ASP A 41 7.844 7.325 5.743 1.00 0.00 C ATOM 682 O ASP A 41 7.727 8.402 5.159 1.00 0.00 O ATOM 683 CB ASP A 41 5.331 7.278 6.015 1.00 0.00 C ATOM 684 CG ASP A 41 5.105 7.886 4.646 1.00 0.00 C ATOM 685 OD1 ASP A 41 5.065 7.126 3.657 1.00 0.00 O ATOM 686 OD2 ASP A 41 4.966 9.125 4.566 1.00 0.00 O ATOM 0 H ASP A 41 7.298 6.573 8.092 1.00 0.00 H new ATOM 0 HA ASP A 41 6.581 5.666 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.495 6.621 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.338 8.072 6.762 1.00 0.00 H new ATOM 691 N SER A 42 9.011 6.815 6.117 1.00 0.00 N ATOM 692 CA SER A 42 10.270 7.468 5.823 1.00 0.00 C ATOM 693 C SER A 42 10.348 7.789 4.333 1.00 0.00 C ATOM 694 O SER A 42 9.455 7.411 3.572 1.00 0.00 O ATOM 695 CB SER A 42 11.419 6.540 6.231 1.00 0.00 C ATOM 696 OG SER A 42 12.089 7.029 7.378 1.00 0.00 O ATOM 0 H SER A 42 9.106 5.939 6.631 1.00 0.00 H new ATOM 0 HA SER A 42 10.345 8.401 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.030 5.542 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.125 6.447 5.406 1.00 0.00 H new ATOM 0 HG SER A 42 12.816 6.417 7.618 1.00 0.00 H new ATOM 702 N PRO A 43 11.395 8.497 3.880 1.00 0.00 N ATOM 703 CA PRO A 43 11.548 8.828 2.461 1.00 0.00 C ATOM 704 C PRO A 43 11.740 7.588 1.588 1.00 0.00 C ATOM 705 O PRO A 43 12.275 7.681 0.482 1.00 0.00 O ATOM 706 CB PRO A 43 12.802 9.708 2.424 1.00 0.00 C ATOM 707 CG PRO A 43 13.542 9.372 3.672 1.00 0.00 C ATOM 708 CD PRO A 43 12.493 9.051 4.694 1.00 0.00 C ATOM 0 HA PRO A 43 10.659 9.318 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.404 9.501 1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.542 10.766 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 43 14.208 8.524 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 43 14.162 10.208 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.853 8.331 5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.180 9.939 5.243 1.00 0.00 H new ATOM 716 N ILE A 44 11.303 6.425 2.084 1.00 0.00 N ATOM 717 CA ILE A 44 11.436 5.185 1.325 1.00 0.00 C ATOM 718 C ILE A 44 10.067 4.597 0.984 1.00 0.00 C ATOM 719 O ILE A 44 9.966 3.636 0.221 1.00 0.00 O ATOM 720 CB ILE A 44 12.266 4.135 2.095 1.00 0.00 C ATOM 721 CG1 ILE A 44 13.478 4.797 2.754 1.00 0.00 C ATOM 722 CG2 ILE A 44 12.709 3.020 1.157 1.00 0.00 C ATOM 723 CD1 ILE A 44 14.268 3.867 3.651 1.00 0.00 C ATOM 0 H ILE A 44 10.860 6.320 2.997 1.00 0.00 H new ATOM 0 HA ILE A 44 11.958 5.435 0.401 1.00 0.00 H new ATOM 0 HB ILE A 44 11.643 3.700 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.137 5.184 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.140 5.652 3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.293 2.287 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.832 2.535 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.319 3.439 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.111 4.407 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.625 3.500 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.637 3.024 3.066 1.00 0.00 H new ATOM 735 N GLN A 45 9.017 5.187 1.549 1.00 0.00 N ATOM 736 CA GLN A 45 7.653 4.722 1.301 1.00 0.00 C ATOM 737 C GLN A 45 6.801 5.829 0.688 1.00 0.00 C ATOM 738 O GLN A 45 6.135 5.625 -0.328 1.00 0.00 O ATOM 739 CB GLN A 45 7.008 4.240 2.603 1.00 0.00 C ATOM 740 CG GLN A 45 7.763 3.115 3.288 1.00 0.00 C ATOM 741 CD GLN A 45 8.711 3.624 4.350 1.00 0.00 C ATOM 742 OE1 GLN A 45 9.898 3.827 4.100 1.00 0.00 O ATOM 743 NE2 GLN A 45 8.182 3.851 5.546 1.00 0.00 N ATOM 0 H GLN A 45 9.083 5.986 2.180 1.00 0.00 H new ATOM 0 HA GLN A 45 7.707 3.892 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.929 5.082 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.992 3.906 2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.051 2.425 3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.324 2.551 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.192 3.668 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.766 4.208 6.302 1.00 0.00 H new ATOM 752 N CYS A 46 6.827 6.999 1.318 1.00 0.00 N ATOM 753 CA CYS A 46 6.065 8.154 0.850 1.00 0.00 C ATOM 754 C CYS A 46 6.473 8.539 -0.565 1.00 0.00 C ATOM 755 O CYS A 46 7.369 9.362 -0.759 1.00 0.00 O ATOM 756 CB CYS A 46 6.306 9.333 1.785 1.00 0.00 C ATOM 757 SG CYS A 46 5.308 10.808 1.408 1.00 0.00 S ATOM 0 H CYS A 46 7.373 7.174 2.162 1.00 0.00 H new ATOM 0 HA CYS A 46 5.007 7.891 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.096 9.019 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.361 9.603 1.745 1.00 0.00 H new ATOM 762 N ILE A 47 5.813 7.948 -1.553 1.00 0.00 N ATOM 763 CA ILE A 47 6.128 8.223 -2.949 1.00 0.00 C ATOM 764 C ILE A 47 4.865 8.274 -3.803 1.00 0.00 C ATOM 765 O ILE A 47 4.254 7.245 -4.089 1.00 0.00 O ATOM 766 CB ILE A 47 7.085 7.156 -3.513 1.00 0.00 C ATOM 767 CG1 ILE A 47 8.346 7.065 -2.642 1.00 0.00 C ATOM 768 CG2 ILE A 47 7.439 7.465 -4.963 1.00 0.00 C ATOM 769 CD1 ILE A 47 9.283 8.247 -2.789 1.00 0.00 C ATOM 0 H ILE A 47 5.058 7.277 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 47 6.614 9.198 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 47 6.585 6.188 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.048 6.978 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.886 6.153 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.116 6.700 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.530 7.477 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.924 8.439 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.149 8.108 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.613 8.323 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.762 9.162 -2.506 1.00 0.00 H new ATOM 781 N GLN A 48 4.482 9.482 -4.207 1.00 0.00 N ATOM 782 CA GLN A 48 3.291 9.674 -5.026 1.00 0.00 C ATOM 783 C GLN A 48 3.627 10.415 -6.317 1.00 0.00 C ATOM 784 O GLN A 48 4.777 10.793 -6.546 1.00 0.00 O ATOM 785 CB GLN A 48 2.232 10.449 -4.239 1.00 0.00 C ATOM 786 CG GLN A 48 2.693 11.827 -3.792 1.00 0.00 C ATOM 787 CD GLN A 48 1.680 12.518 -2.901 1.00 0.00 C ATOM 788 OE1 GLN A 48 1.718 12.383 -1.679 1.00 0.00 O ATOM 789 NE2 GLN A 48 0.768 13.264 -3.512 1.00 0.00 N ATOM 0 H GLN A 48 4.980 10.343 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 48 2.897 8.692 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.339 10.556 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.946 9.868 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.639 11.734 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.882 12.446 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.775 13.347 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.060 13.754 -2.965 1.00 0.00 H new ATOM 798 N ALA A 49 2.616 10.617 -7.155 1.00 0.00 N ATOM 799 CA ALA A 49 2.797 11.311 -8.425 1.00 0.00 C ATOM 800 C ALA A 49 2.204 12.716 -8.372 1.00 0.00 C ATOM 801 O ALA A 49 1.000 12.861 -8.668 1.00 0.00 O ATOM 802 CB ALA A 49 2.167 10.512 -9.555 1.00 0.00 C ATOM 803 OXT ALA A 49 2.950 13.659 -8.036 1.00 0.00 O ATOM 0 H ALA A 49 1.660 10.309 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 49 3.867 11.404 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.309 11.041 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.639 9.531 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.101 10.390 -9.364 1.00 0.00 H new TER 809 ALA A 49