USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 853 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 107 TYR OH : rot -112:sc= -1.45 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0226 X(o=-1.5,f=-1.7) USER MOD Set 2.1: A 30 SER OG : rot -161:sc= -2.04! USER MOD Set 2.2: A 33 ASN : amide:sc= -2.42! C(o=-4.5!,f=-4!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.484 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.11 (180deg=-0.598) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00571 (180deg=-0.169) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0438 (180deg=-0.335) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -126:sc= -0.768 (180deg=-6.01!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0767 F(o=-0.72,f=-0.077) USER MOD Single : A 50 GLN : amide:sc= 0.29 K(o=0.29,f=-3.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.101 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 79:sc= 1.17 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 89 MET CE :methyl -125:sc= -3.44 (180deg=-10.5!) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= -0.0603 (180deg=-0.388) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN :FLIP amide:sc= -4.36! C(o=-6.1!,f=-4.4!) USER MOD Single : A 110 THR OG1 : rot -63:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.690 5.975 20.519 1.00 0.00 N ATOM 2 CA MET A 1 -17.772 7.149 19.614 1.00 0.00 C ATOM 3 C MET A 1 -16.767 8.221 20.023 1.00 0.00 C ATOM 4 O MET A 1 -15.953 8.007 20.921 1.00 0.00 O ATOM 5 CB MET A 1 -19.188 7.729 19.625 1.00 0.00 C ATOM 6 CG MET A 1 -19.673 8.131 21.009 1.00 0.00 C ATOM 7 SD MET A 1 -21.339 8.819 20.986 1.00 0.00 S ATOM 8 CE MET A 1 -22.284 7.403 20.426 1.00 0.00 C ATOM 0 H1 MET A 1 -18.647 5.612 20.705 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.118 5.231 20.071 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.247 6.259 21.416 1.00 0.00 H new ATOM 0 HA MET A 1 -17.531 6.817 18.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.219 8.601 18.971 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.876 6.993 19.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.652 7.260 21.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.987 8.865 21.432 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.335 7.545 20.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.178 7.299 19.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.914 6.502 20.915 1.00 0.00 H new ATOM 18 N ALA A 2 -16.834 9.374 19.359 1.00 0.00 N ATOM 19 CA ALA A 2 -15.927 10.482 19.644 1.00 0.00 C ATOM 20 C ALA A 2 -14.477 10.072 19.410 1.00 0.00 C ATOM 21 O ALA A 2 -13.874 9.392 20.240 1.00 0.00 O ATOM 22 CB ALA A 2 -16.119 10.978 21.070 1.00 0.00 C ATOM 0 H ALA A 2 -17.509 9.564 18.618 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.163 11.297 18.960 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.434 11.804 21.263 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.146 11.320 21.201 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.915 10.166 21.768 1.00 0.00 H new ATOM 28 N ASP A 3 -13.933 10.483 18.265 1.00 0.00 N ATOM 29 CA ASP A 3 -12.554 10.162 17.897 1.00 0.00 C ATOM 30 C ASP A 3 -12.400 8.671 17.602 1.00 0.00 C ATOM 31 O ASP A 3 -11.323 8.211 17.222 1.00 0.00 O ATOM 32 CB ASP A 3 -11.583 10.586 19.005 1.00 0.00 C ATOM 33 CG ASP A 3 -10.131 10.420 18.599 1.00 0.00 C ATOM 34 OD1 ASP A 3 -9.589 11.336 17.947 1.00 0.00 O ATOM 35 OD2 ASP A 3 -9.537 9.374 18.935 1.00 0.00 O ATOM 0 H ASP A 3 -14.430 11.043 17.572 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.312 10.718 16.991 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.767 11.628 19.266 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.777 9.994 19.900 1.00 0.00 H new ATOM 40 N GLU A 4 -13.485 7.920 17.776 1.00 0.00 N ATOM 41 CA GLU A 4 -13.470 6.483 17.527 1.00 0.00 C ATOM 42 C GLU A 4 -14.618 6.082 16.606 1.00 0.00 C ATOM 43 O GLU A 4 -15.742 5.865 17.062 1.00 0.00 O ATOM 44 CB GLU A 4 -13.567 5.710 18.844 1.00 0.00 C ATOM 45 CG GLU A 4 -12.463 6.048 19.833 1.00 0.00 C ATOM 46 CD GLU A 4 -12.579 5.262 21.125 1.00 0.00 C ATOM 47 OE1 GLU A 4 -12.160 4.086 21.145 1.00 0.00 O ATOM 48 OE2 GLU A 4 -13.090 5.824 22.116 1.00 0.00 O ATOM 0 H GLU A 4 -14.385 8.284 18.089 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.527 6.235 17.039 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.532 5.916 19.306 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.537 4.641 18.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.495 5.846 19.375 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.494 7.114 20.056 1.00 0.00 H new ATOM 55 N ASN A 5 -14.326 5.991 15.310 1.00 0.00 N ATOM 56 CA ASN A 5 -15.328 5.616 14.314 1.00 0.00 C ATOM 57 C ASN A 5 -16.479 6.618 14.280 1.00 0.00 C ATOM 58 O ASN A 5 -17.308 6.661 15.188 1.00 0.00 O ATOM 59 CB ASN A 5 -15.864 4.211 14.600 1.00 0.00 C ATOM 60 CG ASN A 5 -14.775 3.156 14.549 1.00 0.00 C ATOM 61 OD1 ASN A 5 -13.806 3.282 13.801 1.00 0.00 O ATOM 62 ND2 ASN A 5 -14.930 2.108 15.349 1.00 0.00 N ATOM 0 H ASN A 5 -13.400 6.173 14.924 1.00 0.00 H new ATOM 0 HA ASN A 5 -14.844 5.622 13.337 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -16.334 4.197 15.583 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.639 3.965 13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.230 1.366 15.360 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.749 2.044 15.953 1.00 0.00 H new ATOM 69 N LYS A 6 -16.524 7.420 13.220 1.00 0.00 N ATOM 70 CA LYS A 6 -17.573 8.422 13.059 1.00 0.00 C ATOM 71 C LYS A 6 -18.249 8.278 11.698 1.00 0.00 C ATOM 72 O LYS A 6 -19.332 8.818 11.470 1.00 0.00 O ATOM 73 CB LYS A 6 -16.988 9.830 13.211 1.00 0.00 C ATOM 74 CG LYS A 6 -18.036 10.931 13.241 1.00 0.00 C ATOM 75 CD LYS A 6 -18.886 10.863 14.500 1.00 0.00 C ATOM 76 CE LYS A 6 -19.950 11.949 14.512 1.00 0.00 C ATOM 77 NZ LYS A 6 -20.869 11.839 13.347 1.00 0.00 N ATOM 0 H LYS A 6 -15.845 7.395 12.459 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.322 8.265 13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.403 9.873 14.130 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.300 10.018 12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.545 11.903 13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.677 10.847 12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.362 9.885 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.248 10.967 15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.525 11.883 15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.470 12.928 14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.715 12.419 13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.385 12.175 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.150 10.846 13.219 1.00 0.00 H new ATOM 91 N TRP A 7 -17.602 7.540 10.801 1.00 0.00 N ATOM 92 CA TRP A 7 -18.133 7.315 9.461 1.00 0.00 C ATOM 93 C TRP A 7 -17.892 5.874 9.022 1.00 0.00 C ATOM 94 O TRP A 7 -17.831 5.577 7.829 1.00 0.00 O ATOM 95 CB TRP A 7 -17.487 8.282 8.466 1.00 0.00 C ATOM 96 CG TRP A 7 -16.006 8.099 8.332 1.00 0.00 C ATOM 97 CD1 TRP A 7 -15.052 8.436 9.248 1.00 0.00 C ATOM 98 CD2 TRP A 7 -15.308 7.539 7.213 1.00 0.00 C ATOM 99 NE1 TRP A 7 -13.804 8.116 8.770 1.00 0.00 N ATOM 100 CE2 TRP A 7 -13.935 7.564 7.523 1.00 0.00 C ATOM 101 CE3 TRP A 7 -15.711 7.015 5.981 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -12.965 7.087 6.645 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -14.747 6.542 5.111 1.00 0.00 C ATOM 104 CH2 TRP A 7 -13.387 6.581 5.446 1.00 0.00 C ATOM 0 H TRP A 7 -16.706 7.086 10.979 1.00 0.00 H new ATOM 0 HA TRP A 7 -19.208 7.495 9.483 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -17.952 8.150 7.489 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -17.692 9.305 8.780 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -15.249 8.888 10.209 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -12.924 8.265 9.263 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -16.757 6.980 5.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.916 7.116 6.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -15.047 6.135 4.157 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -12.658 6.204 4.744 1.00 0.00 H new ATOM 115 N VAL A 8 -17.767 4.982 10.000 1.00 0.00 N ATOM 116 CA VAL A 8 -17.528 3.568 9.729 1.00 0.00 C ATOM 117 C VAL A 8 -18.790 2.883 9.202 1.00 0.00 C ATOM 118 O VAL A 8 -18.853 1.658 9.106 1.00 0.00 O ATOM 119 CB VAL A 8 -17.032 2.839 10.999 1.00 0.00 C ATOM 120 CG1 VAL A 8 -18.164 2.657 11.999 1.00 0.00 C ATOM 121 CG2 VAL A 8 -16.394 1.502 10.647 1.00 0.00 C ATOM 0 H VAL A 8 -17.828 5.215 10.991 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.755 3.511 8.962 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.269 3.461 11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.789 2.142 12.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.556 3.633 12.286 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.959 2.066 11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.054 1.010 11.558 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.127 0.870 10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.544 1.668 9.985 1.00 0.00 H new ATOM 131 N ARG A 9 -19.793 3.683 8.852 1.00 0.00 N ATOM 132 CA ARG A 9 -21.044 3.146 8.331 1.00 0.00 C ATOM 133 C ARG A 9 -21.744 4.164 7.443 1.00 0.00 C ATOM 134 O ARG A 9 -22.798 3.878 6.876 1.00 0.00 O ATOM 135 CB ARG A 9 -21.960 2.719 9.482 1.00 0.00 C ATOM 136 CG ARG A 9 -23.144 1.871 9.043 1.00 0.00 C ATOM 137 CD ARG A 9 -24.005 1.459 10.226 1.00 0.00 C ATOM 138 NE ARG A 9 -25.152 0.654 9.813 1.00 0.00 N ATOM 139 CZ ARG A 9 -26.067 0.186 10.657 1.00 0.00 C ATOM 140 NH1 ARG A 9 -25.972 0.440 11.955 1.00 0.00 N ATOM 141 NH2 ARG A 9 -27.080 -0.537 10.201 1.00 0.00 N ATOM 0 H ARG A 9 -19.764 4.700 8.920 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.813 2.270 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.375 2.159 10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.331 3.610 9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -23.749 2.431 8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -22.784 0.981 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -23.401 0.893 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.356 2.350 10.747 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.257 0.439 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -25.195 0.997 12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -26.676 0.079 12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -27.157 -0.734 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -27.782 -0.896 10.848 1.00 0.00 H new ATOM 155 N ARG A 10 -21.172 5.361 7.335 1.00 0.00 N ATOM 156 CA ARG A 10 -21.746 6.376 6.466 1.00 0.00 C ATOM 157 C ARG A 10 -21.738 5.830 5.049 1.00 0.00 C ATOM 158 O ARG A 10 -20.685 5.762 4.415 1.00 0.00 O ATOM 159 CB ARG A 10 -20.949 7.681 6.537 1.00 0.00 C ATOM 160 CG ARG A 10 -21.456 8.753 5.586 1.00 0.00 C ATOM 161 CD ARG A 10 -20.501 9.932 5.507 1.00 0.00 C ATOM 162 NE ARG A 10 -20.927 10.912 4.510 1.00 0.00 N ATOM 163 CZ ARG A 10 -20.178 11.934 4.110 1.00 0.00 C ATOM 164 NH1 ARG A 10 -18.967 12.115 4.621 1.00 0.00 N ATOM 165 NH2 ARG A 10 -20.638 12.778 3.195 1.00 0.00 N ATOM 0 H ARG A 10 -20.327 5.645 7.830 1.00 0.00 H new ATOM 0 HA ARG A 10 -22.763 6.602 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -20.985 8.064 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -19.903 7.472 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -21.588 8.325 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -22.435 9.099 5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.435 10.412 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.502 9.574 5.260 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.854 10.805 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.608 11.468 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.395 12.901 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.568 12.643 2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.062 13.562 2.889 1.00 0.00 H new ATOM 179 N ASP A 11 -22.909 5.426 4.562 1.00 0.00 N ATOM 180 CA ASP A 11 -23.009 4.836 3.237 1.00 0.00 C ATOM 181 C ASP A 11 -22.260 3.508 3.246 1.00 0.00 C ATOM 182 O ASP A 11 -21.649 3.109 2.254 1.00 0.00 O ATOM 183 CB ASP A 11 -22.425 5.777 2.179 1.00 0.00 C ATOM 184 CG ASP A 11 -22.644 5.277 0.764 1.00 0.00 C ATOM 185 OD1 ASP A 11 -23.772 5.427 0.249 1.00 0.00 O ATOM 186 OD2 ASP A 11 -21.688 4.736 0.171 1.00 0.00 O ATOM 0 H ASP A 11 -23.794 5.497 5.064 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.056 4.670 2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -22.878 6.763 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -21.356 5.897 2.356 1.00 0.00 H new ATOM 191 N VAL A 12 -22.322 2.835 4.398 1.00 0.00 N ATOM 192 CA VAL A 12 -21.654 1.553 4.604 1.00 0.00 C ATOM 193 C VAL A 12 -21.810 0.642 3.396 1.00 0.00 C ATOM 194 O VAL A 12 -22.765 0.764 2.627 1.00 0.00 O ATOM 195 CB VAL A 12 -22.190 0.838 5.860 1.00 0.00 C ATOM 196 CG1 VAL A 12 -23.687 0.594 5.741 1.00 0.00 C ATOM 197 CG2 VAL A 12 -21.448 -0.470 6.102 1.00 0.00 C ATOM 0 H VAL A 12 -22.838 3.166 5.213 1.00 0.00 H new ATOM 0 HA VAL A 12 -20.595 1.769 4.745 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.016 1.487 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -24.046 0.088 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -24.203 1.548 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.886 -0.029 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -21.846 -0.954 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.580 -1.128 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -20.387 -0.266 6.243 1.00 0.00 H new ATOM 207 N SER A 13 -20.870 -0.278 3.241 1.00 0.00 N ATOM 208 CA SER A 13 -20.885 -1.190 2.115 1.00 0.00 C ATOM 209 C SER A 13 -20.045 -2.433 2.410 1.00 0.00 C ATOM 210 O SER A 13 -19.806 -2.763 3.572 1.00 0.00 O ATOM 211 CB SER A 13 -20.348 -0.452 0.896 1.00 0.00 C ATOM 212 OG SER A 13 -20.592 -1.173 -0.299 1.00 0.00 O ATOM 0 H SER A 13 -20.088 -0.410 3.883 1.00 0.00 H new ATOM 0 HA SER A 13 -21.904 -1.526 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.814 0.531 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.276 -0.289 1.011 1.00 0.00 H new ATOM 0 HG SER A 13 -20.237 -0.671 -1.062 1.00 0.00 H new ATOM 218 N THR A 14 -19.607 -3.122 1.355 1.00 0.00 N ATOM 219 CA THR A 14 -18.790 -4.322 1.509 1.00 0.00 C ATOM 220 C THR A 14 -17.588 -4.041 2.409 1.00 0.00 C ATOM 221 O THR A 14 -17.313 -2.891 2.741 1.00 0.00 O ATOM 222 CB THR A 14 -18.298 -4.841 0.147 1.00 0.00 C ATOM 223 OG1 THR A 14 -19.306 -4.631 -0.850 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.959 -6.323 0.218 1.00 0.00 C ATOM 0 H THR A 14 -19.805 -2.868 0.387 1.00 0.00 H new ATOM 0 HA THR A 14 -19.416 -5.087 1.969 1.00 0.00 H new ATOM 0 HB THR A 14 -17.396 -4.289 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.985 -4.962 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.614 -6.664 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.173 -6.482 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.847 -6.886 0.506 1.00 0.00 H new ATOM 232 N ALA A 15 -16.864 -5.088 2.792 1.00 0.00 N ATOM 233 CA ALA A 15 -15.718 -4.926 3.679 1.00 0.00 C ATOM 234 C ALA A 15 -14.447 -4.498 2.946 1.00 0.00 C ATOM 235 O ALA A 15 -13.979 -3.373 3.116 1.00 0.00 O ATOM 236 CB ALA A 15 -15.468 -6.215 4.446 1.00 0.00 C ATOM 0 H ALA A 15 -17.048 -6.049 2.505 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.967 -4.121 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.610 -6.085 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.348 -6.462 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.266 -7.023 3.743 1.00 0.00 H new ATOM 242 N LEU A 16 -13.894 -5.391 2.130 1.00 0.00 N ATOM 243 CA LEU A 16 -12.654 -5.101 1.409 1.00 0.00 C ATOM 244 C LEU A 16 -12.884 -4.383 0.079 1.00 0.00 C ATOM 245 O LEU A 16 -11.936 -3.868 -0.514 1.00 0.00 O ATOM 246 CB LEU A 16 -11.837 -6.392 1.196 1.00 0.00 C ATOM 247 CG LEU A 16 -12.319 -7.364 0.101 1.00 0.00 C ATOM 248 CD1 LEU A 16 -13.829 -7.545 0.132 1.00 0.00 C ATOM 249 CD2 LEU A 16 -11.858 -6.907 -1.278 1.00 0.00 C ATOM 0 H LEU A 16 -14.281 -6.318 1.951 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.085 -4.414 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.811 -6.107 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.812 -6.935 2.141 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.868 -8.334 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.129 -8.237 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.128 -7.946 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.314 -6.582 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.212 -7.611 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.263 -5.917 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.769 -6.866 -1.303 1.00 0.00 H new ATOM 261 N SER A 17 -14.126 -4.350 -0.395 1.00 0.00 N ATOM 262 CA SER A 17 -14.426 -3.703 -1.673 1.00 0.00 C ATOM 263 C SER A 17 -13.869 -2.282 -1.727 1.00 0.00 C ATOM 264 O SER A 17 -13.124 -1.944 -2.647 1.00 0.00 O ATOM 265 CB SER A 17 -15.932 -3.678 -1.926 1.00 0.00 C ATOM 266 OG SER A 17 -16.232 -3.037 -3.153 1.00 0.00 O ATOM 0 H SER A 17 -14.933 -4.757 0.078 1.00 0.00 H new ATOM 0 HA SER A 17 -13.942 -4.289 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.318 -4.697 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.433 -3.159 -1.109 1.00 0.00 H new ATOM 0 HG SER A 17 -17.202 -3.035 -3.293 1.00 0.00 H new ATOM 272 N ARG A 18 -14.214 -1.463 -0.728 1.00 0.00 N ATOM 273 CA ARG A 18 -13.735 -0.079 -0.671 1.00 0.00 C ATOM 274 C ARG A 18 -14.374 0.689 0.483 1.00 0.00 C ATOM 275 O ARG A 18 -15.489 1.198 0.357 1.00 0.00 O ATOM 276 CB ARG A 18 -14.024 0.660 -1.980 1.00 0.00 C ATOM 277 CG ARG A 18 -13.074 1.816 -2.235 1.00 0.00 C ATOM 278 CD ARG A 18 -13.302 2.446 -3.598 1.00 0.00 C ATOM 279 NE ARG A 18 -12.192 3.312 -3.986 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.201 4.093 -5.061 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.266 4.130 -5.851 1.00 0.00 N ATOM 282 NH2 ARG A 18 -11.144 4.841 -5.345 1.00 0.00 N ATOM 0 H ARG A 18 -14.819 -1.733 0.047 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.658 -0.127 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.960 -0.044 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.047 1.036 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.204 2.571 -1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.045 1.463 -2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.430 1.662 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.226 3.024 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.360 3.318 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.082 3.558 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.269 4.731 -6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.324 4.817 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.150 5.441 -6.170 1.00 0.00 H new ATOM 296 N MET A 19 -13.669 0.765 1.607 1.00 0.00 N ATOM 297 CA MET A 19 -14.167 1.489 2.770 1.00 0.00 C ATOM 298 C MET A 19 -13.078 2.377 3.366 1.00 0.00 C ATOM 299 O MET A 19 -13.344 3.199 4.242 1.00 0.00 O ATOM 300 CB MET A 19 -14.694 0.520 3.828 1.00 0.00 C ATOM 301 CG MET A 19 -15.836 -0.352 3.334 1.00 0.00 C ATOM 302 SD MET A 19 -17.046 -0.711 4.624 1.00 0.00 S ATOM 303 CE MET A 19 -16.092 -1.778 5.700 1.00 0.00 C ATOM 0 H MET A 19 -12.753 0.335 1.737 1.00 0.00 H new ATOM 0 HA MET A 19 -14.989 2.124 2.440 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.877 -0.120 4.163 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.030 1.088 4.695 1.00 0.00 H new ATOM 0 HG2 MET A 19 -16.334 0.146 2.502 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.432 -1.289 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.633 -2.711 5.860 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.128 -1.992 5.239 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.934 -1.282 6.658 1.00 0.00 H new ATOM 313 N GLY A 20 -11.851 2.202 2.882 1.00 0.00 N ATOM 314 CA GLY A 20 -10.738 2.993 3.376 1.00 0.00 C ATOM 315 C GLY A 20 -10.115 2.400 4.625 1.00 0.00 C ATOM 316 O GLY A 20 -9.545 1.310 4.585 1.00 0.00 O ATOM 0 H GLY A 20 -11.608 1.527 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.979 3.073 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.082 4.005 3.590 1.00 0.00 H new ATOM 320 N ASP A 21 -10.224 3.123 5.737 1.00 0.00 N ATOM 321 CA ASP A 21 -9.669 2.666 7.007 1.00 0.00 C ATOM 322 C ASP A 21 -10.409 1.433 7.511 1.00 0.00 C ATOM 323 O ASP A 21 -9.869 0.643 8.286 1.00 0.00 O ATOM 324 CB ASP A 21 -9.754 3.779 8.052 1.00 0.00 C ATOM 325 CG ASP A 21 -8.971 5.012 7.648 1.00 0.00 C ATOM 326 OD1 ASP A 21 -7.772 5.092 7.990 1.00 0.00 O ATOM 327 OD2 ASP A 21 -9.555 5.898 6.990 1.00 0.00 O ATOM 0 H ASP A 21 -10.692 4.028 5.784 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.624 2.403 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.799 4.050 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.377 3.408 9.005 1.00 0.00 H new ATOM 332 N GLU A 22 -11.649 1.278 7.064 1.00 0.00 N ATOM 333 CA GLU A 22 -12.476 0.150 7.471 1.00 0.00 C ATOM 334 C GLU A 22 -12.154 -1.088 6.642 1.00 0.00 C ATOM 335 O GLU A 22 -12.376 -2.217 7.080 1.00 0.00 O ATOM 336 CB GLU A 22 -13.953 0.501 7.307 1.00 0.00 C ATOM 337 CG GLU A 22 -14.282 1.941 7.652 1.00 0.00 C ATOM 338 CD GLU A 22 -15.657 2.355 7.167 1.00 0.00 C ATOM 339 OE1 GLU A 22 -16.637 1.652 7.492 1.00 0.00 O ATOM 340 OE2 GLU A 22 -15.755 3.382 6.465 1.00 0.00 O ATOM 0 H GLU A 22 -12.105 1.922 6.417 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.264 -0.066 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.251 0.307 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.546 -0.159 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.226 2.074 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.532 2.597 7.211 1.00 0.00 H new ATOM 347 N ALA A 23 -11.628 -0.866 5.442 1.00 0.00 N ATOM 348 CA ALA A 23 -11.282 -1.959 4.544 1.00 0.00 C ATOM 349 C ALA A 23 -9.810 -2.338 4.663 1.00 0.00 C ATOM 350 O ALA A 23 -9.384 -3.371 4.144 1.00 0.00 O ATOM 351 CB ALA A 23 -11.618 -1.576 3.111 1.00 0.00 C ATOM 0 H ALA A 23 -11.432 0.063 5.069 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.869 -2.832 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.357 -2.398 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.685 -1.368 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.053 -0.687 2.830 1.00 0.00 H new ATOM 357 N PHE A 24 -9.039 -1.501 5.348 1.00 0.00 N ATOM 358 CA PHE A 24 -7.618 -1.753 5.534 1.00 0.00 C ATOM 359 C PHE A 24 -7.389 -3.029 6.334 1.00 0.00 C ATOM 360 O PHE A 24 -6.533 -3.841 5.993 1.00 0.00 O ATOM 361 CB PHE A 24 -6.963 -0.571 6.246 1.00 0.00 C ATOM 362 CG PHE A 24 -5.500 -0.450 5.954 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.640 -1.502 6.217 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.985 0.711 5.409 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.296 -1.398 5.943 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.639 0.821 5.134 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.792 -0.235 5.401 1.00 0.00 C ATOM 0 H PHE A 24 -9.376 -0.642 5.783 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.165 -1.878 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.465 0.349 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.106 -0.677 7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.029 -2.415 6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.644 1.540 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.636 -2.227 6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.247 1.734 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.737 -0.151 5.186 1.00 0.00 H new ATOM 377 N GLU A 25 -8.148 -3.199 7.406 1.00 0.00 N ATOM 378 CA GLU A 25 -8.013 -4.380 8.247 1.00 0.00 C ATOM 379 C GLU A 25 -8.361 -5.665 7.492 1.00 0.00 C ATOM 380 O GLU A 25 -7.544 -6.581 7.445 1.00 0.00 O ATOM 381 CB GLU A 25 -8.877 -4.265 9.489 1.00 0.00 C ATOM 382 CG GLU A 25 -8.118 -3.802 10.723 1.00 0.00 C ATOM 383 CD GLU A 25 -9.002 -3.706 11.950 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.129 -4.717 12.671 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.567 -2.618 12.189 1.00 0.00 O ATOM 0 H GLU A 25 -8.861 -2.538 7.714 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.966 -4.436 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.691 -3.567 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.331 -5.234 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.300 -4.494 10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.670 -2.828 10.525 1.00 0.00 H new ATOM 392 N PRO A 26 -9.580 -5.771 6.903 1.00 0.00 N ATOM 393 CA PRO A 26 -9.982 -6.969 6.156 1.00 0.00 C ATOM 394 C PRO A 26 -8.873 -7.437 5.225 1.00 0.00 C ATOM 395 O PRO A 26 -8.772 -8.619 4.892 1.00 0.00 O ATOM 396 CB PRO A 26 -11.199 -6.494 5.366 1.00 0.00 C ATOM 397 CG PRO A 26 -11.802 -5.437 6.224 1.00 0.00 C ATOM 398 CD PRO A 26 -10.651 -4.752 6.913 1.00 0.00 C ATOM 0 HA PRO A 26 -10.196 -7.821 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.912 -6.100 4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.900 -7.309 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.375 -4.729 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.489 -5.870 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.349 -3.848 6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.912 -4.455 7.929 1.00 0.00 H new ATOM 406 N LEU A 27 -8.043 -6.487 4.815 1.00 0.00 N ATOM 407 CA LEU A 27 -6.908 -6.763 3.953 1.00 0.00 C ATOM 408 C LEU A 27 -5.844 -7.517 4.739 1.00 0.00 C ATOM 409 O LEU A 27 -5.415 -8.605 4.355 1.00 0.00 O ATOM 410 CB LEU A 27 -6.337 -5.447 3.437 1.00 0.00 C ATOM 411 CG LEU A 27 -7.170 -4.748 2.360 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.641 -3.345 2.104 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.171 -5.556 1.073 1.00 0.00 C ATOM 0 H LEU A 27 -8.140 -5.505 5.072 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.227 -7.374 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.219 -4.766 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.341 -5.635 3.037 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.196 -4.672 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.245 -2.863 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.693 -2.763 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.605 -3.402 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.769 -5.041 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.149 -5.666 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.596 -6.542 1.262 1.00 0.00 H new ATOM 425 N LEU A 28 -5.425 -6.914 5.850 1.00 0.00 N ATOM 426 CA LEU A 28 -4.430 -7.510 6.731 1.00 0.00 C ATOM 427 C LEU A 28 -4.971 -8.804 7.326 1.00 0.00 C ATOM 428 O LEU A 28 -4.216 -9.649 7.810 1.00 0.00 O ATOM 429 CB LEU A 28 -4.069 -6.516 7.843 1.00 0.00 C ATOM 430 CG LEU A 28 -3.401 -7.113 9.086 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.017 -7.647 8.751 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.320 -6.075 10.196 1.00 0.00 C ATOM 0 H LEU A 28 -5.765 -6.004 6.161 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.531 -7.742 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.404 -5.760 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.979 -6.003 8.155 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.011 -7.946 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.562 -8.066 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.101 -8.423 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.395 -6.835 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.843 -6.515 11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.734 -5.222 9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.325 -5.744 10.458 1.00 0.00 H new ATOM 444 N GLU A 29 -6.291 -8.952 7.273 1.00 0.00 N ATOM 445 CA GLU A 29 -6.955 -10.134 7.801 1.00 0.00 C ATOM 446 C GLU A 29 -6.923 -11.269 6.783 1.00 0.00 C ATOM 447 O GLU A 29 -6.900 -12.445 7.150 1.00 0.00 O ATOM 448 CB GLU A 29 -8.403 -9.804 8.172 1.00 0.00 C ATOM 449 CG GLU A 29 -9.167 -10.984 8.748 1.00 0.00 C ATOM 450 CD GLU A 29 -10.541 -10.596 9.255 1.00 0.00 C ATOM 451 OE1 GLU A 29 -10.645 -10.170 10.425 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.515 -10.720 8.483 1.00 0.00 O ATOM 0 H GLU A 29 -6.923 -8.262 6.867 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.423 -10.456 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.407 -8.990 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.923 -9.443 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.270 -11.754 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.592 -11.421 9.565 1.00 0.00 H new ATOM 459 N SER A 30 -6.920 -10.907 5.504 1.00 0.00 N ATOM 460 CA SER A 30 -6.893 -11.891 4.429 1.00 0.00 C ATOM 461 C SER A 30 -5.586 -12.678 4.441 1.00 0.00 C ATOM 462 O SER A 30 -5.487 -13.743 3.832 1.00 0.00 O ATOM 463 CB SER A 30 -7.075 -11.207 3.073 1.00 0.00 C ATOM 464 OG SER A 30 -7.014 -12.147 2.016 1.00 0.00 O ATOM 0 H SER A 30 -6.936 -9.938 5.187 1.00 0.00 H new ATOM 0 HA SER A 30 -7.717 -12.586 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.034 -10.690 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.302 -10.451 2.937 1.00 0.00 H new ATOM 0 HG SER A 30 -6.825 -11.681 1.175 1.00 0.00 H new ATOM 470 N LEU A 31 -4.582 -12.148 5.134 1.00 0.00 N ATOM 471 CA LEU A 31 -3.285 -12.807 5.220 1.00 0.00 C ATOM 472 C LEU A 31 -3.391 -14.121 5.987 1.00 0.00 C ATOM 473 O LEU A 31 -2.538 -14.996 5.857 1.00 0.00 O ATOM 474 CB LEU A 31 -2.258 -11.888 5.884 1.00 0.00 C ATOM 475 CG LEU A 31 -1.903 -10.628 5.089 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.908 -9.776 5.859 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.342 -10.996 3.722 1.00 0.00 C ATOM 0 H LEU A 31 -4.643 -11.266 5.643 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.952 -13.028 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.640 -11.587 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.345 -12.457 6.060 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.814 -10.048 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.667 -8.885 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.344 -9.481 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.001 -10.350 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.096 -10.087 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.442 -11.598 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.085 -11.566 3.165 1.00 0.00 H new ATOM 489 N SER A 32 -4.443 -14.248 6.789 1.00 0.00 N ATOM 490 CA SER A 32 -4.663 -15.461 7.568 1.00 0.00 C ATOM 491 C SER A 32 -5.494 -16.465 6.775 1.00 0.00 C ATOM 492 O SER A 32 -6.082 -17.387 7.342 1.00 0.00 O ATOM 493 CB SER A 32 -5.361 -15.129 8.888 1.00 0.00 C ATOM 494 OG SER A 32 -4.611 -14.189 9.640 1.00 0.00 O ATOM 0 H SER A 32 -5.154 -13.528 6.916 1.00 0.00 H new ATOM 0 HA SER A 32 -3.693 -15.907 7.786 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.355 -14.729 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.496 -16.040 9.471 1.00 0.00 H new ATOM 0 HG SER A 32 -5.079 -13.992 10.478 1.00 0.00 H new ATOM 500 N ASN A 33 -5.534 -16.282 5.457 1.00 0.00 N ATOM 501 CA ASN A 33 -6.292 -17.169 4.580 1.00 0.00 C ATOM 502 C ASN A 33 -5.372 -18.164 3.879 1.00 0.00 C ATOM 503 O ASN A 33 -4.347 -17.786 3.312 1.00 0.00 O ATOM 504 CB ASN A 33 -7.069 -16.356 3.543 1.00 0.00 C ATOM 505 CG ASN A 33 -8.198 -15.552 4.161 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.538 -14.470 3.683 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.788 -16.080 5.228 1.00 0.00 N ATOM 0 H ASN A 33 -5.049 -15.526 4.973 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.997 -17.728 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.385 -15.680 3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.477 -17.030 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.555 -15.585 5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.474 -16.980 5.591 1.00 0.00 H new ATOM 514 N GLU A 34 -5.754 -19.436 3.916 1.00 0.00 N ATOM 515 CA GLU A 34 -4.968 -20.497 3.294 1.00 0.00 C ATOM 516 C GLU A 34 -4.950 -20.361 1.774 1.00 0.00 C ATOM 517 O GLU A 34 -4.176 -21.035 1.094 1.00 0.00 O ATOM 518 CB GLU A 34 -5.530 -21.864 3.685 1.00 0.00 C ATOM 519 CG GLU A 34 -5.480 -22.139 5.179 1.00 0.00 C ATOM 520 CD GLU A 34 -4.071 -22.077 5.735 1.00 0.00 C ATOM 521 OE1 GLU A 34 -3.356 -23.097 5.654 1.00 0.00 O ATOM 522 OE2 GLU A 34 -3.682 -21.007 6.250 1.00 0.00 O ATOM 0 H GLU A 34 -6.607 -19.759 4.372 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.943 -20.407 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.564 -21.933 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.971 -22.640 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.105 -21.413 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.902 -23.124 5.378 1.00 0.00 H new ATOM 529 N ASP A 35 -5.803 -19.490 1.245 1.00 0.00 N ATOM 530 CA ASP A 35 -5.880 -19.282 -0.196 1.00 0.00 C ATOM 531 C ASP A 35 -4.863 -18.245 -0.662 1.00 0.00 C ATOM 532 O ASP A 35 -4.726 -17.179 -0.061 1.00 0.00 O ATOM 533 CB ASP A 35 -7.289 -18.839 -0.596 1.00 0.00 C ATOM 534 CG ASP A 35 -8.352 -19.826 -0.156 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.630 -20.777 -0.918 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.908 -19.648 0.948 1.00 0.00 O ATOM 0 H ASP A 35 -6.448 -18.919 1.790 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.649 -20.231 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.499 -17.864 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.335 -18.718 -1.678 1.00 0.00 H new ATOM 541 N TRP A 36 -4.151 -18.572 -1.735 1.00 0.00 N ATOM 542 CA TRP A 36 -3.151 -17.673 -2.300 1.00 0.00 C ATOM 543 C TRP A 36 -3.823 -16.591 -3.137 1.00 0.00 C ATOM 544 O TRP A 36 -3.341 -15.462 -3.219 1.00 0.00 O ATOM 545 CB TRP A 36 -2.159 -18.459 -3.161 1.00 0.00 C ATOM 546 CG TRP A 36 -2.823 -19.293 -4.216 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.342 -20.546 -4.063 1.00 0.00 C ATOM 548 CD2 TRP A 36 -3.040 -18.933 -5.586 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.870 -20.986 -5.252 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.697 -20.016 -6.200 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.744 -17.803 -6.353 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -4.063 -20.002 -7.542 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -3.110 -17.791 -7.687 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.763 -18.885 -8.268 1.00 0.00 C ATOM 0 H TRP A 36 -4.249 -19.457 -2.233 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.610 -17.198 -1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.470 -17.762 -3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.563 -19.106 -2.518 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.338 -21.109 -3.142 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.318 -21.890 -5.403 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.239 -16.956 -5.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.566 -20.844 -7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.888 -16.923 -8.291 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.035 -18.844 -9.312 1.00 0.00 H new ATOM 565 N ARG A 37 -4.943 -16.952 -3.757 1.00 0.00 N ATOM 566 CA ARG A 37 -5.697 -16.029 -4.590 1.00 0.00 C ATOM 567 C ARG A 37 -6.267 -14.880 -3.762 1.00 0.00 C ATOM 568 O ARG A 37 -6.100 -13.711 -4.110 1.00 0.00 O ATOM 569 CB ARG A 37 -6.831 -16.774 -5.293 1.00 0.00 C ATOM 570 CG ARG A 37 -7.527 -15.950 -6.360 1.00 0.00 C ATOM 571 CD ARG A 37 -8.786 -16.636 -6.865 1.00 0.00 C ATOM 572 NE ARG A 37 -9.403 -15.901 -7.966 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.702 -15.627 -8.035 1.00 0.00 C ATOM 574 NH1 ARG A 37 -11.521 -16.022 -7.069 1.00 0.00 N ATOM 575 NH2 ARG A 37 -11.183 -14.954 -9.071 1.00 0.00 N ATOM 0 H ARG A 37 -5.348 -17.886 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.019 -15.609 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.432 -17.681 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.565 -17.087 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.783 -14.971 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.845 -15.782 -7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.542 -17.646 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.500 -16.732 -6.047 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.803 -15.580 -8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.155 -16.538 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.517 -15.810 -7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.556 -14.647 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.180 -14.744 -9.124 1.00 0.00 H new ATOM 589 N ILE A 38 -6.939 -15.220 -2.665 1.00 0.00 N ATOM 590 CA ILE A 38 -7.534 -14.213 -1.792 1.00 0.00 C ATOM 591 C ILE A 38 -6.462 -13.378 -1.102 1.00 0.00 C ATOM 592 O ILE A 38 -6.503 -12.148 -1.142 1.00 0.00 O ATOM 593 CB ILE A 38 -8.443 -14.852 -0.720 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.567 -15.651 -1.385 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.016 -13.777 0.196 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.464 -16.375 -0.403 1.00 0.00 C ATOM 0 H ILE A 38 -7.085 -16.183 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.140 -13.568 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.846 -15.536 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.174 -14.975 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.128 -16.379 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.655 -14.242 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.201 -13.248 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.602 -13.072 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.236 -16.919 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.870 -17.077 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.932 -15.651 0.264 1.00 0.00 H new ATOM 608 N ARG A 39 -5.504 -14.049 -0.466 1.00 0.00 N ATOM 609 CA ARG A 39 -4.425 -13.358 0.232 1.00 0.00 C ATOM 610 C ARG A 39 -3.650 -12.461 -0.727 1.00 0.00 C ATOM 611 O ARG A 39 -3.028 -11.482 -0.312 1.00 0.00 O ATOM 612 CB ARG A 39 -3.474 -14.362 0.888 1.00 0.00 C ATOM 613 CG ARG A 39 -2.375 -13.700 1.704 1.00 0.00 C ATOM 614 CD ARG A 39 -1.363 -14.710 2.223 1.00 0.00 C ATOM 615 NE ARG A 39 -1.971 -15.705 3.101 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.271 -16.575 3.826 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.055 -16.564 3.781 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.895 -17.453 4.601 1.00 0.00 N ATOM 0 H ARG A 39 -5.454 -15.067 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.872 -12.738 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.047 -15.027 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.020 -14.982 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.864 -12.958 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.819 -13.167 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.891 -15.214 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.575 -14.186 2.763 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.989 -15.735 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.540 -15.888 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.590 -17.231 4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.914 -17.463 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.356 -18.118 5.155 1.00 0.00 H new ATOM 632 N GLY A 40 -3.693 -12.800 -2.011 1.00 0.00 N ATOM 633 CA GLY A 40 -2.992 -12.016 -3.009 1.00 0.00 C ATOM 634 C GLY A 40 -3.615 -10.649 -3.215 1.00 0.00 C ATOM 635 O GLY A 40 -2.948 -9.629 -3.052 1.00 0.00 O ATOM 0 H GLY A 40 -4.201 -13.605 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.952 -11.896 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.989 -12.557 -3.955 1.00 0.00 H new ATOM 639 N ALA A 41 -4.896 -10.632 -3.571 1.00 0.00 N ATOM 640 CA ALA A 41 -5.618 -9.385 -3.803 1.00 0.00 C ATOM 641 C ALA A 41 -5.433 -8.411 -2.645 1.00 0.00 C ATOM 642 O ALA A 41 -5.316 -7.204 -2.853 1.00 0.00 O ATOM 643 CB ALA A 41 -7.096 -9.667 -4.024 1.00 0.00 C ATOM 0 H ALA A 41 -5.458 -11.472 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.206 -8.921 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.624 -8.729 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.217 -10.316 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.508 -10.159 -3.143 1.00 0.00 H new ATOM 649 N ALA A 42 -5.406 -8.940 -1.425 1.00 0.00 N ATOM 650 CA ALA A 42 -5.231 -8.110 -0.239 1.00 0.00 C ATOM 651 C ALA A 42 -3.935 -7.313 -0.324 1.00 0.00 C ATOM 652 O ALA A 42 -3.932 -6.092 -0.167 1.00 0.00 O ATOM 653 CB ALA A 42 -5.244 -8.970 1.016 1.00 0.00 C ATOM 0 H ALA A 42 -5.503 -9.937 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.062 -7.406 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.112 -8.336 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.197 -9.495 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.432 -9.696 0.968 1.00 0.00 H new ATOM 659 N ALA A 43 -2.840 -8.018 -0.573 1.00 0.00 N ATOM 660 CA ALA A 43 -1.527 -7.396 -0.692 1.00 0.00 C ATOM 661 C ALA A 43 -1.458 -6.489 -1.914 1.00 0.00 C ATOM 662 O ALA A 43 -0.783 -5.459 -1.905 1.00 0.00 O ATOM 663 CB ALA A 43 -0.463 -8.471 -0.795 1.00 0.00 C ATOM 0 H ALA A 43 -2.835 -9.030 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.354 -6.788 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.518 -8.005 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.489 -9.095 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.653 -9.088 -1.674 1.00 0.00 H new ATOM 669 N TRP A 44 -2.169 -6.885 -2.960 1.00 0.00 N ATOM 670 CA TRP A 44 -2.189 -6.142 -4.213 1.00 0.00 C ATOM 671 C TRP A 44 -2.851 -4.771 -4.068 1.00 0.00 C ATOM 672 O TRP A 44 -2.515 -3.835 -4.793 1.00 0.00 O ATOM 673 CB TRP A 44 -2.905 -6.964 -5.286 1.00 0.00 C ATOM 674 CG TRP A 44 -1.995 -7.921 -5.991 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.240 -8.905 -5.422 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.738 -7.983 -7.399 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.524 -9.569 -6.387 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.813 -9.023 -7.609 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.201 -7.260 -8.501 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.341 -9.357 -8.875 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.733 -7.592 -9.758 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.811 -8.632 -9.936 1.00 0.00 C ATOM 0 H TRP A 44 -2.746 -7.726 -2.965 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.155 -5.966 -4.508 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.722 -7.520 -4.826 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.350 -6.289 -6.017 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.210 -9.129 -4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.119 -10.343 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.911 -6.457 -8.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.370 -10.158 -9.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.084 -7.041 -10.618 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.464 -8.866 -10.932 1.00 0.00 H new ATOM 693 N ILE A 45 -3.790 -4.654 -3.133 1.00 0.00 N ATOM 694 CA ILE A 45 -4.502 -3.397 -2.922 1.00 0.00 C ATOM 695 C ILE A 45 -3.937 -2.625 -1.733 1.00 0.00 C ATOM 696 O ILE A 45 -4.022 -1.397 -1.679 1.00 0.00 O ATOM 697 CB ILE A 45 -6.008 -3.641 -2.700 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.577 -4.500 -3.832 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.752 -2.317 -2.608 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.007 -4.944 -3.602 1.00 0.00 C ATOM 0 H ILE A 45 -4.075 -5.411 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.364 -2.802 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.141 -4.175 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.527 -3.937 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.948 -5.381 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.814 -2.506 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.360 -1.737 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.616 -1.758 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.341 -5.548 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.062 -5.536 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.649 -4.068 -3.506 1.00 0.00 H new ATOM 712 N ILE A 46 -3.359 -3.353 -0.786 1.00 0.00 N ATOM 713 CA ILE A 46 -2.797 -2.749 0.416 1.00 0.00 C ATOM 714 C ILE A 46 -1.714 -1.719 0.088 1.00 0.00 C ATOM 715 O ILE A 46 -1.540 -0.741 0.814 1.00 0.00 O ATOM 716 CB ILE A 46 -2.225 -3.834 1.361 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.418 -3.418 2.818 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.753 -4.099 1.074 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.671 -4.582 3.751 1.00 0.00 C ATOM 0 H ILE A 46 -3.267 -4.368 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.611 -2.229 0.920 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.771 -4.760 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.532 -2.880 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.256 -2.724 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.382 -4.865 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.639 -4.441 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.183 -3.181 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.799 -4.212 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.574 -5.108 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.823 -5.266 3.717 1.00 0.00 H new ATOM 731 N GLY A 47 -1.000 -1.936 -1.013 1.00 0.00 N ATOM 732 CA GLY A 47 0.063 -1.022 -1.402 1.00 0.00 C ATOM 733 C GLY A 47 -0.441 0.343 -1.839 1.00 0.00 C ATOM 734 O GLY A 47 0.310 1.318 -1.819 1.00 0.00 O ATOM 0 H GLY A 47 -1.137 -2.727 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.748 -0.896 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.634 -1.467 -2.216 1.00 0.00 H new ATOM 738 N ASN A 48 -1.708 0.418 -2.233 1.00 0.00 N ATOM 739 CA ASN A 48 -2.294 1.677 -2.688 1.00 0.00 C ATOM 740 C ASN A 48 -2.484 2.665 -1.539 1.00 0.00 C ATOM 741 O ASN A 48 -2.514 3.877 -1.755 1.00 0.00 O ATOM 742 CB ASN A 48 -3.636 1.417 -3.376 1.00 0.00 C ATOM 743 CG ASN A 48 -3.475 0.673 -4.687 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.414 -0.651 -4.613 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -3.400 1.283 -5.754 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.349 -0.375 -2.247 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.599 2.122 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.278 0.840 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.138 2.367 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.452 2.302 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.286 0.770 -6.628 1.00 0.00 H new ATOM 752 N PHE A 49 -2.611 2.150 -0.320 1.00 0.00 N ATOM 753 CA PHE A 49 -2.809 3.001 0.849 1.00 0.00 C ATOM 754 C PHE A 49 -1.556 3.808 1.188 1.00 0.00 C ATOM 755 O PHE A 49 -1.655 4.948 1.644 1.00 0.00 O ATOM 756 CB PHE A 49 -3.228 2.159 2.053 1.00 0.00 C ATOM 757 CG PHE A 49 -4.662 1.712 2.003 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.665 2.507 2.537 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.007 0.502 1.426 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.984 2.100 2.496 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.324 0.090 1.383 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.315 0.890 1.918 1.00 0.00 C ATOM 0 H PHE A 49 -2.581 1.151 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.603 3.707 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.584 1.282 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.067 2.736 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.412 3.454 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.237 -0.127 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.756 2.728 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.579 -0.857 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.346 0.570 1.884 1.00 0.00 H new ATOM 772 N GLN A 50 -0.384 3.212 0.975 1.00 0.00 N ATOM 773 CA GLN A 50 0.887 3.881 1.261 1.00 0.00 C ATOM 774 C GLN A 50 1.025 4.139 2.754 1.00 0.00 C ATOM 775 O GLN A 50 1.841 4.954 3.185 1.00 0.00 O ATOM 776 CB GLN A 50 0.995 5.201 0.495 1.00 0.00 C ATOM 777 CG GLN A 50 1.091 5.023 -1.008 1.00 0.00 C ATOM 778 CD GLN A 50 0.850 6.313 -1.767 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.783 7.062 -2.055 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.409 6.582 -2.093 1.00 0.00 N ATOM 0 H GLN A 50 -0.287 2.266 0.605 1.00 0.00 H new ATOM 0 HA GLN A 50 1.693 3.224 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.126 5.817 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.873 5.744 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.078 4.636 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.364 4.277 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.152 5.933 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.632 7.437 -2.602 1.00 0.00 H new ATOM 789 N ASP A 51 0.220 3.430 3.534 1.00 0.00 N ATOM 790 CA ASP A 51 0.233 3.573 4.983 1.00 0.00 C ATOM 791 C ASP A 51 1.233 2.615 5.624 1.00 0.00 C ATOM 792 O ASP A 51 1.690 1.663 4.992 1.00 0.00 O ATOM 793 CB ASP A 51 -1.167 3.321 5.541 1.00 0.00 C ATOM 794 CG ASP A 51 -2.097 4.498 5.317 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.719 4.567 4.236 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.202 5.352 6.223 1.00 0.00 O ATOM 0 H ASP A 51 -0.453 2.747 3.185 1.00 0.00 H new ATOM 0 HA ASP A 51 0.541 4.591 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.589 2.433 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.098 3.113 6.609 1.00 0.00 H new ATOM 801 N GLU A 52 1.568 2.878 6.884 1.00 0.00 N ATOM 802 CA GLU A 52 2.514 2.048 7.620 1.00 0.00 C ATOM 803 C GLU A 52 1.985 0.625 7.783 1.00 0.00 C ATOM 804 O GLU A 52 2.745 -0.341 7.732 1.00 0.00 O ATOM 805 CB GLU A 52 2.796 2.661 8.993 1.00 0.00 C ATOM 806 CG GLU A 52 1.557 2.797 9.865 1.00 0.00 C ATOM 807 CD GLU A 52 1.827 3.557 11.149 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.711 4.800 11.139 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.155 2.907 12.165 1.00 0.00 O ATOM 0 H GLU A 52 1.196 3.663 7.418 1.00 0.00 H new ATOM 0 HA GLU A 52 3.441 2.005 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.530 2.045 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.244 3.645 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.776 3.308 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.178 1.804 10.108 1.00 0.00 H new ATOM 816 N ARG A 53 0.675 0.508 7.981 1.00 0.00 N ATOM 817 CA ARG A 53 0.036 -0.793 8.147 1.00 0.00 C ATOM 818 C ARG A 53 0.078 -1.586 6.842 1.00 0.00 C ATOM 819 O ARG A 53 -0.251 -2.772 6.812 1.00 0.00 O ATOM 820 CB ARG A 53 -1.412 -0.618 8.622 1.00 0.00 C ATOM 821 CG ARG A 53 -2.093 -1.922 9.009 1.00 0.00 C ATOM 822 CD ARG A 53 -3.413 -1.670 9.720 1.00 0.00 C ATOM 823 NE ARG A 53 -3.225 -1.023 11.016 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.112 -0.198 11.565 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.239 0.088 10.928 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.872 0.341 12.753 1.00 0.00 N ATOM 0 H ARG A 53 0.035 1.300 8.030 1.00 0.00 H new ATOM 0 HA ARG A 53 0.586 -1.352 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.425 0.056 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.989 -0.139 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.268 -2.522 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.434 -2.500 9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.049 -1.045 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.935 -2.617 9.860 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.365 -1.215 11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.427 -0.325 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.918 0.721 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.006 0.123 13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.553 0.974 13.173 1.00 0.00 H new ATOM 840 N ALA A 54 0.491 -0.921 5.765 1.00 0.00 N ATOM 841 CA ALA A 54 0.571 -1.555 4.454 1.00 0.00 C ATOM 842 C ALA A 54 2.011 -1.903 4.119 1.00 0.00 C ATOM 843 O ALA A 54 2.299 -2.475 3.067 1.00 0.00 O ATOM 844 CB ALA A 54 -0.008 -0.639 3.386 1.00 0.00 C ATOM 0 H ALA A 54 0.776 0.058 5.776 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.013 -2.475 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.059 -1.126 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.053 -0.428 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.554 0.295 3.364 1.00 0.00 H new ATOM 850 N VAL A 55 2.912 -1.550 5.023 1.00 0.00 N ATOM 851 CA VAL A 55 4.329 -1.813 4.837 1.00 0.00 C ATOM 852 C VAL A 55 4.704 -3.197 5.354 1.00 0.00 C ATOM 853 O VAL A 55 5.564 -3.869 4.785 1.00 0.00 O ATOM 854 CB VAL A 55 5.185 -0.756 5.558 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.657 -0.978 5.272 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.763 0.647 5.147 1.00 0.00 C ATOM 0 H VAL A 55 2.684 -1.078 5.898 1.00 0.00 H new ATOM 0 HA VAL A 55 4.527 -1.767 3.766 1.00 0.00 H new ATOM 0 HB VAL A 55 5.026 -0.859 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.246 -0.221 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.950 -1.968 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.834 -0.904 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.380 1.380 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.890 0.765 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.716 0.803 5.408 1.00 0.00 H new ATOM 866 N GLU A 56 4.051 -3.618 6.434 1.00 0.00 N ATOM 867 CA GLU A 56 4.326 -4.923 7.028 1.00 0.00 C ATOM 868 C GLU A 56 4.051 -6.059 6.039 1.00 0.00 C ATOM 869 O GLU A 56 4.892 -6.941 5.865 1.00 0.00 O ATOM 870 CB GLU A 56 3.515 -5.125 8.310 1.00 0.00 C ATOM 871 CG GLU A 56 3.777 -6.461 8.987 1.00 0.00 C ATOM 872 CD GLU A 56 2.851 -7.557 8.496 1.00 0.00 C ATOM 873 OE1 GLU A 56 1.681 -7.586 8.935 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.294 -8.386 7.674 1.00 0.00 O ATOM 0 H GLU A 56 3.331 -3.077 6.914 1.00 0.00 H new ATOM 0 HA GLU A 56 5.386 -4.947 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.747 -4.321 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.453 -5.047 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.811 -6.757 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.659 -6.347 10.065 1.00 0.00 H new ATOM 881 N PRO A 57 2.869 -6.069 5.382 1.00 0.00 N ATOM 882 CA PRO A 57 2.528 -7.112 4.412 1.00 0.00 C ATOM 883 C PRO A 57 3.651 -7.351 3.414 1.00 0.00 C ATOM 884 O PRO A 57 4.077 -8.483 3.201 1.00 0.00 O ATOM 885 CB PRO A 57 1.297 -6.548 3.702 1.00 0.00 C ATOM 886 CG PRO A 57 0.659 -5.652 4.706 1.00 0.00 C ATOM 887 CD PRO A 57 1.781 -5.079 5.530 1.00 0.00 C ATOM 0 HA PRO A 57 2.355 -8.076 4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.575 -6.000 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.619 -7.343 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.092 -4.860 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.041 -6.205 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.082 -4.096 5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.490 -4.958 6.573 1.00 0.00 H new ATOM 895 N LEU A 58 4.134 -6.269 2.818 1.00 0.00 N ATOM 896 CA LEU A 58 5.202 -6.350 1.830 1.00 0.00 C ATOM 897 C LEU A 58 6.453 -7.015 2.401 1.00 0.00 C ATOM 898 O LEU A 58 7.201 -7.666 1.675 1.00 0.00 O ATOM 899 CB LEU A 58 5.543 -4.950 1.312 1.00 0.00 C ATOM 900 CG LEU A 58 4.338 -4.033 1.075 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.788 -2.679 0.554 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.351 -4.675 0.111 1.00 0.00 C ATOM 0 H LEU A 58 3.802 -5.322 3.002 1.00 0.00 H new ATOM 0 HA LEU A 58 4.845 -6.968 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.212 -4.468 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.094 -5.050 0.377 1.00 0.00 H new ATOM 0 HG LEU A 58 3.834 -3.883 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.917 -2.044 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.449 -2.210 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.321 -2.810 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.504 -4.006 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.843 -4.861 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.997 -5.618 0.527 1.00 0.00 H new ATOM 914 N ILE A 59 6.673 -6.859 3.704 1.00 0.00 N ATOM 915 CA ILE A 59 7.847 -7.440 4.351 1.00 0.00 C ATOM 916 C ILE A 59 7.851 -8.967 4.264 1.00 0.00 C ATOM 917 O ILE A 59 8.779 -9.561 3.715 1.00 0.00 O ATOM 918 CB ILE A 59 7.954 -7.005 5.829 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.257 -5.504 5.920 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.023 -7.814 6.556 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.588 -5.108 5.312 1.00 0.00 C ATOM 0 H ILE A 59 6.058 -6.339 4.330 1.00 0.00 H new ATOM 0 HA ILE A 59 8.714 -7.062 3.809 1.00 0.00 H new ATOM 0 HB ILE A 59 6.997 -7.197 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.461 -4.952 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.243 -5.203 6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.080 -7.490 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.766 -8.873 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.988 -7.658 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.730 -4.032 5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.393 -5.631 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.599 -5.376 4.255 1.00 0.00 H new ATOM 933 N LYS A 60 6.813 -9.596 4.806 1.00 0.00 N ATOM 934 CA LYS A 60 6.713 -11.054 4.795 1.00 0.00 C ATOM 935 C LYS A 60 6.455 -11.586 3.388 1.00 0.00 C ATOM 936 O LYS A 60 6.955 -12.647 3.015 1.00 0.00 O ATOM 937 CB LYS A 60 5.589 -11.512 5.726 1.00 0.00 C ATOM 938 CG LYS A 60 5.502 -13.023 5.879 1.00 0.00 C ATOM 939 CD LYS A 60 4.203 -13.448 6.547 1.00 0.00 C ATOM 940 CE LYS A 60 4.062 -12.852 7.941 1.00 0.00 C ATOM 941 NZ LYS A 60 2.759 -13.206 8.566 1.00 0.00 N ATOM 0 H LYS A 60 6.031 -9.122 5.257 1.00 0.00 H new ATOM 0 HA LYS A 60 7.666 -11.453 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.737 -11.064 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.638 -11.138 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.577 -13.493 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.347 -13.378 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.359 -13.136 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.166 -14.535 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.876 -13.208 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.154 -11.767 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.702 -12.781 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.982 -12.844 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.681 -14.240 8.645 1.00 0.00 H new ATOM 955 N LEU A 61 5.671 -10.842 2.618 1.00 0.00 N ATOM 956 CA LEU A 61 5.320 -11.231 1.254 1.00 0.00 C ATOM 957 C LEU A 61 6.551 -11.503 0.399 1.00 0.00 C ATOM 958 O LEU A 61 6.676 -12.576 -0.187 1.00 0.00 O ATOM 959 CB LEU A 61 4.469 -10.141 0.612 1.00 0.00 C ATOM 960 CG LEU A 61 2.959 -10.266 0.832 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.638 -10.885 2.189 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.304 -8.902 0.708 1.00 0.00 C ATOM 0 H LEU A 61 5.262 -9.957 2.917 1.00 0.00 H new ATOM 0 HA LEU A 61 4.753 -12.160 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.796 -9.175 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.663 -10.138 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 61 2.561 -10.930 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.557 -10.958 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.077 -11.881 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.050 -10.259 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.230 -8.999 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.722 -8.228 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.490 -8.498 -0.287 1.00 0.00 H new ATOM 974 N LEU A 62 7.448 -10.526 0.317 1.00 0.00 N ATOM 975 CA LEU A 62 8.668 -10.669 -0.470 1.00 0.00 C ATOM 976 C LEU A 62 9.443 -11.923 -0.065 1.00 0.00 C ATOM 977 O LEU A 62 10.373 -12.337 -0.755 1.00 0.00 O ATOM 978 CB LEU A 62 9.547 -9.429 -0.296 1.00 0.00 C ATOM 979 CG LEU A 62 8.898 -8.116 -0.739 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.566 -6.932 -0.055 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.972 -7.969 -2.252 1.00 0.00 C ATOM 0 H LEU A 62 7.353 -9.625 0.786 1.00 0.00 H new ATOM 0 HA LEU A 62 8.388 -10.770 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.827 -9.344 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.468 -9.572 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 62 7.848 -8.135 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.091 -6.007 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.462 -7.030 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.624 -6.909 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.506 -7.030 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.015 -7.972 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.448 -8.800 -2.724 1.00 0.00 H new ATOM 993 N GLU A 63 9.054 -12.521 1.057 1.00 0.00 N ATOM 994 CA GLU A 63 9.708 -13.724 1.552 1.00 0.00 C ATOM 995 C GLU A 63 8.763 -14.924 1.522 1.00 0.00 C ATOM 996 O GLU A 63 9.200 -16.070 1.628 1.00 0.00 O ATOM 997 CB GLU A 63 10.205 -13.495 2.978 1.00 0.00 C ATOM 998 CG GLU A 63 11.690 -13.763 3.156 1.00 0.00 C ATOM 999 CD GLU A 63 12.164 -13.490 4.569 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.309 -12.303 4.929 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.387 -14.464 5.318 1.00 0.00 O ATOM 0 H GLU A 63 8.286 -12.189 1.641 1.00 0.00 H new ATOM 0 HA GLU A 63 10.553 -13.941 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.993 -12.465 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.645 -14.138 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.902 -14.801 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.254 -13.141 2.461 1.00 0.00 H new ATOM 1008 N ASP A 64 7.469 -14.654 1.377 1.00 0.00 N ATOM 1009 CA ASP A 64 6.464 -15.713 1.349 1.00 0.00 C ATOM 1010 C ASP A 64 6.697 -16.661 0.190 1.00 0.00 C ATOM 1011 O ASP A 64 6.562 -17.877 0.321 1.00 0.00 O ATOM 1012 CB ASP A 64 5.053 -15.125 1.272 1.00 0.00 C ATOM 1013 CG ASP A 64 4.502 -14.766 2.639 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.215 -15.693 3.424 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.353 -13.559 2.923 1.00 0.00 O ATOM 0 H ASP A 64 7.091 -13.712 1.277 1.00 0.00 H new ATOM 0 HA ASP A 64 6.557 -16.277 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.067 -14.235 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.388 -15.843 0.792 1.00 0.00 H new ATOM 1020 N ASP A 65 7.042 -16.082 -0.943 1.00 0.00 N ATOM 1021 CA ASP A 65 7.300 -16.848 -2.156 1.00 0.00 C ATOM 1022 C ASP A 65 6.045 -17.608 -2.562 1.00 0.00 C ATOM 1023 O ASP A 65 6.114 -18.660 -3.197 1.00 0.00 O ATOM 1024 CB ASP A 65 8.467 -17.818 -1.936 1.00 0.00 C ATOM 1025 CG ASP A 65 8.911 -18.498 -3.217 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.624 -17.853 -4.015 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.550 -19.676 -3.421 1.00 0.00 O ATOM 0 H ASP A 65 7.152 -15.074 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 65 7.572 -16.162 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.309 -17.276 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.172 -18.576 -1.210 1.00 0.00 H new ATOM 1032 N SER A 66 4.892 -17.054 -2.198 1.00 0.00 N ATOM 1033 CA SER A 66 3.616 -17.677 -2.506 1.00 0.00 C ATOM 1034 C SER A 66 3.178 -17.357 -3.932 1.00 0.00 C ATOM 1035 O SER A 66 2.109 -17.780 -4.372 1.00 0.00 O ATOM 1036 CB SER A 66 2.560 -17.206 -1.511 1.00 0.00 C ATOM 1037 OG SER A 66 2.913 -17.557 -0.184 1.00 0.00 O ATOM 0 H SER A 66 4.819 -16.173 -1.689 1.00 0.00 H new ATOM 0 HA SER A 66 3.731 -18.758 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.443 -16.125 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.596 -17.649 -1.763 1.00 0.00 H new ATOM 0 HG SER A 66 2.220 -17.242 0.433 1.00 0.00 H new ATOM 1043 N GLY A 67 4.012 -16.608 -4.646 1.00 0.00 N ATOM 1044 CA GLY A 67 3.697 -16.244 -6.016 1.00 0.00 C ATOM 1045 C GLY A 67 2.813 -15.015 -6.102 1.00 0.00 C ATOM 1046 O GLY A 67 3.308 -13.899 -6.237 1.00 0.00 O ATOM 0 H GLY A 67 4.901 -16.246 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.623 -16.061 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.199 -17.081 -6.505 1.00 0.00 H new ATOM 1050 N PHE A 68 1.501 -15.219 -6.031 1.00 0.00 N ATOM 1051 CA PHE A 68 0.555 -14.111 -6.096 1.00 0.00 C ATOM 1052 C PHE A 68 0.762 -13.171 -4.916 1.00 0.00 C ATOM 1053 O PHE A 68 0.769 -11.949 -5.071 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.881 -14.638 -6.091 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.870 -13.743 -6.789 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.049 -12.422 -6.397 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.630 -14.232 -7.840 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.966 -11.614 -7.041 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.548 -13.427 -8.485 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.717 -12.117 -8.086 1.00 0.00 C ATOM 0 H PHE A 68 1.070 -16.138 -5.929 1.00 0.00 H new ATOM 0 HA PHE A 68 0.729 -13.563 -7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.898 -15.619 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.201 -14.778 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.465 -12.023 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.502 -15.256 -8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.096 -10.589 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.134 -13.823 -9.302 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.435 -11.486 -8.589 1.00 0.00 H new ATOM 1070 N VAL A 69 0.932 -13.754 -3.733 1.00 0.00 N ATOM 1071 CA VAL A 69 1.138 -12.978 -2.519 1.00 0.00 C ATOM 1072 C VAL A 69 2.518 -12.327 -2.509 1.00 0.00 C ATOM 1073 O VAL A 69 2.668 -11.179 -2.092 1.00 0.00 O ATOM 1074 CB VAL A 69 0.978 -13.849 -1.258 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.831 -12.981 -0.020 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.207 -14.791 -1.404 1.00 0.00 C ATOM 0 H VAL A 69 0.931 -14.764 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 69 0.375 -12.200 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 69 1.878 -14.452 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.719 -13.616 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.717 -12.357 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.049 -12.346 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.303 -15.397 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.118 -14.210 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.051 -15.442 -2.264 1.00 0.00 H new ATOM 1086 N ARG A 70 3.520 -13.065 -2.974 1.00 0.00 N ATOM 1087 CA ARG A 70 4.887 -12.555 -3.017 1.00 0.00 C ATOM 1088 C ARG A 70 5.012 -11.435 -4.044 1.00 0.00 C ATOM 1089 O ARG A 70 5.333 -10.296 -3.700 1.00 0.00 O ATOM 1090 CB ARG A 70 5.864 -13.681 -3.350 1.00 0.00 C ATOM 1091 CG ARG A 70 7.287 -13.401 -2.899 1.00 0.00 C ATOM 1092 CD ARG A 70 8.296 -13.729 -3.984 1.00 0.00 C ATOM 1093 NE ARG A 70 7.942 -14.944 -4.714 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.486 -15.294 -5.875 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.402 -14.522 -6.443 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.112 -16.419 -6.469 1.00 0.00 N ATOM 0 H ARG A 70 3.413 -14.016 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 70 5.132 -12.154 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.517 -14.602 -2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.859 -13.849 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.380 -12.351 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.508 -13.988 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.362 -12.894 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.283 -13.850 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 70 7.236 -15.559 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.692 -13.656 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.817 -14.794 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.407 -17.015 -6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.529 -16.688 -7.360 1.00 0.00 H new ATOM 1110 N SER A 71 4.762 -11.770 -5.308 1.00 0.00 N ATOM 1111 CA SER A 71 4.835 -10.795 -6.394 1.00 0.00 C ATOM 1112 C SER A 71 3.966 -9.582 -6.091 1.00 0.00 C ATOM 1113 O SER A 71 4.223 -8.483 -6.580 1.00 0.00 O ATOM 1114 CB SER A 71 4.394 -11.433 -7.711 1.00 0.00 C ATOM 1115 OG SER A 71 4.405 -10.485 -8.766 1.00 0.00 O ATOM 0 H SER A 71 4.507 -12.711 -5.606 1.00 0.00 H new ATOM 0 HA SER A 71 5.870 -10.467 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.057 -12.263 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.392 -11.847 -7.600 1.00 0.00 H new ATOM 0 HG SER A 71 4.121 -10.918 -9.598 1.00 0.00 H new ATOM 1121 N GLY A 72 2.931 -9.794 -5.282 1.00 0.00 N ATOM 1122 CA GLY A 72 2.042 -8.708 -4.919 1.00 0.00 C ATOM 1123 C GLY A 72 2.785 -7.564 -4.266 1.00 0.00 C ATOM 1124 O GLY A 72 2.580 -6.402 -4.614 1.00 0.00 O ATOM 0 H GLY A 72 2.694 -10.698 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.529 -8.346 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.276 -9.079 -4.238 1.00 0.00 H new ATOM 1128 N ALA A 73 3.646 -7.896 -3.312 1.00 0.00 N ATOM 1129 CA ALA A 73 4.432 -6.892 -2.612 1.00 0.00 C ATOM 1130 C ALA A 73 5.435 -6.232 -3.551 1.00 0.00 C ATOM 1131 O ALA A 73 5.803 -5.074 -3.363 1.00 0.00 O ATOM 1132 CB ALA A 73 5.154 -7.517 -1.431 1.00 0.00 C ATOM 0 H ALA A 73 3.817 -8.854 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 73 3.751 -6.124 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.738 -6.754 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.424 -7.941 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.818 -8.305 -1.786 1.00 0.00 H new ATOM 1138 N ALA A 74 5.870 -6.972 -4.568 1.00 0.00 N ATOM 1139 CA ALA A 74 6.834 -6.452 -5.527 1.00 0.00 C ATOM 1140 C ALA A 74 6.278 -5.227 -6.244 1.00 0.00 C ATOM 1141 O ALA A 74 6.977 -4.229 -6.419 1.00 0.00 O ATOM 1142 CB ALA A 74 7.216 -7.526 -6.533 1.00 0.00 C ATOM 0 H ALA A 74 5.570 -7.930 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 74 7.729 -6.152 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.937 -7.120 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.659 -8.373 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.326 -7.855 -7.069 1.00 0.00 H new ATOM 1148 N ARG A 75 5.017 -5.311 -6.653 1.00 0.00 N ATOM 1149 CA ARG A 75 4.368 -4.206 -7.347 1.00 0.00 C ATOM 1150 C ARG A 75 3.834 -3.179 -6.352 1.00 0.00 C ATOM 1151 O ARG A 75 3.884 -1.976 -6.608 1.00 0.00 O ATOM 1152 CB ARG A 75 3.232 -4.720 -8.234 1.00 0.00 C ATOM 1153 CG ARG A 75 2.246 -5.621 -7.509 1.00 0.00 C ATOM 1154 CD ARG A 75 0.994 -5.858 -8.337 1.00 0.00 C ATOM 1155 NE ARG A 75 1.299 -6.040 -9.754 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.586 -5.496 -10.738 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.471 -4.745 -10.460 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.930 -5.705 -12.002 1.00 0.00 N ATOM 0 H ARG A 75 4.426 -6.131 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 75 5.113 -3.721 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.694 -3.868 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.659 -5.267 -9.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.721 -6.576 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.973 -5.170 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.474 -6.739 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.316 -5.013 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 75 2.103 -6.616 -10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.740 -4.582 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.015 -4.330 -11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.741 -6.283 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.383 -5.288 -12.755 1.00 0.00 H new ATOM 1172 N SER A 76 3.327 -3.662 -5.219 1.00 0.00 N ATOM 1173 CA SER A 76 2.786 -2.786 -4.184 1.00 0.00 C ATOM 1174 C SER A 76 3.797 -1.716 -3.787 1.00 0.00 C ATOM 1175 O SER A 76 3.437 -0.557 -3.586 1.00 0.00 O ATOM 1176 CB SER A 76 2.374 -3.602 -2.958 1.00 0.00 C ATOM 1177 OG SER A 76 1.291 -4.464 -3.261 1.00 0.00 O ATOM 0 H SER A 76 3.280 -4.656 -4.995 1.00 0.00 H new ATOM 0 HA SER A 76 1.906 -2.289 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.222 -4.189 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.092 -2.930 -2.147 1.00 0.00 H new ATOM 0 HG SER A 76 1.624 -5.251 -3.740 1.00 0.00 H new ATOM 1183 N LEU A 77 5.063 -2.111 -3.668 1.00 0.00 N ATOM 1184 CA LEU A 77 6.122 -1.171 -3.313 1.00 0.00 C ATOM 1185 C LEU A 77 6.136 -0.004 -4.290 1.00 0.00 C ATOM 1186 O LEU A 77 5.992 1.152 -3.895 1.00 0.00 O ATOM 1187 CB LEU A 77 7.482 -1.866 -3.330 1.00 0.00 C ATOM 1188 CG LEU A 77 7.686 -2.936 -2.259 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.920 -3.758 -2.578 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.814 -2.304 -0.883 1.00 0.00 C ATOM 0 H LEU A 77 5.379 -3.070 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 77 5.927 -0.798 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.624 -2.324 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.259 -1.110 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 77 6.815 -3.591 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.059 -4.519 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.796 -4.240 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.794 -3.107 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.959 -3.085 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.669 -1.628 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.907 -1.746 -0.653 1.00 0.00 H new ATOM 1202 N GLU A 78 6.329 -0.318 -5.568 1.00 0.00 N ATOM 1203 CA GLU A 78 6.339 0.696 -6.616 1.00 0.00 C ATOM 1204 C GLU A 78 5.089 1.569 -6.538 1.00 0.00 C ATOM 1205 O GLU A 78 5.131 2.756 -6.859 1.00 0.00 O ATOM 1206 CB GLU A 78 6.427 0.039 -7.994 1.00 0.00 C ATOM 1207 CG GLU A 78 7.639 -0.861 -8.163 1.00 0.00 C ATOM 1208 CD GLU A 78 7.812 -1.343 -9.590 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.268 -0.544 -10.435 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.489 -2.519 -9.864 1.00 0.00 O ATOM 0 H GLU A 78 6.481 -1.269 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 78 7.215 1.327 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.524 -0.546 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.453 0.817 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.534 -0.321 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.543 -1.722 -7.502 1.00 0.00 H new ATOM 1217 N GLN A 79 3.975 0.973 -6.110 1.00 0.00 N ATOM 1218 CA GLN A 79 2.721 1.712 -5.988 1.00 0.00 C ATOM 1219 C GLN A 79 2.832 2.767 -4.897 1.00 0.00 C ATOM 1220 O GLN A 79 2.203 3.823 -4.971 1.00 0.00 O ATOM 1221 CB GLN A 79 1.553 0.770 -5.674 1.00 0.00 C ATOM 1222 CG GLN A 79 1.295 -0.281 -6.742 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.155 -0.727 -6.782 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.493 -1.744 -5.993 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.968 -0.159 -7.513 1.00 0.00 N flip ATOM 0 H GLN A 79 3.917 -0.010 -5.845 1.00 0.00 H new ATOM 0 HA GLN A 79 2.528 2.199 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.750 0.268 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.649 1.363 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.575 0.120 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.933 -1.146 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.668 0.617 -8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.941 -0.465 -7.528 1.00 0.00 H new ATOM 1234 N ILE A 80 3.639 2.471 -3.883 1.00 0.00 N ATOM 1235 CA ILE A 80 3.834 3.387 -2.768 1.00 0.00 C ATOM 1236 C ILE A 80 4.745 4.552 -3.154 1.00 0.00 C ATOM 1237 O ILE A 80 4.322 5.708 -3.129 1.00 0.00 O ATOM 1238 CB ILE A 80 4.428 2.653 -1.548 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.463 1.568 -1.063 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.727 3.641 -0.429 1.00 0.00 C ATOM 1241 CD1 ILE A 80 4.025 0.704 0.047 1.00 0.00 C ATOM 0 H ILE A 80 4.169 1.602 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 80 2.853 3.784 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 80 5.363 2.178 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.545 2.041 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.193 0.931 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.146 3.108 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.444 4.383 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.806 4.140 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.285 -0.041 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.927 0.202 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.268 1.329 0.906 1.00 0.00 H new ATOM 1253 N GLY A 81 5.985 4.238 -3.520 1.00 0.00 N ATOM 1254 CA GLY A 81 6.936 5.270 -3.910 1.00 0.00 C ATOM 1255 C GLY A 81 7.165 6.312 -2.827 1.00 0.00 C ATOM 1256 O GLY A 81 6.281 7.116 -2.533 1.00 0.00 O ATOM 0 H GLY A 81 6.350 3.286 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.888 4.802 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.576 5.765 -4.812 1.00 0.00 H new ATOM 1260 N GLY A 82 8.359 6.308 -2.240 1.00 0.00 N ATOM 1261 CA GLY A 82 8.675 7.267 -1.195 1.00 0.00 C ATOM 1262 C GLY A 82 9.687 6.735 -0.198 1.00 0.00 C ATOM 1263 O GLY A 82 10.351 5.731 -0.452 1.00 0.00 O ATOM 0 H GLY A 82 9.112 5.659 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.064 8.178 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.760 7.538 -0.668 1.00 0.00 H new ATOM 1267 N GLU A 83 9.810 7.417 0.938 1.00 0.00 N ATOM 1268 CA GLU A 83 10.745 7.005 1.981 1.00 0.00 C ATOM 1269 C GLU A 83 10.246 5.750 2.684 1.00 0.00 C ATOM 1270 O GLU A 83 11.025 4.852 3.005 1.00 0.00 O ATOM 1271 CB GLU A 83 10.942 8.128 3.000 1.00 0.00 C ATOM 1272 CG GLU A 83 11.655 9.347 2.438 1.00 0.00 C ATOM 1273 CD GLU A 83 10.862 10.036 1.345 1.00 0.00 C ATOM 1274 OE1 GLU A 83 9.980 10.856 1.678 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.124 9.759 0.156 1.00 0.00 O ATOM 0 H GLU A 83 9.275 8.256 1.159 1.00 0.00 H new ATOM 0 HA GLU A 83 11.703 6.786 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.968 8.433 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.512 7.743 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.846 10.055 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.625 9.045 2.043 1.00 0.00 H new ATOM 1282 N ARG A 84 8.943 5.702 2.933 1.00 0.00 N ATOM 1283 CA ARG A 84 8.335 4.555 3.594 1.00 0.00 C ATOM 1284 C ARG A 84 8.671 3.269 2.847 1.00 0.00 C ATOM 1285 O ARG A 84 9.129 2.293 3.441 1.00 0.00 O ATOM 1286 CB ARG A 84 6.810 4.736 3.712 1.00 0.00 C ATOM 1287 CG ARG A 84 6.073 4.869 2.380 1.00 0.00 C ATOM 1288 CD ARG A 84 6.331 6.215 1.714 1.00 0.00 C ATOM 1289 NE ARG A 84 5.285 6.561 0.755 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.167 7.760 0.192 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.032 8.723 0.484 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.184 7.998 -0.665 1.00 0.00 N ATOM 0 H ARG A 84 8.288 6.444 2.687 1.00 0.00 H new ATOM 0 HA ARG A 84 8.745 4.484 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.399 3.885 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.609 5.624 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.387 4.068 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.003 4.746 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.394 6.991 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.295 6.189 1.205 1.00 0.00 H new ATOM 0 HE ARG A 84 4.607 5.842 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.791 8.545 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.938 9.641 0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.517 7.261 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.095 8.918 -1.096 1.00 0.00 H new ATOM 1306 N VAL A 85 8.435 3.278 1.542 1.00 0.00 N ATOM 1307 CA VAL A 85 8.718 2.128 0.698 1.00 0.00 C ATOM 1308 C VAL A 85 10.220 1.927 0.531 1.00 0.00 C ATOM 1309 O VAL A 85 10.694 0.813 0.307 1.00 0.00 O ATOM 1310 CB VAL A 85 8.082 2.307 -0.692 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.824 3.360 -1.498 1.00 0.00 C ATOM 1312 CG2 VAL A 85 8.035 0.986 -1.436 1.00 0.00 C ATOM 0 H VAL A 85 8.045 4.077 1.043 1.00 0.00 H new ATOM 0 HA VAL A 85 8.292 1.252 1.187 1.00 0.00 H new ATOM 0 HB VAL A 85 7.058 2.653 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.355 3.467 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.788 4.314 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.863 3.055 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.582 1.136 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.048 0.602 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.442 0.269 -0.868 1.00 0.00 H new ATOM 1322 N ARG A 86 10.957 3.024 0.646 1.00 0.00 N ATOM 1323 CA ARG A 86 12.409 3.009 0.487 1.00 0.00 C ATOM 1324 C ARG A 86 13.082 2.068 1.483 1.00 0.00 C ATOM 1325 O ARG A 86 14.131 1.493 1.192 1.00 0.00 O ATOM 1326 CB ARG A 86 12.959 4.431 0.639 1.00 0.00 C ATOM 1327 CG ARG A 86 14.477 4.508 0.698 1.00 0.00 C ATOM 1328 CD ARG A 86 15.013 5.633 -0.172 1.00 0.00 C ATOM 1329 NE ARG A 86 14.427 6.922 0.179 1.00 0.00 N ATOM 1330 CZ ARG A 86 14.601 8.031 -0.533 1.00 0.00 C ATOM 1331 NH1 ARG A 86 15.349 8.008 -1.629 1.00 0.00 N ATOM 1332 NH2 ARG A 86 14.027 9.163 -0.150 1.00 0.00 N ATOM 0 H ARG A 86 10.570 3.945 0.851 1.00 0.00 H new ATOM 0 HA ARG A 86 12.634 2.635 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.608 5.036 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.548 4.873 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.795 4.662 1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.903 3.560 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.097 5.687 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.804 5.413 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 86 13.851 6.975 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.791 7.138 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.481 8.860 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.451 9.184 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.161 10.013 -0.697 1.00 0.00 H new ATOM 1346 N ALA A 87 12.478 1.912 2.652 1.00 0.00 N ATOM 1347 CA ALA A 87 13.035 1.045 3.684 1.00 0.00 C ATOM 1348 C ALA A 87 12.604 -0.408 3.497 1.00 0.00 C ATOM 1349 O ALA A 87 13.273 -1.327 3.967 1.00 0.00 O ATOM 1350 CB ALA A 87 12.634 1.548 5.062 1.00 0.00 C ATOM 0 H ALA A 87 11.605 2.372 2.911 1.00 0.00 H new ATOM 0 HA ALA A 87 14.121 1.076 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.055 0.893 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.012 2.561 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.547 1.551 5.146 1.00 0.00 H new ATOM 1356 N ALA A 88 11.484 -0.609 2.808 1.00 0.00 N ATOM 1357 CA ALA A 88 10.959 -1.949 2.573 1.00 0.00 C ATOM 1358 C ALA A 88 11.817 -2.716 1.576 1.00 0.00 C ATOM 1359 O ALA A 88 12.026 -3.920 1.721 1.00 0.00 O ATOM 1360 CB ALA A 88 9.522 -1.871 2.082 1.00 0.00 C ATOM 0 H ALA A 88 10.923 0.140 2.403 1.00 0.00 H new ATOM 0 HA ALA A 88 10.984 -2.490 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.141 -2.878 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.908 -1.374 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.486 -1.305 1.151 1.00 0.00 H new ATOM 1366 N MET A 89 12.314 -2.011 0.565 1.00 0.00 N ATOM 1367 CA MET A 89 13.136 -2.629 -0.457 1.00 0.00 C ATOM 1368 C MET A 89 14.512 -2.980 0.102 1.00 0.00 C ATOM 1369 O MET A 89 15.089 -4.010 -0.240 1.00 0.00 O ATOM 1370 CB MET A 89 13.262 -1.684 -1.653 1.00 0.00 C ATOM 1371 CG MET A 89 14.179 -0.505 -1.395 1.00 0.00 C ATOM 1372 SD MET A 89 13.798 0.928 -2.418 1.00 0.00 S ATOM 1373 CE MET A 89 14.992 2.103 -1.789 1.00 0.00 C ATOM 0 H MET A 89 12.159 -1.011 0.436 1.00 0.00 H new ATOM 0 HA MET A 89 12.662 -3.554 -0.786 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.635 -2.244 -2.511 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.272 -1.313 -1.920 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.110 -0.222 -0.345 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.210 -0.809 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.477 3.008 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.522 1.666 -0.943 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.706 2.352 -2.574 1.00 0.00 H new ATOM 1383 N GLU A 90 15.028 -2.119 0.976 1.00 0.00 N ATOM 1384 CA GLU A 90 16.331 -2.344 1.589 1.00 0.00 C ATOM 1385 C GLU A 90 16.276 -3.536 2.538 1.00 0.00 C ATOM 1386 O GLU A 90 17.161 -4.392 2.525 1.00 0.00 O ATOM 1387 CB GLU A 90 16.790 -1.096 2.342 1.00 0.00 C ATOM 1388 CG GLU A 90 17.016 0.108 1.442 1.00 0.00 C ATOM 1389 CD GLU A 90 18.145 -0.108 0.453 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.882 -0.658 -0.637 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.291 0.272 0.768 1.00 0.00 O ATOM 0 H GLU A 90 14.563 -1.261 1.274 1.00 0.00 H new ATOM 0 HA GLU A 90 17.049 -2.560 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.044 -0.841 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.715 -1.321 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.098 0.328 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.238 0.980 2.057 1.00 0.00 H new ATOM 1398 N LYS A 91 15.231 -3.585 3.360 1.00 0.00 N ATOM 1399 CA LYS A 91 15.059 -4.678 4.308 1.00 0.00 C ATOM 1400 C LYS A 91 14.944 -6.010 3.579 1.00 0.00 C ATOM 1401 O LYS A 91 15.246 -7.063 4.143 1.00 0.00 O ATOM 1402 CB LYS A 91 13.822 -4.448 5.181 1.00 0.00 C ATOM 1403 CG LYS A 91 13.986 -3.327 6.196 1.00 0.00 C ATOM 1404 CD LYS A 91 15.053 -3.658 7.228 1.00 0.00 C ATOM 1405 CE LYS A 91 15.192 -2.552 8.261 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.898 -2.253 8.933 1.00 0.00 N ATOM 0 H LYS A 91 14.493 -2.881 3.388 1.00 0.00 H new ATOM 0 HA LYS A 91 15.939 -4.707 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.972 -4.221 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.585 -5.372 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.252 -2.404 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.035 -3.149 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.800 -4.593 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.009 -3.812 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.930 -2.844 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.567 -1.650 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.066 -2.068 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.465 -1.415 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.258 -3.067 8.832 1.00 0.00 H new ATOM 1420 N LEU A 92 14.507 -5.961 2.325 1.00 0.00 N ATOM 1421 CA LEU A 92 14.369 -7.163 1.528 1.00 0.00 C ATOM 1422 C LEU A 92 15.695 -7.485 0.851 1.00 0.00 C ATOM 1423 O LEU A 92 16.045 -8.647 0.674 1.00 0.00 O ATOM 1424 CB LEU A 92 13.251 -6.981 0.496 1.00 0.00 C ATOM 1425 CG LEU A 92 13.526 -7.566 -0.891 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.468 -9.086 -0.858 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.532 -7.017 -1.902 1.00 0.00 C ATOM 0 H LEU A 92 14.244 -5.101 1.844 1.00 0.00 H new ATOM 0 HA LEU A 92 14.101 -8.000 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.342 -7.437 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.052 -5.915 0.387 1.00 0.00 H new ATOM 0 HG LEU A 92 14.531 -7.271 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.667 -9.479 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.218 -9.464 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.478 -9.405 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.740 -7.442 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.520 -7.283 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.623 -5.932 -1.949 1.00 0.00 H new ATOM 1439 N ALA A 93 16.434 -6.441 0.489 1.00 0.00 N ATOM 1440 CA ALA A 93 17.725 -6.609 -0.164 1.00 0.00 C ATOM 1441 C ALA A 93 18.718 -7.311 0.757 1.00 0.00 C ATOM 1442 O ALA A 93 19.759 -7.792 0.311 1.00 0.00 O ATOM 1443 CB ALA A 93 18.271 -5.261 -0.611 1.00 0.00 C ATOM 0 H ALA A 93 16.160 -5.470 0.637 1.00 0.00 H new ATOM 0 HA ALA A 93 17.582 -7.237 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.236 -5.403 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.575 -4.801 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.393 -4.612 0.256 1.00 0.00 H new ATOM 1449 N GLU A 94 18.386 -7.364 2.043 1.00 0.00 N ATOM 1450 CA GLU A 94 19.241 -8.015 3.028 1.00 0.00 C ATOM 1451 C GLU A 94 18.959 -9.514 3.052 1.00 0.00 C ATOM 1452 O GLU A 94 19.844 -10.324 3.327 1.00 0.00 O ATOM 1453 CB GLU A 94 19.010 -7.406 4.414 1.00 0.00 C ATOM 1454 CG GLU A 94 20.134 -7.678 5.403 1.00 0.00 C ATOM 1455 CD GLU A 94 20.179 -9.122 5.863 1.00 0.00 C ATOM 1456 OE1 GLU A 94 19.176 -9.594 6.436 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.218 -9.782 5.646 1.00 0.00 O ATOM 0 H GLU A 94 17.530 -6.963 2.427 1.00 0.00 H new ATOM 0 HA GLU A 94 20.284 -7.859 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.884 -6.328 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.078 -7.798 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.087 -7.419 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.013 -7.029 6.270 1.00 0.00 H new ATOM 1464 N THR A 95 17.715 -9.871 2.747 1.00 0.00 N ATOM 1465 CA THR A 95 17.296 -11.267 2.715 1.00 0.00 C ATOM 1466 C THR A 95 16.806 -11.615 1.319 1.00 0.00 C ATOM 1467 O THR A 95 16.060 -12.576 1.123 1.00 0.00 O ATOM 1468 CB THR A 95 16.172 -11.548 3.730 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.132 -10.572 3.595 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.707 -11.535 5.155 1.00 0.00 C ATOM 0 H THR A 95 16.976 -9.207 2.517 1.00 0.00 H new ATOM 0 HA THR A 95 18.156 -11.881 2.982 1.00 0.00 H new ATOM 0 HB THR A 95 15.768 -12.539 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.421 -10.760 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.893 -11.736 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.474 -12.302 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.138 -10.558 5.373 1.00 0.00 H new ATOM 1478 N GLY A 96 17.250 -10.817 0.355 1.00 0.00 N ATOM 1479 CA GLY A 96 16.857 -11.000 -1.025 1.00 0.00 C ATOM 1480 C GLY A 96 17.039 -12.416 -1.524 1.00 0.00 C ATOM 1481 O GLY A 96 18.118 -12.996 -1.409 1.00 0.00 O ATOM 0 H GLY A 96 17.886 -10.035 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.811 -10.716 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.439 -10.325 -1.652 1.00 0.00 H new ATOM 1485 N THR A 97 15.967 -12.967 -2.077 1.00 0.00 N ATOM 1486 CA THR A 97 15.988 -14.316 -2.624 1.00 0.00 C ATOM 1487 C THR A 97 15.108 -14.409 -3.868 1.00 0.00 C ATOM 1488 O THR A 97 13.953 -13.986 -3.856 1.00 0.00 O ATOM 1489 CB THR A 97 15.516 -15.353 -1.586 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.452 -16.653 -2.185 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.152 -14.979 -1.024 1.00 0.00 C ATOM 0 H THR A 97 15.066 -12.496 -2.159 1.00 0.00 H new ATOM 0 HA THR A 97 17.021 -14.538 -2.894 1.00 0.00 H new ATOM 0 HB THR A 97 16.235 -15.366 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.153 -17.306 -1.518 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.842 -15.727 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.212 -14.004 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.423 -14.938 -1.834 1.00 0.00 H new ATOM 1499 N GLY A 98 15.662 -14.967 -4.941 1.00 0.00 N ATOM 1500 CA GLY A 98 14.915 -15.103 -6.179 1.00 0.00 C ATOM 1501 C GLY A 98 14.413 -13.773 -6.711 1.00 0.00 C ATOM 1502 O GLY A 98 15.015 -12.729 -6.460 1.00 0.00 O ATOM 0 H GLY A 98 16.616 -15.328 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.548 -15.574 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.067 -15.767 -6.015 1.00 0.00 H new ATOM 1506 N PHE A 99 13.306 -13.817 -7.449 1.00 0.00 N ATOM 1507 CA PHE A 99 12.708 -12.615 -8.028 1.00 0.00 C ATOM 1508 C PHE A 99 12.477 -11.541 -6.965 1.00 0.00 C ATOM 1509 O PHE A 99 12.572 -10.348 -7.248 1.00 0.00 O ATOM 1510 CB PHE A 99 11.384 -12.970 -8.715 1.00 0.00 C ATOM 1511 CG PHE A 99 10.534 -11.778 -9.061 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.793 -11.029 -10.198 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.473 -11.410 -8.248 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.011 -9.934 -10.516 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.689 -10.317 -8.561 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.957 -9.578 -9.696 1.00 0.00 C ATOM 0 H PHE A 99 12.802 -14.678 -7.661 1.00 0.00 H new ATOM 0 HA PHE A 99 13.402 -12.212 -8.766 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.598 -13.527 -9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.814 -13.632 -8.063 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.615 -11.304 -10.843 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.257 -11.985 -7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.224 -9.358 -11.404 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.866 -10.040 -7.918 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.344 -8.723 -9.943 1.00 0.00 H new ATOM 1526 N ALA A 100 12.173 -11.975 -5.746 1.00 0.00 N ATOM 1527 CA ALA A 100 11.919 -11.052 -4.642 1.00 0.00 C ATOM 1528 C ALA A 100 13.050 -10.041 -4.479 1.00 0.00 C ATOM 1529 O ALA A 100 12.805 -8.865 -4.224 1.00 0.00 O ATOM 1530 CB ALA A 100 11.715 -11.826 -3.350 1.00 0.00 C ATOM 0 H ALA A 100 12.096 -12.961 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 100 11.011 -10.496 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.526 -11.128 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.863 -12.497 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.609 -12.409 -3.130 1.00 0.00 H new ATOM 1536 N ARG A 101 14.285 -10.503 -4.631 1.00 0.00 N ATOM 1537 CA ARG A 101 15.449 -9.632 -4.490 1.00 0.00 C ATOM 1538 C ARG A 101 15.574 -8.671 -5.661 1.00 0.00 C ATOM 1539 O ARG A 101 15.697 -7.460 -5.469 1.00 0.00 O ATOM 1540 CB ARG A 101 16.715 -10.465 -4.398 1.00 0.00 C ATOM 1541 CG ARG A 101 17.975 -9.630 -4.239 1.00 0.00 C ATOM 1542 CD ARG A 101 19.179 -10.495 -3.914 1.00 0.00 C ATOM 1543 NE ARG A 101 19.390 -11.535 -4.917 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.587 -12.008 -5.254 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.679 -11.537 -4.666 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.692 -12.951 -6.179 1.00 0.00 N ATOM 0 H ARG A 101 14.508 -11.474 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 101 15.314 -9.052 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.631 -11.148 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.804 -11.078 -5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.163 -9.074 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.829 -8.896 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.069 -9.869 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.041 -10.957 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 101 18.571 -11.922 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.602 -10.811 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.596 -11.901 -4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.855 -13.315 -6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.610 -13.313 -6.437 1.00 0.00 H new ATOM 1560 N LYS A 102 15.560 -9.221 -6.875 1.00 0.00 N ATOM 1561 CA LYS A 102 15.676 -8.420 -8.089 1.00 0.00 C ATOM 1562 C LYS A 102 14.767 -7.202 -8.013 1.00 0.00 C ATOM 1563 O LYS A 102 15.024 -6.174 -8.638 1.00 0.00 O ATOM 1564 CB LYS A 102 15.309 -9.264 -9.309 1.00 0.00 C ATOM 1565 CG LYS A 102 15.587 -8.573 -10.633 1.00 0.00 C ATOM 1566 CD LYS A 102 17.068 -8.595 -10.969 1.00 0.00 C ATOM 1567 CE LYS A 102 17.317 -8.160 -12.403 1.00 0.00 C ATOM 1568 NZ LYS A 102 18.768 -8.157 -12.738 1.00 0.00 N ATOM 0 H LYS A 102 15.469 -10.223 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 102 16.708 -8.081 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.866 -10.200 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.251 -9.521 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.025 -9.065 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.238 -7.541 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.607 -7.936 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.462 -9.600 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.789 -8.829 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.907 -7.162 -12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.896 -7.855 -13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.269 -7.499 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.154 -9.115 -12.617 1.00 0.00 H new ATOM 1582 N VAL A 103 13.704 -7.338 -7.236 1.00 0.00 N ATOM 1583 CA VAL A 103 12.738 -6.272 -7.044 1.00 0.00 C ATOM 1584 C VAL A 103 13.350 -5.092 -6.290 1.00 0.00 C ATOM 1585 O VAL A 103 13.363 -3.968 -6.786 1.00 0.00 O ATOM 1586 CB VAL A 103 11.522 -6.802 -6.260 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.635 -5.659 -5.785 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.728 -7.779 -7.110 1.00 0.00 C ATOM 0 H VAL A 103 13.488 -8.192 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 103 12.425 -5.925 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 103 11.890 -7.328 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.785 -6.063 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.209 -5.000 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.275 -5.095 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.873 -8.144 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.377 -7.276 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.364 -8.619 -7.388 1.00 0.00 H new ATOM 1598 N ALA A 104 13.856 -5.365 -5.092 1.00 0.00 N ATOM 1599 CA ALA A 104 14.459 -4.336 -4.243 1.00 0.00 C ATOM 1600 C ALA A 104 15.572 -3.561 -4.946 1.00 0.00 C ATOM 1601 O ALA A 104 15.473 -2.350 -5.139 1.00 0.00 O ATOM 1602 CB ALA A 104 15.012 -4.974 -2.979 1.00 0.00 C ATOM 0 H ALA A 104 13.861 -6.299 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 104 13.671 -3.623 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.460 -4.205 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.204 -5.463 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.769 -5.712 -3.245 1.00 0.00 H new ATOM 1608 N VAL A 105 16.626 -4.275 -5.325 1.00 0.00 N ATOM 1609 CA VAL A 105 17.795 -3.672 -5.966 1.00 0.00 C ATOM 1610 C VAL A 105 17.442 -2.841 -7.197 1.00 0.00 C ATOM 1611 O VAL A 105 17.923 -1.719 -7.353 1.00 0.00 O ATOM 1612 CB VAL A 105 18.824 -4.755 -6.355 1.00 0.00 C ATOM 1613 CG1 VAL A 105 18.213 -5.773 -7.306 1.00 0.00 C ATOM 1614 CG2 VAL A 105 20.069 -4.124 -6.962 1.00 0.00 C ATOM 0 H VAL A 105 16.697 -5.285 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 105 18.227 -2.995 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 105 19.118 -5.281 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 105 18.960 -6.524 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.363 -6.256 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.878 -5.269 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.780 -4.906 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.794 -3.564 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 105 20.526 -3.450 -6.237 1.00 0.00 H new ATOM 1624 N ASN A 106 16.615 -3.391 -8.070 1.00 0.00 N ATOM 1625 CA ASN A 106 16.223 -2.691 -9.290 1.00 0.00 C ATOM 1626 C ASN A 106 15.295 -1.513 -9.003 1.00 0.00 C ATOM 1627 O ASN A 106 15.368 -0.484 -9.674 1.00 0.00 O ATOM 1628 CB ASN A 106 15.539 -3.655 -10.261 1.00 0.00 C ATOM 1629 CG ASN A 106 16.519 -4.568 -10.976 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.660 -4.828 -10.349 1.00 0.00 O flip ATOM 1631 ND2 ASN A 106 16.254 -5.030 -12.085 1.00 0.00 N flip ATOM 0 H ASN A 106 16.201 -4.317 -7.961 1.00 0.00 H new ATOM 0 HA ASN A 106 17.135 -2.299 -9.741 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.817 -4.262 -9.714 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.979 -3.082 -11.000 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.365 -4.805 -12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.923 -5.638 -12.557 1.00 0.00 H new ATOM 1638 N TYR A 107 14.424 -1.661 -8.009 1.00 0.00 N ATOM 1639 CA TYR A 107 13.474 -0.628 -7.674 1.00 0.00 C ATOM 1640 C TYR A 107 14.175 0.630 -7.168 1.00 0.00 C ATOM 1641 O TYR A 107 13.646 1.735 -7.281 1.00 0.00 O ATOM 1642 CB TYR A 107 12.500 -1.179 -6.647 1.00 0.00 C ATOM 1643 CG TYR A 107 11.580 -0.151 -6.069 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.693 0.563 -6.859 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.613 0.101 -4.722 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.857 1.510 -6.304 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.787 1.045 -4.149 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.907 1.749 -4.947 1.00 0.00 C ATOM 1649 OH TYR A 107 9.077 2.693 -4.390 1.00 0.00 O ATOM 0 H TYR A 107 14.364 -2.494 -7.424 1.00 0.00 H new ATOM 0 HA TYR A 107 12.925 -0.334 -8.568 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.904 -1.965 -7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.064 -1.643 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.656 0.376 -7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.300 -0.451 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.168 2.060 -6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.828 1.232 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 107 9.611 3.451 -4.072 1.00 0.00 H new ATOM 1659 N LEU A 108 15.369 0.448 -6.609 1.00 0.00 N ATOM 1660 CA LEU A 108 16.160 1.560 -6.085 1.00 0.00 C ATOM 1661 C LEU A 108 16.276 2.689 -7.108 1.00 0.00 C ATOM 1662 O LEU A 108 16.454 3.851 -6.747 1.00 0.00 O ATOM 1663 CB LEU A 108 17.566 1.083 -5.712 1.00 0.00 C ATOM 1664 CG LEU A 108 17.636 -0.174 -4.844 1.00 0.00 C ATOM 1665 CD1 LEU A 108 19.084 -0.565 -4.597 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.915 0.043 -3.525 1.00 0.00 C ATOM 0 H LEU A 108 15.813 -0.465 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 108 15.648 1.936 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.122 0.898 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.076 1.892 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 108 17.140 -0.986 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 108 19.118 -1.461 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.575 -0.763 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.599 0.249 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.977 -0.864 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.381 0.868 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.869 0.280 -3.717 1.00 0.00 H new ATOM 1678 N GLU A 109 16.177 2.332 -8.385 1.00 0.00 N ATOM 1679 CA GLU A 109 16.282 3.304 -9.471 1.00 0.00 C ATOM 1680 C GLU A 109 15.227 4.408 -9.364 1.00 0.00 C ATOM 1681 O GLU A 109 15.249 5.366 -10.136 1.00 0.00 O ATOM 1682 CB GLU A 109 16.159 2.595 -10.821 1.00 0.00 C ATOM 1683 CG GLU A 109 17.280 1.606 -11.093 1.00 0.00 C ATOM 1684 CD GLU A 109 17.134 0.916 -12.435 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.666 1.443 -13.435 1.00 0.00 O ATOM 1686 OE2 GLU A 109 16.490 -0.152 -12.486 1.00 0.00 O ATOM 0 H GLU A 109 16.024 1.372 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 109 17.260 3.778 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.205 2.070 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.145 3.342 -11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.236 2.128 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.298 0.856 -10.303 1.00 0.00 H new ATOM 1693 N THR A 110 14.306 4.273 -8.411 1.00 0.00 N ATOM 1694 CA THR A 110 13.256 5.271 -8.224 1.00 0.00 C ATOM 1695 C THR A 110 13.387 5.979 -6.878 1.00 0.00 C ATOM 1696 O THR A 110 13.805 7.136 -6.817 1.00 0.00 O ATOM 1697 CB THR A 110 11.852 4.647 -8.332 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.759 3.495 -7.487 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.541 4.256 -9.769 1.00 0.00 C ATOM 0 H THR A 110 14.266 3.488 -7.761 1.00 0.00 H new ATOM 0 HA THR A 110 13.381 6.001 -9.023 1.00 0.00 H new ATOM 0 HB THR A 110 11.124 5.391 -8.010 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.391 2.812 -7.794 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.544 3.818 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.581 5.141 -10.404 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.275 3.528 -10.115 1.00 0.00 H new ATOM 1707 N HIS A 111 13.030 5.282 -5.801 1.00 0.00 N ATOM 1708 CA HIS A 111 13.109 5.857 -4.460 1.00 0.00 C ATOM 1709 C HIS A 111 13.819 4.909 -3.503 1.00 0.00 C ATOM 1710 O HIS A 111 13.121 4.145 -2.803 1.00 0.00 O ATOM 1711 CB HIS A 111 11.707 6.174 -3.930 1.00 0.00 C ATOM 1712 CG HIS A 111 10.800 6.771 -4.961 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.833 6.043 -5.621 1.00 0.00 N ATOM 1714 CD2 HIS A 111 10.720 8.031 -5.450 1.00 0.00 C ATOM 1715 CE1 HIS A 111 9.199 6.829 -6.472 1.00 0.00 C ATOM 1716 NE2 HIS A 111 9.717 8.040 -6.388 1.00 0.00 N ATOM 1717 OXT HIS A 111 15.067 4.937 -3.460 1.00 0.00 O ATOM 0 H HIS A 111 12.685 4.323 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 111 13.683 6.781 -4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.256 5.258 -3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.792 6.863 -3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 111 11.331 8.872 -5.157 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.393 6.531 -7.126 1.00 0.00 H new ATOM 0 HE2 HIS A 111 9.421 8.851 -6.931 1.00 0.00 H new TER 1726 HIS A 111