USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0.37) USER MOD Set 2.1: A 48 CYS SG : rot 78:sc= 1.66 USER MOD Set 2.2: A 54 SER OG : rot 73:sc= 1.22 USER MOD Single : A 1 ALA N :NH3+ 171:sc= 1.22 (180deg=1.1) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.31) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.000205 K(o=-0.0002,f=-1.5) USER MOD Single : A 15 GLN : amide:sc= 0.97 K(o=0.97,f=-0.061) USER MOD Single : A 17 HIS : no HE2:sc= 0.0906 K(o=0.091,f=-0.65) USER MOD Single : A 19 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.63) USER MOD Single : A 23 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 1.05 K(o=1.1,f=-0.013) USER MOD Single : A 43 THR OG1 : rot 95:sc= 1.08 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.2) USER MOD Single : A 47 TYR OH : rot 49:sc= 0.196 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.8!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.27) USER MOD Single : A 62 SER OG : rot 88:sc= 1.3 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 175:sc= 1.18 USER MOD Single : A 71 ASN : amide:sc= 0.612 K(o=0.61,f=0.11) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.85 (180deg=1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.843 0.512 -2.414 1.00 0.00 N ATOM 2 CA ALA A 1 3.400 0.309 -2.175 1.00 0.00 C ATOM 3 C ALA A 1 2.635 0.544 -3.487 1.00 0.00 C ATOM 4 O ALA A 1 3.217 0.451 -4.572 1.00 0.00 O ATOM 5 CB ALA A 1 2.907 1.203 -1.019 1.00 0.00 C ATOM 0 H1 ALA A 1 5.350 0.505 -1.506 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.206 -0.253 -3.018 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.991 1.427 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 1 3.211 -0.718 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.841 1.037 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.453 0.955 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.078 2.250 -1.270 1.00 0.00 H new ATOM 13 N GLU A 2 1.330 0.821 -3.419 1.00 0.00 N ATOM 14 CA GLU A 2 0.490 1.185 -4.553 1.00 0.00 C ATOM 15 C GLU A 2 -0.613 2.106 -4.022 1.00 0.00 C ATOM 16 O GLU A 2 -1.056 1.938 -2.882 1.00 0.00 O ATOM 17 CB GLU A 2 -0.085 -0.096 -5.191 1.00 0.00 C ATOM 18 CG GLU A 2 -0.997 0.166 -6.399 1.00 0.00 C ATOM 19 CD GLU A 2 -1.489 -1.150 -7.025 1.00 0.00 C ATOM 20 OE1 GLU A 2 -2.525 -1.693 -6.579 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.853 -1.632 -7.988 1.00 0.00 O ATOM 0 H GLU A 2 0.815 0.796 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 2 1.052 1.707 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.740 -0.737 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.647 -0.645 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.853 0.765 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.456 0.747 -7.146 1.00 0.00 H new ATOM 28 N HIS A 3 -1.075 3.047 -4.850 1.00 0.00 N ATOM 29 CA HIS A 3 -2.227 3.897 -4.575 1.00 0.00 C ATOM 30 C HIS A 3 -3.095 3.917 -5.829 1.00 0.00 C ATOM 31 O HIS A 3 -2.593 4.186 -6.924 1.00 0.00 O ATOM 32 CB HIS A 3 -1.775 5.318 -4.200 1.00 0.00 C ATOM 33 CG HIS A 3 -1.162 5.408 -2.823 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.818 5.746 -1.659 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.138 5.138 -2.489 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.934 5.677 -0.649 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.277 5.302 -1.103 1.00 0.00 N ATOM 0 H HIS A 3 -0.643 3.241 -5.754 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.794 3.507 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.050 5.667 -4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.632 5.990 -4.253 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.921 4.849 -3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.163 5.893 0.384 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.124 5.165 -0.551 1.00 0.00 H new ATOM 45 N TRP A 4 -4.388 3.629 -5.670 1.00 0.00 N ATOM 46 CA TRP A 4 -5.379 3.811 -6.721 1.00 0.00 C ATOM 47 C TRP A 4 -5.891 5.234 -6.581 1.00 0.00 C ATOM 48 O TRP A 4 -6.381 5.604 -5.512 1.00 0.00 O ATOM 49 CB TRP A 4 -6.516 2.787 -6.589 1.00 0.00 C ATOM 50 CG TRP A 4 -6.135 1.409 -7.044 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.170 0.639 -6.493 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.637 0.644 -8.186 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.019 -0.522 -7.217 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.905 -0.581 -8.271 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.626 0.868 -9.170 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.144 -1.530 -9.277 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.878 -0.081 -10.179 1.00 0.00 C ATOM 58 CH2 TRP A 4 -7.141 -1.278 -10.234 1.00 0.00 C ATOM 0 H TRP A 4 -4.775 3.261 -4.801 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.944 3.652 -7.708 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.835 2.742 -5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.372 3.129 -7.170 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.600 0.897 -5.613 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.336 -1.248 -7.000 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.199 1.783 -9.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.568 -2.443 -9.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.643 0.111 -10.917 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.341 -2.002 -11.010 1.00 0.00 H new ATOM 69 N ILE A 5 -5.770 6.028 -7.641 1.00 0.00 N ATOM 70 CA ILE A 5 -6.087 7.446 -7.618 1.00 0.00 C ATOM 71 C ILE A 5 -7.028 7.684 -8.793 1.00 0.00 C ATOM 72 O ILE A 5 -6.653 7.495 -9.952 1.00 0.00 O ATOM 73 CB ILE A 5 -4.803 8.317 -7.673 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.831 7.981 -6.514 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.181 9.811 -7.641 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.565 8.840 -6.463 1.00 0.00 C ATOM 0 H ILE A 5 -5.445 5.697 -8.549 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.572 7.739 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.286 8.095 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.364 8.090 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.539 6.934 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.275 10.416 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.811 10.045 -8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.724 10.029 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.949 8.530 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.003 8.715 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.841 9.888 -6.345 1.00 0.00 H new ATOM 88 N ASP A 6 -8.263 8.068 -8.491 1.00 0.00 N ATOM 89 CA ASP A 6 -9.179 8.569 -9.497 1.00 0.00 C ATOM 90 C ASP A 6 -8.648 9.929 -9.936 1.00 0.00 C ATOM 91 O ASP A 6 -8.394 10.780 -9.076 1.00 0.00 O ATOM 92 CB ASP A 6 -10.566 8.733 -8.879 1.00 0.00 C ATOM 93 CG ASP A 6 -11.648 9.018 -9.916 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.372 9.393 -11.078 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.823 8.831 -9.550 1.00 0.00 O ATOM 0 H ASP A 6 -8.651 8.040 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.254 7.886 -10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.824 7.826 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.541 9.547 -8.154 1.00 0.00 H new ATOM 100 N VAL A 7 -8.496 10.164 -11.235 1.00 0.00 N ATOM 101 CA VAL A 7 -8.002 11.429 -11.768 1.00 0.00 C ATOM 102 C VAL A 7 -9.042 12.107 -12.670 1.00 0.00 C ATOM 103 O VAL A 7 -8.734 13.127 -13.292 1.00 0.00 O ATOM 104 CB VAL A 7 -6.607 11.259 -12.411 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.569 10.646 -11.456 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.623 10.394 -13.673 1.00 0.00 C ATOM 0 H VAL A 7 -8.714 9.475 -11.955 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.855 12.123 -10.940 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.322 12.280 -12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.612 10.554 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.452 11.289 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.906 9.660 -11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.612 10.316 -14.073 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.994 9.399 -13.427 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.274 10.850 -14.419 1.00 0.00 H new ATOM 116 N ARG A 8 -10.278 11.588 -12.744 1.00 0.00 N ATOM 117 CA ARG A 8 -11.364 12.314 -13.405 1.00 0.00 C ATOM 118 C ARG A 8 -11.690 13.587 -12.636 1.00 0.00 C ATOM 119 O ARG A 8 -11.309 13.725 -11.468 1.00 0.00 O ATOM 120 CB ARG A 8 -12.572 11.403 -13.651 1.00 0.00 C ATOM 121 CG ARG A 8 -13.592 11.322 -12.523 1.00 0.00 C ATOM 122 CD ARG A 8 -14.567 10.185 -12.838 1.00 0.00 C ATOM 123 NE ARG A 8 -14.188 8.983 -12.103 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.060 8.079 -11.659 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.288 7.962 -12.156 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.697 7.302 -10.664 1.00 0.00 N ATOM 0 H ARG A 8 -10.544 10.682 -12.359 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.040 12.630 -14.396 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.082 11.746 -14.551 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.207 10.397 -13.856 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.092 11.141 -11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.128 12.266 -12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.581 10.480 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.567 9.981 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.197 8.826 -11.918 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.595 8.579 -12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.923 7.255 -11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.769 7.400 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.343 6.601 -10.303 1.00 0.00 H new ATOM 140 N VAL A 9 -12.394 14.507 -13.300 1.00 0.00 N ATOM 141 CA VAL A 9 -12.783 15.785 -12.713 1.00 0.00 C ATOM 142 C VAL A 9 -13.549 15.524 -11.398 1.00 0.00 C ATOM 143 O VAL A 9 -14.269 14.522 -11.310 1.00 0.00 O ATOM 144 CB VAL A 9 -13.538 16.659 -13.741 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.620 17.008 -14.924 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.822 16.017 -14.279 1.00 0.00 C ATOM 0 H VAL A 9 -12.710 14.383 -14.262 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.904 16.373 -12.449 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.832 17.558 -13.200 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.166 17.624 -15.639 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.752 17.558 -14.561 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.291 16.091 -15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.294 16.691 -14.994 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.579 15.076 -14.773 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.507 15.827 -13.453 1.00 0.00 H new ATOM 156 N PRO A 10 -13.441 16.388 -10.373 1.00 0.00 N ATOM 157 CA PRO A 10 -13.911 16.057 -9.029 1.00 0.00 C ATOM 158 C PRO A 10 -15.412 15.755 -8.969 1.00 0.00 C ATOM 159 O PRO A 10 -15.824 14.810 -8.297 1.00 0.00 O ATOM 160 CB PRO A 10 -13.498 17.231 -8.135 1.00 0.00 C ATOM 161 CG PRO A 10 -13.241 18.387 -9.103 1.00 0.00 C ATOM 162 CD PRO A 10 -12.828 17.709 -10.405 1.00 0.00 C ATOM 0 HA PRO A 10 -13.457 15.128 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.283 17.480 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.605 16.993 -7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.134 18.997 -9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.457 19.048 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.170 18.279 -11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.743 17.636 -10.481 1.00 0.00 H new ATOM 170 N GLU A 11 -16.235 16.488 -9.722 1.00 0.00 N ATOM 171 CA GLU A 11 -17.676 16.249 -9.757 1.00 0.00 C ATOM 172 C GLU A 11 -18.019 14.892 -10.381 1.00 0.00 C ATOM 173 O GLU A 11 -19.051 14.317 -10.036 1.00 0.00 O ATOM 174 CB GLU A 11 -18.373 17.363 -10.551 1.00 0.00 C ATOM 175 CG GLU A 11 -18.749 18.578 -9.690 1.00 0.00 C ATOM 176 CD GLU A 11 -17.530 19.324 -9.119 1.00 0.00 C ATOM 177 OE1 GLU A 11 -16.801 19.984 -9.894 1.00 0.00 O ATOM 178 OE2 GLU A 11 -17.318 19.294 -7.886 1.00 0.00 O ATOM 0 H GLU A 11 -15.924 17.255 -10.318 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.029 16.245 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.718 17.688 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.275 16.961 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.341 19.270 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.382 18.248 -8.866 1.00 0.00 H new ATOM 185 N GLN A 12 -17.182 14.366 -11.283 1.00 0.00 N ATOM 186 CA GLN A 12 -17.413 13.071 -11.905 1.00 0.00 C ATOM 187 C GLN A 12 -16.910 11.976 -10.965 1.00 0.00 C ATOM 188 O GLN A 12 -17.516 10.907 -10.907 1.00 0.00 O ATOM 189 CB GLN A 12 -16.758 13.017 -13.305 1.00 0.00 C ATOM 190 CG GLN A 12 -17.545 13.841 -14.339 1.00 0.00 C ATOM 191 CD GLN A 12 -18.938 13.267 -14.614 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.083 12.169 -15.145 1.00 0.00 O ATOM 193 NE2 GLN A 12 -19.992 13.979 -14.248 1.00 0.00 N ATOM 0 H GLN A 12 -16.330 14.830 -11.597 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.479 12.909 -12.066 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.737 13.393 -13.243 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.697 11.981 -13.637 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.643 14.866 -13.982 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.982 13.880 -15.271 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.864 14.890 -13.808 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.932 13.617 -14.406 1.00 0.00 H new ATOM 202 N TYR A 13 -15.845 12.237 -10.197 1.00 0.00 N ATOM 203 CA TYR A 13 -15.316 11.294 -9.220 1.00 0.00 C ATOM 204 C TYR A 13 -16.402 10.886 -8.219 1.00 0.00 C ATOM 205 O TYR A 13 -16.586 9.696 -7.958 1.00 0.00 O ATOM 206 CB TYR A 13 -14.076 11.886 -8.525 1.00 0.00 C ATOM 207 CG TYR A 13 -13.987 11.632 -7.028 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.720 10.339 -6.543 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.183 12.690 -6.119 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.617 10.110 -5.160 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.091 12.466 -4.735 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.805 11.172 -4.247 1.00 0.00 C ATOM 213 OH TYR A 13 -13.693 10.968 -2.903 1.00 0.00 O ATOM 0 H TYR A 13 -15.327 13.115 -10.241 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.000 10.387 -9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.184 11.478 -9.000 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.063 12.962 -8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.594 9.520 -7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.406 13.680 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.393 9.119 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.239 13.283 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.854 11.811 -2.430 1.00 0.00 H new ATOM 223 N GLN A 14 -17.148 11.867 -7.694 1.00 0.00 N ATOM 224 CA GLN A 14 -18.131 11.637 -6.636 1.00 0.00 C ATOM 225 C GLN A 14 -19.251 10.675 -7.063 1.00 0.00 C ATOM 226 O GLN A 14 -19.903 10.088 -6.197 1.00 0.00 O ATOM 227 CB GLN A 14 -18.744 12.980 -6.192 1.00 0.00 C ATOM 228 CG GLN A 14 -17.759 13.959 -5.524 1.00 0.00 C ATOM 229 CD GLN A 14 -17.341 13.592 -4.095 1.00 0.00 C ATOM 230 OE1 GLN A 14 -17.547 12.484 -3.609 1.00 0.00 O ATOM 231 NE2 GLN A 14 -16.749 14.531 -3.374 1.00 0.00 N ATOM 0 H GLN A 14 -17.084 12.840 -7.993 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.602 11.169 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.182 13.467 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.559 12.778 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -16.863 14.026 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.211 14.951 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.578 15.452 -3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.464 14.334 -2.415 1.00 0.00 H new ATOM 240 N GLN A 15 -19.502 10.528 -8.371 1.00 0.00 N ATOM 241 CA GLN A 15 -20.657 9.798 -8.878 1.00 0.00 C ATOM 242 C GLN A 15 -20.557 8.304 -8.538 1.00 0.00 C ATOM 243 O GLN A 15 -21.541 7.729 -8.078 1.00 0.00 O ATOM 244 CB GLN A 15 -20.813 10.033 -10.393 1.00 0.00 C ATOM 245 CG GLN A 15 -20.907 11.522 -10.791 1.00 0.00 C ATOM 246 CD GLN A 15 -22.028 12.285 -10.079 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.163 11.826 -9.980 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.731 13.466 -9.561 1.00 0.00 N ATOM 0 H GLN A 15 -18.906 10.915 -9.103 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.554 10.177 -8.387 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.965 9.582 -10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.709 9.517 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -19.955 12.007 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.061 11.591 -11.868 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.785 13.838 -9.649 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.448 14.004 -9.074 1.00 0.00 H new ATOM 257 N GLU A 16 -19.380 7.693 -8.721 1.00 0.00 N ATOM 258 CA GLU A 16 -19.026 6.331 -8.311 1.00 0.00 C ATOM 259 C GLU A 16 -17.550 6.131 -8.659 1.00 0.00 C ATOM 260 O GLU A 16 -17.130 6.546 -9.741 1.00 0.00 O ATOM 261 CB GLU A 16 -19.899 5.254 -8.997 1.00 0.00 C ATOM 262 CG GLU A 16 -19.956 5.318 -10.533 1.00 0.00 C ATOM 263 CD GLU A 16 -20.935 4.275 -11.100 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.599 3.071 -11.142 1.00 0.00 O ATOM 265 OE2 GLU A 16 -22.050 4.653 -11.529 1.00 0.00 O ATOM 0 H GLU A 16 -18.605 8.165 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.205 6.216 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.526 4.272 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.915 5.336 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.263 6.316 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.961 5.147 -10.943 1.00 0.00 H new ATOM 272 N HIS A 17 -16.752 5.506 -7.790 1.00 0.00 N ATOM 273 CA HIS A 17 -15.312 5.308 -7.980 1.00 0.00 C ATOM 274 C HIS A 17 -14.861 4.012 -7.301 1.00 0.00 C ATOM 275 O HIS A 17 -15.606 3.464 -6.490 1.00 0.00 O ATOM 276 CB HIS A 17 -14.540 6.525 -7.443 1.00 0.00 C ATOM 277 CG HIS A 17 -14.276 6.505 -5.957 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.207 6.383 -4.947 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.043 6.581 -5.365 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.546 6.410 -3.777 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.221 6.535 -3.976 1.00 0.00 N ATOM 0 H HIS A 17 -17.097 5.114 -6.914 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.098 5.216 -9.045 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.586 6.591 -7.966 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.100 7.428 -7.686 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.216 6.289 -5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.097 6.662 -5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.016 6.341 -2.807 1.00 0.00 H new ATOM 289 N VAL A 18 -13.672 3.508 -7.639 1.00 0.00 N ATOM 290 CA VAL A 18 -13.169 2.226 -7.150 1.00 0.00 C ATOM 291 C VAL A 18 -13.071 2.256 -5.619 1.00 0.00 C ATOM 292 O VAL A 18 -12.575 3.221 -5.033 1.00 0.00 O ATOM 293 CB VAL A 18 -11.825 1.880 -7.831 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.238 0.562 -7.307 1.00 0.00 C ATOM 295 CG2 VAL A 18 -11.999 1.750 -9.355 1.00 0.00 C ATOM 0 H VAL A 18 -13.025 3.985 -8.267 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.866 1.430 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.143 2.697 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.294 0.358 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.065 0.642 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.937 -0.251 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.040 1.506 -9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.716 0.959 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.365 2.693 -9.761 1.00 0.00 H new ATOM 305 N GLN A 19 -13.540 1.182 -4.977 1.00 0.00 N ATOM 306 CA GLN A 19 -13.527 1.030 -3.528 1.00 0.00 C ATOM 307 C GLN A 19 -12.098 1.212 -2.992 1.00 0.00 C ATOM 308 O GLN A 19 -11.157 0.592 -3.492 1.00 0.00 O ATOM 309 CB GLN A 19 -14.141 -0.340 -3.177 1.00 0.00 C ATOM 310 CG GLN A 19 -14.472 -0.537 -1.686 1.00 0.00 C ATOM 311 CD GLN A 19 -13.253 -0.789 -0.791 1.00 0.00 C ATOM 312 OE1 GLN A 19 -12.364 -1.572 -1.114 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.177 -0.130 0.355 1.00 0.00 N ATOM 0 H GLN A 19 -13.946 0.382 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.130 1.799 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.054 -0.473 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.449 -1.123 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.996 0.347 -1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.159 -1.378 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.917 0.520 0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.378 -0.272 0.973 1.00 0.00 H new ATOM 322 N GLY A 20 -11.945 2.052 -1.963 1.00 0.00 N ATOM 323 CA GLY A 20 -10.697 2.218 -1.221 1.00 0.00 C ATOM 324 C GLY A 20 -9.683 3.154 -1.891 1.00 0.00 C ATOM 325 O GLY A 20 -8.595 3.349 -1.345 1.00 0.00 O ATOM 0 H GLY A 20 -12.700 2.645 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.927 2.603 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.236 1.240 -1.085 1.00 0.00 H new ATOM 329 N ALA A 21 -10.006 3.724 -3.057 1.00 0.00 N ATOM 330 CA ALA A 21 -9.157 4.686 -3.752 1.00 0.00 C ATOM 331 C ALA A 21 -9.196 6.072 -3.075 1.00 0.00 C ATOM 332 O ALA A 21 -9.894 6.290 -2.081 1.00 0.00 O ATOM 333 CB ALA A 21 -9.624 4.762 -5.210 1.00 0.00 C ATOM 0 H ALA A 21 -10.878 3.524 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.119 4.357 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.005 5.476 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.535 3.779 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.664 5.086 -5.242 1.00 0.00 H new ATOM 339 N ILE A 22 -8.467 7.021 -3.662 1.00 0.00 N ATOM 340 CA ILE A 22 -8.456 8.454 -3.354 1.00 0.00 C ATOM 341 C ILE A 22 -8.736 9.190 -4.680 1.00 0.00 C ATOM 342 O ILE A 22 -8.753 8.552 -5.736 1.00 0.00 O ATOM 343 CB ILE A 22 -7.104 8.810 -2.671 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.034 10.257 -2.136 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.913 8.550 -3.605 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.734 10.568 -1.381 1.00 0.00 C ATOM 0 H ILE A 22 -7.822 6.794 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.223 8.760 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.045 8.146 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.135 10.950 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.881 10.432 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.986 8.810 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.891 7.496 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.015 9.159 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.753 11.601 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.641 9.899 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.883 10.425 -2.047 1.00 0.00 H new ATOM 358 N ASN A 23 -8.939 10.512 -4.669 1.00 0.00 N ATOM 359 CA ASN A 23 -9.158 11.297 -5.884 1.00 0.00 C ATOM 360 C ASN A 23 -8.237 12.504 -5.910 1.00 0.00 C ATOM 361 O ASN A 23 -8.247 13.340 -5.003 1.00 0.00 O ATOM 362 CB ASN A 23 -10.621 11.728 -5.997 1.00 0.00 C ATOM 363 CG ASN A 23 -10.883 12.745 -7.113 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.394 13.829 -6.857 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.544 12.450 -8.360 1.00 0.00 N ATOM 0 H ASN A 23 -8.956 11.067 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.925 10.669 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.237 10.846 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.938 12.157 -5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.708 13.125 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.119 11.548 -8.573 1.00 0.00 H new ATOM 372 N ILE A 24 -7.464 12.604 -6.985 1.00 0.00 N ATOM 373 CA ILE A 24 -6.657 13.762 -7.310 1.00 0.00 C ATOM 374 C ILE A 24 -6.917 13.992 -8.802 1.00 0.00 C ATOM 375 O ILE A 24 -6.223 13.404 -9.628 1.00 0.00 O ATOM 376 CB ILE A 24 -5.166 13.573 -6.938 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.990 13.110 -5.473 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.458 14.917 -7.171 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.536 12.948 -5.024 1.00 0.00 C ATOM 0 H ILE A 24 -7.383 11.855 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.927 14.643 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.731 12.791 -7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.480 13.830 -4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.504 12.158 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.402 14.821 -6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.556 15.203 -8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.913 15.682 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.510 12.621 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.042 12.205 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.018 13.903 -5.117 1.00 0.00 H new ATOM 391 N PRO A 25 -7.965 14.755 -9.163 1.00 0.00 N ATOM 392 CA PRO A 25 -8.288 15.081 -10.544 1.00 0.00 C ATOM 393 C PRO A 25 -7.069 15.603 -11.290 1.00 0.00 C ATOM 394 O PRO A 25 -6.218 16.242 -10.674 1.00 0.00 O ATOM 395 CB PRO A 25 -9.362 16.168 -10.483 1.00 0.00 C ATOM 396 CG PRO A 25 -10.012 15.963 -9.119 1.00 0.00 C ATOM 397 CD PRO A 25 -8.848 15.473 -8.266 1.00 0.00 C ATOM 0 HA PRO A 25 -8.631 14.194 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.928 17.164 -10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.086 16.061 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.438 16.888 -8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.820 15.232 -9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.330 16.309 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.199 14.824 -7.463 1.00 0.00 H new ATOM 405 N LEU A 26 -7.028 15.449 -12.615 1.00 0.00 N ATOM 406 CA LEU A 26 -5.956 15.983 -13.463 1.00 0.00 C ATOM 407 C LEU A 26 -5.645 17.458 -13.153 1.00 0.00 C ATOM 408 O LEU A 26 -4.478 17.843 -13.107 1.00 0.00 O ATOM 409 CB LEU A 26 -6.355 15.785 -14.935 1.00 0.00 C ATOM 410 CG LEU A 26 -5.328 16.308 -15.959 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.026 15.500 -15.906 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.931 16.219 -17.363 1.00 0.00 C ATOM 0 H LEU A 26 -7.745 14.945 -13.137 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.035 15.438 -13.255 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.516 14.722 -15.113 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.308 16.285 -15.109 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.092 17.344 -15.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.323 15.894 -16.640 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.591 15.576 -14.910 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.237 14.455 -16.131 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.210 16.587 -18.093 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.177 15.181 -17.588 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.836 16.825 -17.409 1.00 0.00 H new ATOM 424 N LYS A 27 -6.678 18.268 -12.881 1.00 0.00 N ATOM 425 CA LYS A 27 -6.542 19.686 -12.531 1.00 0.00 C ATOM 426 C LYS A 27 -5.813 19.915 -11.199 1.00 0.00 C ATOM 427 O LYS A 27 -5.295 21.009 -10.980 1.00 0.00 O ATOM 428 CB LYS A 27 -7.934 20.348 -12.471 1.00 0.00 C ATOM 429 CG LYS A 27 -8.768 20.253 -13.762 1.00 0.00 C ATOM 430 CD LYS A 27 -8.092 20.912 -14.974 1.00 0.00 C ATOM 431 CE LYS A 27 -9.041 20.891 -16.181 1.00 0.00 C ATOM 432 NZ LYS A 27 -8.449 21.545 -17.375 1.00 0.00 N ATOM 0 H LYS A 27 -7.647 17.949 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.933 20.141 -13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.500 19.891 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.806 21.401 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.958 19.203 -13.987 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.737 20.723 -13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.818 21.939 -14.734 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.169 20.385 -15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.294 19.859 -16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.971 21.394 -15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.126 21.506 -18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.231 22.538 -17.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.575 21.050 -17.644 1.00 0.00 H new ATOM 446 N GLU A 28 -5.771 18.919 -10.312 1.00 0.00 N ATOM 447 CA GLU A 28 -5.218 19.010 -8.963 1.00 0.00 C ATOM 448 C GLU A 28 -3.926 18.188 -8.820 1.00 0.00 C ATOM 449 O GLU A 28 -3.204 18.393 -7.844 1.00 0.00 O ATOM 450 CB GLU A 28 -6.265 18.555 -7.923 1.00 0.00 C ATOM 451 CG GLU A 28 -7.589 19.345 -7.956 1.00 0.00 C ATOM 452 CD GLU A 28 -8.401 19.172 -6.663 1.00 0.00 C ATOM 453 OE1 GLU A 28 -9.028 18.113 -6.448 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.355 20.064 -5.787 1.00 0.00 O ATOM 0 H GLU A 28 -6.136 17.991 -10.524 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.964 20.054 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.483 17.499 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.830 18.642 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.375 20.403 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.187 19.014 -8.805 1.00 0.00 H new ATOM 461 N VAL A 29 -3.595 17.291 -9.768 1.00 0.00 N ATOM 462 CA VAL A 29 -2.407 16.425 -9.708 1.00 0.00 C ATOM 463 C VAL A 29 -1.163 17.246 -9.369 1.00 0.00 C ATOM 464 O VAL A 29 -0.497 16.947 -8.378 1.00 0.00 O ATOM 465 CB VAL A 29 -2.260 15.595 -11.011 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.889 14.919 -11.167 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.293 14.461 -11.066 1.00 0.00 C ATOM 0 H VAL A 29 -4.155 17.147 -10.608 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.531 15.702 -8.902 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.401 16.325 -11.808 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.864 14.358 -12.101 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.108 15.679 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.721 14.240 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.165 13.897 -11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.150 13.797 -10.213 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.298 14.882 -11.034 1.00 0.00 H new ATOM 477 N LYS A 30 -0.892 18.320 -10.116 1.00 0.00 N ATOM 478 CA LYS A 30 0.334 19.107 -9.963 1.00 0.00 C ATOM 479 C LYS A 30 0.448 19.801 -8.599 1.00 0.00 C ATOM 480 O LYS A 30 1.519 20.320 -8.286 1.00 0.00 O ATOM 481 CB LYS A 30 0.454 20.134 -11.104 1.00 0.00 C ATOM 482 CG LYS A 30 0.528 19.462 -12.488 1.00 0.00 C ATOM 483 CD LYS A 30 0.726 20.457 -13.641 1.00 0.00 C ATOM 484 CE LYS A 30 2.103 21.138 -13.593 1.00 0.00 C ATOM 485 NZ LYS A 30 2.314 22.059 -14.738 1.00 0.00 N ATOM 0 H LYS A 30 -1.516 18.668 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 30 1.164 18.402 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.402 20.808 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.345 20.743 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.349 18.745 -12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.389 18.898 -12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.614 19.935 -14.592 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.054 21.217 -13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.199 21.693 -12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.883 20.377 -13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.255 22.495 -14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.249 21.526 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.586 22.802 -14.725 1.00 0.00 H new ATOM 499 N GLU A 31 -0.614 19.821 -7.787 1.00 0.00 N ATOM 500 CA GLU A 31 -0.645 20.508 -6.499 1.00 0.00 C ATOM 501 C GLU A 31 -0.794 19.530 -5.325 1.00 0.00 C ATOM 502 O GLU A 31 -0.629 19.953 -4.178 1.00 0.00 O ATOM 503 CB GLU A 31 -1.781 21.546 -6.495 1.00 0.00 C ATOM 504 CG GLU A 31 -1.575 22.651 -7.542 1.00 0.00 C ATOM 505 CD GLU A 31 -2.616 23.775 -7.390 1.00 0.00 C ATOM 506 OE1 GLU A 31 -3.719 23.678 -7.974 1.00 0.00 O ATOM 507 OE2 GLU A 31 -2.335 24.781 -6.700 1.00 0.00 O ATOM 0 H GLU A 31 -1.490 19.351 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 31 0.310 21.016 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.729 21.043 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.853 21.997 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.572 23.067 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.644 22.223 -8.542 1.00 0.00 H new ATOM 514 N ARG A 32 -1.091 18.241 -5.565 1.00 0.00 N ATOM 515 CA ARG A 32 -1.436 17.306 -4.484 1.00 0.00 C ATOM 516 C ARG A 32 -0.865 15.900 -4.659 1.00 0.00 C ATOM 517 O ARG A 32 -0.837 15.157 -3.679 1.00 0.00 O ATOM 518 CB ARG A 32 -2.971 17.301 -4.311 1.00 0.00 C ATOM 519 CG ARG A 32 -3.439 16.639 -3.001 1.00 0.00 C ATOM 520 CD ARG A 32 -4.880 17.014 -2.632 1.00 0.00 C ATOM 521 NE ARG A 32 -5.899 16.345 -3.470 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.888 16.966 -4.129 1.00 0.00 C ATOM 523 NH1 ARG A 32 -6.973 18.292 -4.116 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.795 16.273 -4.808 1.00 0.00 N ATOM 0 H ARG A 32 -1.099 17.825 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.959 17.662 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.335 18.328 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.422 16.778 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.363 15.556 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.772 16.934 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.057 16.759 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.000 18.094 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.845 15.330 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.284 18.842 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.727 18.760 -4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.745 15.255 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.542 16.759 -5.304 1.00 0.00 H new ATOM 538 N ILE A 33 -0.379 15.506 -5.842 1.00 0.00 N ATOM 539 CA ILE A 33 0.090 14.132 -6.036 1.00 0.00 C ATOM 540 C ILE A 33 1.254 13.792 -5.100 1.00 0.00 C ATOM 541 O ILE A 33 1.285 12.688 -4.560 1.00 0.00 O ATOM 542 CB ILE A 33 0.389 13.842 -7.523 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.656 12.340 -7.775 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.556 14.675 -8.097 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.504 11.414 -7.402 1.00 0.00 C ATOM 0 H ILE A 33 -0.301 16.106 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.719 13.457 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.516 14.143 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.891 12.199 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.538 12.041 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.707 14.416 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.320 15.736 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.466 14.461 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.227 10.381 -7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.728 11.521 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.384 11.680 -7.987 1.00 0.00 H new ATOM 557 N ALA A 34 2.155 14.744 -4.830 1.00 0.00 N ATOM 558 CA ALA A 34 3.276 14.533 -3.920 1.00 0.00 C ATOM 559 C ALA A 34 2.810 14.189 -2.499 1.00 0.00 C ATOM 560 O ALA A 34 3.505 13.465 -1.789 1.00 0.00 O ATOM 561 CB ALA A 34 4.170 15.777 -3.906 1.00 0.00 C ATOM 0 H ALA A 34 2.124 15.679 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 34 3.846 13.678 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.006 15.616 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.550 15.963 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.591 16.638 -3.572 1.00 0.00 H new ATOM 567 N THR A 35 1.645 14.681 -2.071 1.00 0.00 N ATOM 568 CA THR A 35 1.097 14.398 -0.753 1.00 0.00 C ATOM 569 C THR A 35 0.683 12.919 -0.660 1.00 0.00 C ATOM 570 O THR A 35 0.916 12.280 0.368 1.00 0.00 O ATOM 571 CB THR A 35 -0.086 15.352 -0.484 1.00 0.00 C ATOM 572 OG1 THR A 35 0.241 16.670 -0.904 1.00 0.00 O ATOM 573 CG2 THR A 35 -0.452 15.396 1.003 1.00 0.00 C ATOM 0 H THR A 35 1.055 15.291 -2.637 1.00 0.00 H new ATOM 0 HA THR A 35 1.851 14.568 0.015 1.00 0.00 H new ATOM 0 HB THR A 35 -0.938 14.972 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.517 17.266 -0.730 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.289 16.078 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.734 14.398 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.406 15.743 1.579 1.00 0.00 H new ATOM 581 N ALA A 36 0.099 12.360 -1.730 1.00 0.00 N ATOM 582 CA ALA A 36 -0.343 10.968 -1.757 1.00 0.00 C ATOM 583 C ALA A 36 0.797 10.006 -2.115 1.00 0.00 C ATOM 584 O ALA A 36 0.790 8.864 -1.656 1.00 0.00 O ATOM 585 CB ALA A 36 -1.492 10.818 -2.758 1.00 0.00 C ATOM 0 H ALA A 36 -0.078 12.865 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.684 10.705 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.823 9.780 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.322 11.457 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.150 11.110 -3.751 1.00 0.00 H new ATOM 591 N VAL A 37 1.767 10.451 -2.917 1.00 0.00 N ATOM 592 CA VAL A 37 2.820 9.623 -3.494 1.00 0.00 C ATOM 593 C VAL A 37 4.138 10.399 -3.322 1.00 0.00 C ATOM 594 O VAL A 37 4.569 11.103 -4.240 1.00 0.00 O ATOM 595 CB VAL A 37 2.491 9.257 -4.963 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.407 8.119 -5.433 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.036 8.799 -5.176 1.00 0.00 C ATOM 0 H VAL A 37 1.840 11.431 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 37 2.910 8.662 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 37 2.645 10.171 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.171 7.866 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.447 8.438 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.254 7.244 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.880 8.560 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.841 7.914 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.356 9.598 -4.881 1.00 0.00 H new ATOM 607 N PRO A 38 4.763 10.345 -2.131 1.00 0.00 N ATOM 608 CA PRO A 38 5.887 11.207 -1.778 1.00 0.00 C ATOM 609 C PRO A 38 7.226 10.798 -2.412 1.00 0.00 C ATOM 610 O PRO A 38 8.228 11.476 -2.172 1.00 0.00 O ATOM 611 CB PRO A 38 5.945 11.169 -0.245 1.00 0.00 C ATOM 612 CG PRO A 38 5.417 9.777 0.090 1.00 0.00 C ATOM 613 CD PRO A 38 4.343 9.564 -0.974 1.00 0.00 C ATOM 0 HA PRO A 38 5.729 12.211 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.961 11.314 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.330 11.951 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.200 9.021 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.004 9.732 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.250 8.508 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.368 9.892 -0.615 1.00 0.00 H new ATOM 621 N ASP A 39 7.286 9.718 -3.201 1.00 0.00 N ATOM 622 CA ASP A 39 8.527 9.226 -3.797 1.00 0.00 C ATOM 623 C ASP A 39 8.261 8.710 -5.211 1.00 0.00 C ATOM 624 O ASP A 39 7.262 8.029 -5.456 1.00 0.00 O ATOM 625 CB ASP A 39 9.131 8.123 -2.921 1.00 0.00 C ATOM 626 CG ASP A 39 10.485 7.677 -3.485 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.489 6.868 -4.438 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.535 8.140 -2.987 1.00 0.00 O ATOM 0 H ASP A 39 6.467 9.160 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 39 9.242 10.046 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.256 8.487 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.451 7.273 -2.875 1.00 0.00 H new ATOM 633 N LYS A 40 9.158 9.048 -6.143 1.00 0.00 N ATOM 634 CA LYS A 40 9.010 8.778 -7.573 1.00 0.00 C ATOM 635 C LYS A 40 8.931 7.286 -7.908 1.00 0.00 C ATOM 636 O LYS A 40 8.360 6.938 -8.945 1.00 0.00 O ATOM 637 CB LYS A 40 10.169 9.443 -8.338 1.00 0.00 C ATOM 638 CG LYS A 40 10.031 10.976 -8.359 1.00 0.00 C ATOM 639 CD LYS A 40 11.267 11.643 -8.982 1.00 0.00 C ATOM 640 CE LYS A 40 11.104 13.164 -9.135 1.00 0.00 C ATOM 641 NZ LYS A 40 11.083 13.886 -7.836 1.00 0.00 N ATOM 0 H LYS A 40 10.028 9.529 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 40 8.056 9.204 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.116 9.169 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.194 9.066 -9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.142 11.255 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.891 11.344 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.139 11.435 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.459 11.202 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.921 13.551 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.179 13.371 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.971 14.906 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.288 13.542 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.976 13.716 -7.330 1.00 0.00 H new ATOM 655 N ASN A 41 9.501 6.410 -7.072 1.00 0.00 N ATOM 656 CA ASN A 41 9.529 4.974 -7.338 1.00 0.00 C ATOM 657 C ASN A 41 8.236 4.274 -6.897 1.00 0.00 C ATOM 658 O ASN A 41 8.030 3.114 -7.251 1.00 0.00 O ATOM 659 CB ASN A 41 10.777 4.301 -6.723 1.00 0.00 C ATOM 660 CG ASN A 41 10.491 3.474 -5.466 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.501 2.246 -5.493 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.246 4.121 -4.343 1.00 0.00 N ATOM 0 H ASN A 41 9.952 6.679 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 41 9.596 4.860 -8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.234 3.655 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.508 5.072 -6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.062 3.601 -3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.240 5.141 -4.333 1.00 0.00 H new ATOM 669 N ASP A 42 7.381 4.926 -6.100 1.00 0.00 N ATOM 670 CA ASP A 42 6.186 4.274 -5.564 1.00 0.00 C ATOM 671 C ASP A 42 5.123 4.101 -6.656 1.00 0.00 C ATOM 672 O ASP A 42 5.016 4.936 -7.559 1.00 0.00 O ATOM 673 CB ASP A 42 5.628 5.061 -4.378 1.00 0.00 C ATOM 674 CG ASP A 42 4.503 4.286 -3.681 1.00 0.00 C ATOM 675 OD1 ASP A 42 4.632 3.048 -3.550 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.527 4.921 -3.229 1.00 0.00 O ATOM 0 H ASP A 42 7.495 5.899 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 42 6.468 3.282 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.427 5.267 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.251 6.024 -4.722 1.00 0.00 H new ATOM 681 N THR A 43 4.353 3.013 -6.599 1.00 0.00 N ATOM 682 CA THR A 43 3.443 2.631 -7.677 1.00 0.00 C ATOM 683 C THR A 43 2.162 3.467 -7.602 1.00 0.00 C ATOM 684 O THR A 43 1.671 3.764 -6.508 1.00 0.00 O ATOM 685 CB THR A 43 3.115 1.123 -7.615 1.00 0.00 C ATOM 686 OG1 THR A 43 4.201 0.362 -7.120 1.00 0.00 O ATOM 687 CG2 THR A 43 2.719 0.560 -8.985 1.00 0.00 C ATOM 0 H THR A 43 4.344 2.373 -5.805 1.00 0.00 H new ATOM 0 HA THR A 43 3.934 2.826 -8.630 1.00 0.00 H new ATOM 0 HB THR A 43 2.270 1.039 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.089 0.220 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.498 -0.503 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.836 1.084 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.541 0.699 -9.687 1.00 0.00 H new ATOM 695 N VAL A 44 1.565 3.782 -8.754 1.00 0.00 N ATOM 696 CA VAL A 44 0.305 4.510 -8.836 1.00 0.00 C ATOM 697 C VAL A 44 -0.540 3.850 -9.923 1.00 0.00 C ATOM 698 O VAL A 44 -0.024 3.501 -10.988 1.00 0.00 O ATOM 699 CB VAL A 44 0.546 6.007 -9.140 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.722 6.822 -8.854 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.699 6.627 -8.334 1.00 0.00 C ATOM 0 H VAL A 44 1.951 3.534 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.218 4.469 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 44 0.816 6.046 -10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.536 7.873 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.537 6.460 -9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.996 6.713 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.806 7.678 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.484 6.544 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.625 6.099 -8.559 1.00 0.00 H new ATOM 711 N LYS A 45 -1.840 3.708 -9.670 1.00 0.00 N ATOM 712 CA LYS A 45 -2.809 3.170 -10.615 1.00 0.00 C ATOM 713 C LYS A 45 -3.844 4.260 -10.832 1.00 0.00 C ATOM 714 O LYS A 45 -4.738 4.444 -10.004 1.00 0.00 O ATOM 715 CB LYS A 45 -3.399 1.845 -10.092 1.00 0.00 C ATOM 716 CG LYS A 45 -2.380 0.690 -10.058 1.00 0.00 C ATOM 717 CD LYS A 45 -1.952 0.208 -11.457 1.00 0.00 C ATOM 718 CE LYS A 45 -0.773 -0.780 -11.431 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.066 -2.037 -10.700 1.00 0.00 N ATOM 0 H LYS A 45 -2.257 3.972 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.357 2.912 -11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.791 2.003 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.241 1.558 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.496 1.012 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.810 -0.148 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.803 -0.267 -11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.678 1.072 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.491 -1.023 -12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.087 -0.294 -10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.235 -2.662 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.291 -1.818 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.878 -2.514 -11.141 1.00 0.00 H new ATOM 733 N VAL A 46 -3.664 5.045 -11.893 1.00 0.00 N ATOM 734 CA VAL A 46 -4.586 6.122 -12.227 1.00 0.00 C ATOM 735 C VAL A 46 -5.748 5.534 -13.028 1.00 0.00 C ATOM 736 O VAL A 46 -5.550 4.634 -13.852 1.00 0.00 O ATOM 737 CB VAL A 46 -3.867 7.289 -12.942 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.954 8.033 -11.955 1.00 0.00 C ATOM 739 CG2 VAL A 46 -3.017 6.879 -14.155 1.00 0.00 C ATOM 0 H VAL A 46 -2.880 4.951 -12.539 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.992 6.565 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.672 7.923 -13.314 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.453 8.853 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.552 8.431 -11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.208 7.344 -11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.553 7.764 -14.590 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.242 6.182 -13.837 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.653 6.400 -14.900 1.00 0.00 H new ATOM 749 N TYR A 47 -6.958 6.037 -12.811 1.00 0.00 N ATOM 750 CA TYR A 47 -8.129 5.716 -13.617 1.00 0.00 C ATOM 751 C TYR A 47 -9.038 6.939 -13.656 1.00 0.00 C ATOM 752 O TYR A 47 -8.920 7.828 -12.810 1.00 0.00 O ATOM 753 CB TYR A 47 -8.863 4.494 -13.059 1.00 0.00 C ATOM 754 CG TYR A 47 -9.516 4.705 -11.710 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.775 4.510 -10.528 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.860 5.122 -11.642 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.378 4.720 -9.277 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.465 5.343 -10.395 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.728 5.129 -9.212 1.00 0.00 C ATOM 760 OH TYR A 47 -11.342 5.302 -8.013 1.00 0.00 O ATOM 0 H TYR A 47 -7.156 6.692 -12.055 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.820 5.461 -14.631 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.628 4.190 -13.773 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.156 3.668 -12.979 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.742 4.199 -10.584 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.425 5.272 -12.550 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.812 4.569 -8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.491 5.676 -10.342 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.776 5.852 -7.432 1.00 0.00 H new ATOM 770 N CYS A 48 -9.940 7.006 -14.637 1.00 0.00 N ATOM 771 CA CYS A 48 -10.854 8.124 -14.802 1.00 0.00 C ATOM 772 C CYS A 48 -12.011 7.700 -15.707 1.00 0.00 C ATOM 773 O CYS A 48 -12.177 6.510 -15.991 1.00 0.00 O ATOM 774 CB CYS A 48 -10.078 9.320 -15.382 1.00 0.00 C ATOM 775 SG CYS A 48 -9.509 8.994 -17.076 1.00 0.00 S ATOM 0 H CYS A 48 -10.053 6.277 -15.342 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.276 8.426 -13.843 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.715 10.205 -15.376 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.221 9.540 -14.746 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.502 9.136 -17.902 1.00 0.00 H new ATOM 781 N ASN A 49 -12.795 8.666 -16.195 1.00 0.00 N ATOM 782 CA ASN A 49 -13.761 8.403 -17.253 1.00 0.00 C ATOM 783 C ASN A 49 -13.040 8.519 -18.598 1.00 0.00 C ATOM 784 O ASN A 49 -12.268 9.459 -18.803 1.00 0.00 O ATOM 785 CB ASN A 49 -14.922 9.403 -17.178 1.00 0.00 C ATOM 786 CG ASN A 49 -15.966 9.074 -18.239 1.00 0.00 C ATOM 787 OD1 ASN A 49 -16.096 9.770 -19.241 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.708 7.991 -18.057 1.00 0.00 N ATOM 0 H ASN A 49 -12.776 9.633 -15.872 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.177 7.402 -17.139 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.376 9.371 -16.188 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.549 10.417 -17.325 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.401 7.724 -18.756 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.586 7.424 -17.218 1.00 0.00 H new ATOM 795 N ALA A 50 -13.295 7.571 -19.505 1.00 0.00 N ATOM 796 CA ALA A 50 -12.788 7.528 -20.881 1.00 0.00 C ATOM 797 C ALA A 50 -11.252 7.575 -21.022 1.00 0.00 C ATOM 798 O ALA A 50 -10.751 7.858 -22.110 1.00 0.00 O ATOM 799 CB ALA A 50 -13.499 8.600 -21.725 1.00 0.00 C ATOM 0 H ALA A 50 -13.891 6.772 -19.289 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.033 6.540 -21.270 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.122 8.568 -22.747 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.572 8.408 -21.728 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.308 9.585 -21.299 1.00 0.00 H new ATOM 805 N GLY A 51 -10.490 7.304 -19.956 1.00 0.00 N ATOM 806 CA GLY A 51 -9.037 7.117 -19.991 1.00 0.00 C ATOM 807 C GLY A 51 -8.213 8.399 -20.172 1.00 0.00 C ATOM 808 O GLY A 51 -7.074 8.445 -19.709 1.00 0.00 O ATOM 0 H GLY A 51 -10.880 7.206 -19.019 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.727 6.634 -19.064 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.795 6.432 -20.804 1.00 0.00 H new ATOM 812 N ARG A 52 -8.755 9.455 -20.792 1.00 0.00 N ATOM 813 CA ARG A 52 -8.016 10.683 -21.122 1.00 0.00 C ATOM 814 C ARG A 52 -7.341 11.297 -19.917 1.00 0.00 C ATOM 815 O ARG A 52 -6.133 11.506 -19.977 1.00 0.00 O ATOM 816 CB ARG A 52 -8.923 11.697 -21.837 1.00 0.00 C ATOM 817 CG ARG A 52 -9.355 11.228 -23.237 1.00 0.00 C ATOM 818 CD ARG A 52 -10.283 12.236 -23.930 1.00 0.00 C ATOM 819 NE ARG A 52 -11.603 12.325 -23.271 1.00 0.00 N ATOM 820 CZ ARG A 52 -12.034 13.295 -22.451 1.00 0.00 C ATOM 821 NH1 ARG A 52 -11.248 14.321 -22.131 1.00 0.00 N ATOM 822 NH2 ARG A 52 -13.258 13.223 -21.937 1.00 0.00 N ATOM 0 H ARG A 52 -9.732 9.482 -21.083 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.219 10.398 -21.809 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.810 11.876 -21.229 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.399 12.649 -21.924 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.470 11.069 -23.853 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.863 10.267 -23.155 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.812 13.219 -23.931 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.418 11.946 -24.972 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.258 11.566 -23.460 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.303 14.377 -22.511 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.591 15.051 -21.506 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.862 12.434 -22.167 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.593 13.957 -21.313 1.00 0.00 H new ATOM 836 N GLN A 53 -8.063 11.520 -18.818 1.00 0.00 N ATOM 837 CA GLN A 53 -7.459 12.153 -17.648 1.00 0.00 C ATOM 838 C GLN A 53 -6.327 11.278 -17.088 1.00 0.00 C ATOM 839 O GLN A 53 -5.365 11.818 -16.551 1.00 0.00 O ATOM 840 CB GLN A 53 -8.480 12.519 -16.551 1.00 0.00 C ATOM 841 CG GLN A 53 -9.678 13.385 -16.987 1.00 0.00 C ATOM 842 CD GLN A 53 -10.850 12.524 -17.473 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.605 11.981 -16.676 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.015 12.328 -18.771 1.00 0.00 N ATOM 0 H GLN A 53 -9.048 11.277 -18.715 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.040 13.100 -17.988 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.866 11.594 -16.122 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.952 13.044 -15.755 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.003 14.005 -16.151 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.368 14.061 -17.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.389 12.778 -19.438 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.769 11.727 -19.104 1.00 0.00 H new ATOM 853 N SER A 54 -6.399 9.950 -17.239 1.00 0.00 N ATOM 854 CA SER A 54 -5.356 9.032 -16.790 1.00 0.00 C ATOM 855 C SER A 54 -4.131 9.068 -17.695 1.00 0.00 C ATOM 856 O SER A 54 -3.018 9.122 -17.180 1.00 0.00 O ATOM 857 CB SER A 54 -5.900 7.610 -16.711 1.00 0.00 C ATOM 858 OG SER A 54 -6.967 7.556 -15.790 1.00 0.00 O ATOM 0 H SER A 54 -7.191 9.483 -17.680 1.00 0.00 H new ATOM 0 HA SER A 54 -5.044 9.359 -15.798 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.240 7.286 -17.695 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.109 6.925 -16.406 1.00 0.00 H new ATOM 0 HG SER A 54 -7.753 7.997 -16.174 1.00 0.00 H new ATOM 864 N GLY A 55 -4.305 9.076 -19.020 1.00 0.00 N ATOM 865 CA GLY A 55 -3.184 9.209 -19.945 1.00 0.00 C ATOM 866 C GLY A 55 -2.500 10.557 -19.734 1.00 0.00 C ATOM 867 O GLY A 55 -1.283 10.628 -19.572 1.00 0.00 O ATOM 0 H GLY A 55 -5.215 8.992 -19.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.471 8.400 -19.786 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.537 9.126 -20.973 1.00 0.00 H new ATOM 871 N GLN A 56 -3.304 11.616 -19.637 1.00 0.00 N ATOM 872 CA GLN A 56 -2.862 12.970 -19.349 1.00 0.00 C ATOM 873 C GLN A 56 -2.097 13.028 -18.014 1.00 0.00 C ATOM 874 O GLN A 56 -1.017 13.619 -17.957 1.00 0.00 O ATOM 875 CB GLN A 56 -4.101 13.885 -19.376 1.00 0.00 C ATOM 876 CG GLN A 56 -4.543 14.230 -20.806 1.00 0.00 C ATOM 877 CD GLN A 56 -5.827 15.066 -20.812 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.905 14.593 -20.459 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.749 16.326 -21.210 1.00 0.00 N ATOM 0 H GLN A 56 -4.314 11.547 -19.762 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.155 13.317 -20.102 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.922 13.395 -18.853 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.882 14.805 -18.834 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.748 14.779 -21.311 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.704 13.311 -21.370 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.852 16.714 -21.502 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.586 16.909 -21.225 1.00 0.00 H new ATOM 888 N ALA A 57 -2.604 12.382 -16.955 1.00 0.00 N ATOM 889 CA ALA A 57 -1.925 12.329 -15.664 1.00 0.00 C ATOM 890 C ALA A 57 -0.612 11.545 -15.767 1.00 0.00 C ATOM 891 O ALA A 57 0.412 11.991 -15.257 1.00 0.00 O ATOM 892 CB ALA A 57 -2.842 11.719 -14.596 1.00 0.00 C ATOM 0 H ALA A 57 -3.494 11.884 -16.974 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.684 13.349 -15.365 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.318 11.688 -13.641 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.741 12.328 -14.497 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.120 10.707 -14.890 1.00 0.00 H new ATOM 898 N LYS A 58 -0.609 10.394 -16.443 1.00 0.00 N ATOM 899 CA LYS A 58 0.592 9.583 -16.622 1.00 0.00 C ATOM 900 C LYS A 58 1.672 10.394 -17.337 1.00 0.00 C ATOM 901 O LYS A 58 2.835 10.319 -16.941 1.00 0.00 O ATOM 902 CB LYS A 58 0.223 8.287 -17.364 1.00 0.00 C ATOM 903 CG LYS A 58 1.382 7.281 -17.445 1.00 0.00 C ATOM 904 CD LYS A 58 0.935 6.005 -18.175 1.00 0.00 C ATOM 905 CE LYS A 58 2.105 5.018 -18.302 1.00 0.00 C ATOM 906 NZ LYS A 58 1.743 3.820 -19.100 1.00 0.00 N ATOM 0 H LYS A 58 -1.441 10.000 -16.881 1.00 0.00 H new ATOM 0 HA LYS A 58 1.007 9.298 -15.655 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.622 7.817 -16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.104 8.535 -18.374 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.226 7.730 -17.969 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.726 7.032 -16.441 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.114 5.537 -17.631 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.557 6.259 -19.165 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.953 5.520 -18.768 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.426 4.707 -17.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.567 3.190 -19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.962 3.315 -18.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.446 4.114 -20.052 1.00 0.00 H new ATOM 920 N GLU A 59 1.309 11.194 -18.342 1.00 0.00 N ATOM 921 CA GLU A 59 2.258 12.035 -19.060 1.00 0.00 C ATOM 922 C GLU A 59 2.892 13.069 -18.124 1.00 0.00 C ATOM 923 O GLU A 59 4.121 13.106 -18.031 1.00 0.00 O ATOM 924 CB GLU A 59 1.593 12.708 -20.272 1.00 0.00 C ATOM 925 CG GLU A 59 1.424 11.734 -21.447 1.00 0.00 C ATOM 926 CD GLU A 59 0.786 12.423 -22.667 1.00 0.00 C ATOM 927 OE1 GLU A 59 1.522 13.035 -23.476 1.00 0.00 O ATOM 928 OE2 GLU A 59 -0.449 12.343 -22.850 1.00 0.00 O ATOM 0 H GLU A 59 0.349 11.274 -18.678 1.00 0.00 H new ATOM 0 HA GLU A 59 3.057 11.396 -19.436 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.618 13.098 -19.981 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.195 13.559 -20.590 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.396 11.327 -21.725 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.803 10.893 -21.137 1.00 0.00 H new ATOM 935 N ILE A 60 2.109 13.884 -17.399 1.00 0.00 N ATOM 936 CA ILE A 60 2.703 14.908 -16.546 1.00 0.00 C ATOM 937 C ILE A 60 3.491 14.276 -15.398 1.00 0.00 C ATOM 938 O ILE A 60 4.518 14.820 -15.007 1.00 0.00 O ATOM 939 CB ILE A 60 1.651 15.923 -16.056 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.643 15.300 -15.066 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.979 16.598 -17.268 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.481 16.238 -14.641 1.00 0.00 C ATOM 0 H ILE A 60 1.090 13.852 -17.389 1.00 0.00 H new ATOM 0 HA ILE A 60 3.415 15.474 -17.146 1.00 0.00 H new ATOM 0 HB ILE A 60 2.156 16.699 -15.480 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.206 14.411 -15.522 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.181 14.971 -14.177 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.236 17.315 -16.919 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.733 17.116 -17.860 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.492 15.841 -17.883 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.143 15.721 -13.946 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.057 17.116 -14.154 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.048 16.548 -15.519 1.00 0.00 H new ATOM 954 N LEU A 61 3.071 13.118 -14.880 1.00 0.00 N ATOM 955 CA LEU A 61 3.787 12.456 -13.798 1.00 0.00 C ATOM 956 C LEU A 61 5.107 11.876 -14.293 1.00 0.00 C ATOM 957 O LEU A 61 6.096 11.929 -13.560 1.00 0.00 O ATOM 958 CB LEU A 61 2.909 11.379 -13.146 1.00 0.00 C ATOM 959 CG LEU A 61 1.724 11.975 -12.363 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.745 10.879 -11.926 1.00 0.00 C ATOM 961 CD2 LEU A 61 2.187 12.745 -11.128 1.00 0.00 C ATOM 0 H LEU A 61 2.237 12.623 -15.197 1.00 0.00 H new ATOM 0 HA LEU A 61 4.021 13.200 -13.036 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.530 10.709 -13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.519 10.777 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 61 1.222 12.666 -13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.082 11.328 -11.375 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.358 10.365 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.262 10.164 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.320 13.149 -10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.732 12.074 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.840 13.563 -11.433 1.00 0.00 H new ATOM 973 N SER A 62 5.157 11.389 -15.533 1.00 0.00 N ATOM 974 CA SER A 62 6.405 10.967 -16.153 1.00 0.00 C ATOM 975 C SER A 62 7.349 12.166 -16.311 1.00 0.00 C ATOM 976 O SER A 62 8.549 12.033 -16.068 1.00 0.00 O ATOM 977 CB SER A 62 6.127 10.294 -17.503 1.00 0.00 C ATOM 978 OG SER A 62 5.234 9.203 -17.357 1.00 0.00 O ATOM 0 H SER A 62 4.337 11.278 -16.130 1.00 0.00 H new ATOM 0 HA SER A 62 6.894 10.236 -15.509 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.705 11.022 -18.196 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.063 9.945 -17.938 1.00 0.00 H new ATOM 0 HG SER A 62 4.311 9.525 -17.423 1.00 0.00 H new ATOM 984 N GLU A 63 6.822 13.345 -16.664 1.00 0.00 N ATOM 985 CA GLU A 63 7.612 14.568 -16.780 1.00 0.00 C ATOM 986 C GLU A 63 8.110 15.030 -15.399 1.00 0.00 C ATOM 987 O GLU A 63 9.271 15.421 -15.264 1.00 0.00 O ATOM 988 CB GLU A 63 6.776 15.647 -17.491 1.00 0.00 C ATOM 989 CG GLU A 63 7.601 16.895 -17.829 1.00 0.00 C ATOM 990 CD GLU A 63 6.777 17.917 -18.633 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.128 18.798 -18.024 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.788 17.868 -19.884 1.00 0.00 O ATOM 0 H GLU A 63 5.833 13.474 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 63 8.501 14.376 -17.381 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.356 15.233 -18.408 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.937 15.930 -16.856 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.957 17.357 -16.908 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.482 16.606 -18.402 1.00 0.00 H new ATOM 999 N MET A 64 7.263 14.944 -14.364 1.00 0.00 N ATOM 1000 CA MET A 64 7.626 15.254 -12.980 1.00 0.00 C ATOM 1001 C MET A 64 8.693 14.281 -12.460 1.00 0.00 C ATOM 1002 O MET A 64 9.515 14.673 -11.630 1.00 0.00 O ATOM 1003 CB MET A 64 6.378 15.243 -12.078 1.00 0.00 C ATOM 1004 CG MET A 64 5.466 16.450 -12.347 1.00 0.00 C ATOM 1005 SD MET A 64 3.826 16.388 -11.564 1.00 0.00 S ATOM 1006 CE MET A 64 4.277 16.608 -9.821 1.00 0.00 C ATOM 0 H MET A 64 6.291 14.652 -14.470 1.00 0.00 H new ATOM 0 HA MET A 64 8.053 16.257 -12.956 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.819 14.322 -12.243 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.686 15.246 -11.032 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.977 17.351 -12.007 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.331 16.547 -13.424 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.376 16.593 -9.207 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.940 15.800 -9.512 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.786 17.563 -9.695 1.00 0.00 H new ATOM 1016 N GLY A 65 8.708 13.037 -12.953 1.00 0.00 N ATOM 1017 CA GLY A 65 9.794 12.086 -12.749 1.00 0.00 C ATOM 1018 C GLY A 65 9.358 10.739 -12.176 1.00 0.00 C ATOM 1019 O GLY A 65 10.226 9.897 -11.945 1.00 0.00 O ATOM 0 H GLY A 65 7.946 12.660 -13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.295 11.916 -13.702 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.529 12.531 -12.078 1.00 0.00 H new ATOM 1023 N TYR A 66 8.065 10.513 -11.914 1.00 0.00 N ATOM 1024 CA TYR A 66 7.602 9.200 -11.471 1.00 0.00 C ATOM 1025 C TYR A 66 7.805 8.187 -12.600 1.00 0.00 C ATOM 1026 O TYR A 66 7.714 8.535 -13.780 1.00 0.00 O ATOM 1027 CB TYR A 66 6.125 9.211 -11.056 1.00 0.00 C ATOM 1028 CG TYR A 66 5.775 10.098 -9.872 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.529 11.474 -10.051 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.676 9.537 -8.585 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.196 12.287 -8.952 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.368 10.348 -7.479 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.113 11.725 -7.657 1.00 0.00 C ATOM 1034 OH TYR A 66 4.788 12.510 -6.592 1.00 0.00 O ATOM 0 H TYR A 66 7.331 11.216 -12.001 1.00 0.00 H new ATOM 0 HA TYR A 66 8.186 8.922 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.529 9.529 -11.912 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.826 8.190 -10.821 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.597 11.907 -11.038 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.837 8.478 -8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.004 13.340 -9.097 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.326 9.916 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 66 4.695 11.953 -5.791 1.00 0.00 H new ATOM 1044 N THR A 67 8.014 6.923 -12.238 1.00 0.00 N ATOM 1045 CA THR A 67 8.390 5.868 -13.181 1.00 0.00 C ATOM 1046 C THR A 67 7.527 4.602 -13.021 1.00 0.00 C ATOM 1047 O THR A 67 7.771 3.605 -13.703 1.00 0.00 O ATOM 1048 CB THR A 67 9.907 5.598 -13.029 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.310 5.696 -11.671 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.730 6.616 -13.828 1.00 0.00 C ATOM 0 H THR A 67 7.927 6.598 -11.275 1.00 0.00 H new ATOM 0 HA THR A 67 8.194 6.200 -14.200 1.00 0.00 H new ATOM 0 HB THR A 67 10.084 4.590 -13.404 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.271 5.520 -11.602 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.792 6.403 -13.704 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.467 6.548 -14.884 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.516 7.621 -13.465 1.00 0.00 H new ATOM 1058 N HIS A 68 6.504 4.635 -12.152 1.00 0.00 N ATOM 1059 CA HIS A 68 5.672 3.476 -11.803 1.00 0.00 C ATOM 1060 C HIS A 68 4.187 3.861 -11.769 1.00 0.00 C ATOM 1061 O HIS A 68 3.400 3.312 -10.996 1.00 0.00 O ATOM 1062 CB HIS A 68 6.148 2.863 -10.474 1.00 0.00 C ATOM 1063 CG HIS A 68 7.602 2.467 -10.457 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.118 1.193 -10.551 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.661 3.323 -10.330 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.458 1.283 -10.481 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.842 2.567 -10.348 1.00 0.00 N ATOM 0 H HIS A 68 6.228 5.487 -11.663 1.00 0.00 H new ATOM 0 HA HIS A 68 5.781 2.713 -12.574 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.970 3.580 -9.673 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.542 1.984 -10.256 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.599 4.397 -10.233 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.133 0.441 -10.525 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.797 2.918 -10.275 1.00 0.00 H new ATOM 1075 N VAL A 69 3.810 4.837 -12.592 1.00 0.00 N ATOM 1076 CA VAL A 69 2.417 5.188 -12.831 1.00 0.00 C ATOM 1077 C VAL A 69 1.944 4.299 -13.981 1.00 0.00 C ATOM 1078 O VAL A 69 2.650 4.158 -14.983 1.00 0.00 O ATOM 1079 CB VAL A 69 2.294 6.688 -13.180 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.826 7.114 -13.335 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.949 7.572 -12.107 1.00 0.00 C ATOM 0 H VAL A 69 4.471 5.410 -13.116 1.00 0.00 H new ATOM 0 HA VAL A 69 1.801 5.027 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 69 2.812 6.825 -14.129 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.779 8.175 -13.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.362 6.536 -14.134 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.294 6.934 -12.401 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.843 8.621 -12.385 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.462 7.401 -11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.007 7.323 -12.026 1.00 0.00 H new ATOM 1091 N GLU A 70 0.745 3.734 -13.871 1.00 0.00 N ATOM 1092 CA GLU A 70 0.091 3.038 -14.967 1.00 0.00 C ATOM 1093 C GLU A 70 -1.400 3.365 -14.921 1.00 0.00 C ATOM 1094 O GLU A 70 -1.953 3.618 -13.847 1.00 0.00 O ATOM 1095 CB GLU A 70 0.381 1.528 -14.864 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.217 0.678 -15.997 1.00 0.00 C ATOM 1097 CD GLU A 70 0.276 1.105 -17.391 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.134 2.187 -17.871 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.084 0.373 -18.007 1.00 0.00 O ATOM 0 H GLU A 70 0.198 3.748 -13.010 1.00 0.00 H new ATOM 0 HA GLU A 70 0.475 3.364 -15.934 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.461 1.380 -14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.004 1.162 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.038 -0.369 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.304 0.751 -15.964 1.00 0.00 H new ATOM 1106 N ASN A 71 -2.054 3.372 -16.083 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.499 3.514 -16.157 1.00 0.00 C ATOM 1108 C ASN A 71 -4.137 2.138 -15.993 1.00 0.00 C ATOM 1109 O ASN A 71 -3.928 1.261 -16.833 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.937 4.167 -17.475 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.455 4.111 -17.654 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.949 3.721 -18.706 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.233 4.472 -16.644 1.00 0.00 N ATOM 0 H ASN A 71 -1.597 3.280 -16.990 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.832 4.172 -15.354 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.606 5.205 -17.495 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.453 3.662 -18.311 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.247 4.426 -16.740 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.817 4.796 -15.771 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.924 1.952 -14.929 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.661 0.712 -14.702 1.00 0.00 C ATOM 1122 C ALA A 72 -6.721 0.479 -15.791 1.00 0.00 C ATOM 1123 O ALA A 72 -7.001 -0.669 -16.138 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.314 0.748 -13.316 1.00 0.00 C ATOM 0 H ALA A 72 -5.066 2.656 -14.205 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.957 -0.119 -14.749 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.864 -0.178 -13.149 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.543 0.855 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.001 1.593 -13.259 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.303 1.555 -16.326 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.331 1.538 -17.357 1.00 0.00 C ATOM 1132 C GLY A 73 -9.271 2.724 -17.165 1.00 0.00 C ATOM 1133 O GLY A 73 -8.943 3.672 -16.441 1.00 0.00 O ATOM 0 H GLY A 73 -7.056 2.501 -16.036 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.871 1.583 -18.344 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.893 0.605 -17.309 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.436 2.671 -17.807 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.531 3.590 -17.531 1.00 0.00 C ATOM 1139 C GLY A 74 -12.448 2.945 -16.495 1.00 0.00 C ATOM 1140 O GLY A 74 -12.502 1.717 -16.400 1.00 0.00 O ATOM 0 H GLY A 74 -10.645 1.987 -18.534 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.146 4.539 -17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.084 3.807 -18.445 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.177 3.757 -15.725 1.00 0.00 N ATOM 1145 CA LEU A 75 -13.967 3.300 -14.574 1.00 0.00 C ATOM 1146 C LEU A 75 -14.903 2.137 -14.931 1.00 0.00 C ATOM 1147 O LEU A 75 -14.977 1.156 -14.190 1.00 0.00 O ATOM 1148 CB LEU A 75 -14.727 4.510 -13.984 1.00 0.00 C ATOM 1149 CG LEU A 75 -15.518 4.282 -12.674 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -16.899 3.644 -12.873 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -14.716 3.514 -11.616 1.00 0.00 C ATOM 0 H LEU A 75 -13.237 4.763 -15.884 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.294 2.899 -13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.006 5.308 -13.808 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.424 4.872 -14.740 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.694 5.290 -12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.385 3.520 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.510 4.288 -13.506 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.785 2.670 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.324 3.386 -10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.438 2.536 -12.009 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.815 4.074 -11.365 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.602 2.228 -16.068 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.548 1.199 -16.500 1.00 0.00 C ATOM 1165 C LYS A 76 -15.831 -0.106 -16.861 1.00 0.00 C ATOM 1166 O LYS A 76 -16.362 -1.186 -16.599 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.372 1.741 -17.683 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.525 0.807 -18.082 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.381 1.428 -19.194 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.522 0.475 -19.575 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.384 1.030 -20.649 1.00 0.00 N ATOM 0 H LYS A 76 -15.527 3.016 -16.711 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.222 0.962 -15.676 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.776 2.719 -17.421 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.715 1.887 -18.541 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.123 -0.148 -18.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.148 0.601 -17.212 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.790 2.382 -18.860 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.762 1.635 -20.067 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.104 -0.476 -19.903 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.130 0.269 -18.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.140 0.352 -20.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.806 1.925 -20.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.811 1.203 -21.500 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.647 -0.020 -17.473 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.896 -1.188 -17.938 1.00 0.00 C ATOM 1187 C ASP A 77 -13.236 -1.930 -16.774 1.00 0.00 C ATOM 1188 O ASP A 77 -13.152 -3.159 -16.794 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.823 -0.755 -18.944 1.00 0.00 C ATOM 1190 CG ASP A 77 -12.000 -1.961 -19.426 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.523 -2.777 -20.217 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.814 -2.079 -19.046 1.00 0.00 O ATOM 0 H ASP A 77 -14.180 0.867 -17.661 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.601 -1.866 -18.419 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.295 -0.268 -19.797 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.163 -0.021 -18.483 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.783 -1.192 -15.755 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.161 -1.735 -14.551 1.00 0.00 C ATOM 1199 C ILE A 78 -13.167 -2.662 -13.854 1.00 0.00 C ATOM 1200 O ILE A 78 -14.298 -2.260 -13.574 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.671 -0.557 -13.673 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.421 0.077 -14.325 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.352 -0.980 -12.229 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.064 1.445 -13.742 1.00 0.00 C ATOM 0 H ILE A 78 -12.842 -0.174 -15.748 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.284 -2.341 -14.776 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.482 0.168 -13.615 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.573 -0.596 -14.200 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.591 0.179 -15.397 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.014 -0.113 -11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.248 -1.390 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.568 -1.737 -12.236 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.178 1.834 -14.243 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.897 2.133 -13.891 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.863 1.345 -12.675 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.746 -3.894 -13.545 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.598 -4.919 -12.939 1.00 0.00 C ATOM 1218 C ALA A 79 -13.724 -4.782 -11.411 1.00 0.00 C ATOM 1219 O ALA A 79 -14.515 -5.504 -10.800 1.00 0.00 O ATOM 1220 CB ALA A 79 -13.040 -6.302 -13.302 1.00 0.00 C ATOM 0 H ALA A 79 -11.790 -4.209 -13.712 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.604 -4.789 -13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.666 -7.075 -12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.035 -6.419 -14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.023 -6.395 -12.922 1.00 0.00 H new ATOM 1226 N MET A 80 -12.941 -3.896 -10.783 1.00 0.00 N ATOM 1227 CA MET A 80 -12.967 -3.663 -9.335 1.00 0.00 C ATOM 1228 C MET A 80 -14.355 -3.166 -8.892 1.00 0.00 C ATOM 1229 O MET A 80 -15.051 -2.538 -9.698 1.00 0.00 O ATOM 1230 CB MET A 80 -11.895 -2.630 -8.944 1.00 0.00 C ATOM 1231 CG MET A 80 -10.457 -3.064 -9.262 1.00 0.00 C ATOM 1232 SD MET A 80 -9.831 -4.464 -8.290 1.00 0.00 S ATOM 1233 CE MET A 80 -9.494 -3.631 -6.712 1.00 0.00 C ATOM 0 H MET A 80 -12.263 -3.313 -11.274 1.00 0.00 H new ATOM 0 HA MET A 80 -12.755 -4.606 -8.832 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.103 -1.694 -9.462 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.974 -2.428 -7.876 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.400 -3.323 -10.319 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.796 -2.212 -9.107 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.101 -4.353 -5.996 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.762 -2.839 -6.868 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.417 -3.201 -6.323 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.764 -3.391 -7.628 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.003 -2.843 -7.082 1.00 0.00 C ATOM 1245 C PRO A 81 -15.902 -1.322 -6.897 1.00 0.00 C ATOM 1246 O PRO A 81 -14.802 -0.762 -6.843 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.214 -3.568 -5.748 1.00 0.00 C ATOM 1248 CG PRO A 81 -14.793 -3.908 -5.301 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.071 -4.183 -6.618 1.00 0.00 C ATOM 0 HA PRO A 81 -16.848 -2.998 -7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.723 -2.934 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.822 -4.464 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.334 -3.084 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.775 -4.776 -4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.020 -3.900 -6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.101 -5.244 -6.866 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.052 -0.651 -6.756 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.135 0.806 -6.640 1.00 0.00 C ATOM 1259 C LYS A 82 -17.981 1.210 -5.435 1.00 0.00 C ATOM 1260 O LYS A 82 -18.831 0.441 -4.983 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.724 1.452 -7.915 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.846 1.366 -9.175 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.127 0.116 -10.019 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.185 0.058 -11.228 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.264 -1.254 -11.908 1.00 0.00 N ATOM 0 H LYS A 82 -17.961 -1.113 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.116 1.169 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.682 0.979 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.926 2.503 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.009 2.254 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.797 1.370 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.999 -0.778 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.163 0.125 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.442 0.850 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.161 0.241 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.545 -1.300 -12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.094 -2.013 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.209 -1.372 -12.327 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.778 2.442 -4.968 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.557 3.120 -3.936 1.00 0.00 C ATOM 1281 C VAL A 83 -18.734 4.585 -4.365 1.00 0.00 C ATOM 1282 O VAL A 83 -18.011 5.072 -5.244 1.00 0.00 O ATOM 1283 CB VAL A 83 -17.878 2.982 -2.551 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.760 1.516 -2.105 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.488 3.635 -2.498 1.00 0.00 C ATOM 0 H VAL A 83 -17.020 3.026 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.540 2.661 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.534 3.514 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.278 1.470 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.754 1.074 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.164 0.962 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.063 3.506 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.837 3.165 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.577 4.699 -2.719 1.00 0.00 H new ATOM 1295 N LYS A 84 -19.681 5.302 -3.757 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.081 6.649 -4.177 1.00 0.00 C ATOM 1297 C LYS A 84 -19.741 7.668 -3.091 1.00 0.00 C ATOM 1298 O LYS A 84 -19.492 7.291 -1.941 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.588 6.679 -4.496 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.013 5.607 -5.513 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.461 5.818 -5.974 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.841 4.759 -7.019 1.00 0.00 C ATOM 1303 NZ LYS A 84 -25.239 4.915 -7.492 1.00 0.00 N ATOM 0 H LYS A 84 -20.199 4.960 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.530 6.914 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.151 6.539 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.851 7.663 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.347 5.636 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -21.912 4.618 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -24.136 5.756 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -23.574 6.816 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.162 4.829 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -23.713 3.765 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -25.452 4.179 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -25.890 4.822 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.356 5.853 -7.926 1.00 0.00 H new ATOM 1317 N GLY A 85 -19.733 8.951 -3.459 1.00 0.00 N ATOM 1318 CA GLY A 85 -19.587 10.059 -2.526 1.00 0.00 C ATOM 1319 C GLY A 85 -20.645 9.974 -1.432 1.00 0.00 C ATOM 1320 O GLY A 85 -21.834 9.787 -1.763 1.00 0.00 O ATOM 1321 OXT GLY A 85 -20.288 10.105 -0.244 1.00 0.00 O ATOM 0 H GLY A 85 -19.830 9.249 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.592 10.040 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.680 11.006 -3.058 1.00 0.00 H new TER 1325 GLY A 85