USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 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=0.000169 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.985 X(o=-0.98,f=-0.98) USER MOD Set 2.1: A 48 CYS SG : rot -75:sc= 0.0483 USER MOD Set 2.2: A 54 SER OG : rot 142:sc= 0.499 USER MOD Set 3.1: A 12 GLN : amide:sc= -0.134 K(o=-0.43,f=-2!) USER MOD Set 3.2: A 49 ASN : amide:sc= -0.3 X(o=-0.43,f=-0.13) USER MOD Single : A 1 ALA N :NH3+ -129:sc= 0.332 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0.0038) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.0215 X(o=0.022,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.931 K(o=0.93,f=-0.11) USER MOD Single : A 17 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=-0.024) USER MOD Single : A 19 GLN : amide:sc= -0.536 K(o=-0.54,f=-2.4) USER MOD Single : A 23 ASN : amide:sc= 0.0224 K(o=0.022,f=-0.68) 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+ 144:sc= 1.18 (180deg=-1.14) USER MOD Single : A 41 ASN : amide:sc= -0.0848 X(o=-0.085,f=-0.085) USER MOD Single : A 43 THR OG1 : rot 91:sc= 0.138 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 0.2 (180deg=0.0649) USER MOD Single : A 47 TYR OH : rot -125:sc= -0.22 USER MOD Single : A 53 GLN : amide:sc= -2.96! K(o=-3!,f=-0.72) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 74:sc= 0.295 USER MOD Single : A 64 MET CE :methyl 178:sc= 0 (180deg=-0.0183) USER MOD Single : A 66 TYR OH : rot 178:sc= 1.19 USER MOD Single : A 71 ASN : amide:sc= 0.805 K(o=0.8,f=0.019) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 171:sc= -0.178 (180deg=-0.323) USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 2.1 (180deg=1.86) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.697 -0.699 -2.823 1.00 0.00 N ATOM 2 CA ALA A 1 3.298 -0.469 -2.401 1.00 0.00 C ATOM 3 C ALA A 1 2.579 0.070 -3.635 1.00 0.00 C ATOM 4 O ALA A 1 3.186 0.055 -4.714 1.00 0.00 O ATOM 5 CB ALA A 1 3.205 0.418 -1.135 1.00 0.00 C ATOM 0 H1 ALA A 1 4.984 -1.664 -2.561 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.772 -0.583 -3.854 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.319 -0.012 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 1 2.805 -1.384 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.158 0.558 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.731 -0.066 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.661 1.388 -1.336 1.00 0.00 H new ATOM 13 N GLU A 2 1.297 0.423 -3.531 1.00 0.00 N ATOM 14 CA GLU A 2 0.595 1.076 -4.618 1.00 0.00 C ATOM 15 C GLU A 2 -0.521 1.927 -4.023 1.00 0.00 C ATOM 16 O GLU A 2 -0.946 1.677 -2.890 1.00 0.00 O ATOM 17 CB GLU A 2 0.049 0.025 -5.626 1.00 0.00 C ATOM 18 CG GLU A 2 -1.301 -0.640 -5.247 1.00 0.00 C ATOM 19 CD GLU A 2 -1.452 -2.030 -5.920 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.684 -2.939 -5.521 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.273 -2.169 -6.876 1.00 0.00 O ATOM 0 H GLU A 2 0.729 0.264 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 2 1.274 1.720 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.065 0.507 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.797 -0.759 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.364 -0.749 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.125 0.005 -5.551 1.00 0.00 H new ATOM 28 N HIS A 3 -1.050 2.851 -4.821 1.00 0.00 N ATOM 29 CA HIS A 3 -2.237 3.635 -4.515 1.00 0.00 C ATOM 30 C HIS A 3 -3.106 3.705 -5.774 1.00 0.00 C ATOM 31 O HIS A 3 -2.584 3.856 -6.879 1.00 0.00 O ATOM 32 CB HIS A 3 -1.829 5.047 -4.054 1.00 0.00 C ATOM 33 CG HIS A 3 -1.248 5.093 -2.658 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.960 5.076 -1.476 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.079 5.168 -2.320 1.00 0.00 C ATOM 36 CE1 HIS A 3 -1.080 5.123 -0.462 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.175 5.187 -0.922 1.00 0.00 N ATOM 0 H HIS A 3 -0.648 3.080 -5.730 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.802 3.169 -3.708 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.098 5.450 -4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.702 5.698 -4.095 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.907 5.206 -3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.349 5.111 0.584 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.029 5.239 -0.367 1.00 0.00 H new ATOM 45 N TRP A 4 -4.432 3.656 -5.615 1.00 0.00 N ATOM 46 CA TRP A 4 -5.392 3.870 -6.691 1.00 0.00 C ATOM 47 C TRP A 4 -5.855 5.314 -6.590 1.00 0.00 C ATOM 48 O TRP A 4 -6.409 5.706 -5.563 1.00 0.00 O ATOM 49 CB TRP A 4 -6.564 2.892 -6.537 1.00 0.00 C ATOM 50 CG TRP A 4 -6.233 1.478 -6.888 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.522 0.615 -6.131 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.590 0.739 -8.090 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.356 -0.576 -6.804 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.027 -0.566 -8.003 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.346 1.037 -9.239 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.199 -1.526 -9.003 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.530 0.083 -10.252 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.961 -1.200 -10.139 1.00 0.00 C ATOM 0 H TRP A 4 -4.872 3.462 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.948 3.690 -7.670 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.917 2.925 -5.506 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.388 3.228 -7.167 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.140 0.827 -5.143 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.807 -1.362 -6.457 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.792 2.015 -9.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.753 -2.505 -8.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.113 0.335 -11.125 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.109 -1.930 -10.921 1.00 0.00 H new ATOM 69 N ILE A 5 -5.636 6.113 -7.628 1.00 0.00 N ATOM 70 CA ILE A 5 -5.933 7.542 -7.645 1.00 0.00 C ATOM 71 C ILE A 5 -6.824 7.748 -8.863 1.00 0.00 C ATOM 72 O ILE A 5 -6.410 7.581 -10.007 1.00 0.00 O ATOM 73 CB ILE A 5 -4.618 8.362 -7.630 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.933 8.257 -6.243 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.858 9.854 -7.933 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.412 8.209 -6.313 1.00 0.00 C ATOM 0 H ILE A 5 -5.237 5.777 -8.504 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.463 7.899 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.982 7.942 -8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.233 9.110 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.293 7.361 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.908 10.387 -7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.309 9.957 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.527 10.275 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.004 8.136 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.102 7.341 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.041 9.116 -6.790 1.00 0.00 H new ATOM 88 N ASP A 6 -8.090 8.041 -8.610 1.00 0.00 N ATOM 89 CA ASP A 6 -8.994 8.516 -9.641 1.00 0.00 C ATOM 90 C ASP A 6 -8.549 9.944 -9.986 1.00 0.00 C ATOM 91 O ASP A 6 -8.340 10.753 -9.074 1.00 0.00 O ATOM 92 CB ASP A 6 -10.416 8.484 -9.075 1.00 0.00 C ATOM 93 CG ASP A 6 -11.440 8.994 -10.090 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.631 10.228 -10.068 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.037 8.174 -10.847 1.00 0.00 O ATOM 0 H ASP A 6 -8.517 7.956 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.977 7.903 -10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.669 7.465 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.463 9.094 -8.173 1.00 0.00 H new ATOM 100 N VAL A 7 -8.420 10.270 -11.272 1.00 0.00 N ATOM 101 CA VAL A 7 -7.976 11.588 -11.732 1.00 0.00 C ATOM 102 C VAL A 7 -9.042 12.276 -12.598 1.00 0.00 C ATOM 103 O VAL A 7 -8.738 13.296 -13.228 1.00 0.00 O ATOM 104 CB VAL A 7 -6.604 11.492 -12.449 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.422 11.126 -11.531 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.602 10.491 -13.616 1.00 0.00 C ATOM 0 H VAL A 7 -8.623 9.621 -12.032 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.837 12.221 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.461 12.508 -12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.505 11.082 -12.119 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.318 11.882 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.605 10.155 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.614 10.470 -14.076 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.850 9.497 -13.243 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.341 10.795 -14.357 1.00 0.00 H new ATOM 116 N ARG A 8 -10.289 11.768 -12.672 1.00 0.00 N ATOM 117 CA ARG A 8 -11.319 12.531 -13.394 1.00 0.00 C ATOM 118 C ARG A 8 -11.621 13.808 -12.612 1.00 0.00 C ATOM 119 O ARG A 8 -11.152 13.984 -11.488 1.00 0.00 O ATOM 120 CB ARG A 8 -12.575 11.697 -13.669 1.00 0.00 C ATOM 121 CG ARG A 8 -13.505 11.548 -12.472 1.00 0.00 C ATOM 122 CD ARG A 8 -14.539 10.504 -12.849 1.00 0.00 C ATOM 123 NE ARG A 8 -14.153 9.194 -12.331 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.039 8.355 -11.823 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.340 8.493 -12.072 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.582 7.386 -11.044 1.00 0.00 N ATOM 0 H ARG A 8 -10.594 10.884 -12.265 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.940 12.802 -14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.128 12.155 -14.489 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.272 10.705 -14.004 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.949 11.240 -11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.984 12.498 -12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.513 10.787 -12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.640 10.458 -13.933 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.171 8.919 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.668 9.256 -12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.009 7.835 -11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.582 7.310 -10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.230 6.716 -10.630 1.00 0.00 H new ATOM 140 N VAL A 9 -12.384 14.725 -13.191 1.00 0.00 N ATOM 141 CA VAL A 9 -12.780 15.956 -12.521 1.00 0.00 C ATOM 142 C VAL A 9 -13.538 15.650 -11.203 1.00 0.00 C ATOM 143 O VAL A 9 -14.235 14.634 -11.127 1.00 0.00 O ATOM 144 CB VAL A 9 -13.547 16.819 -13.542 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.645 17.165 -14.742 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.821 16.148 -14.063 1.00 0.00 C ATOM 0 H VAL A 9 -12.746 14.636 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.919 16.538 -12.192 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.840 17.723 -13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.203 17.775 -15.453 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.773 17.719 -14.394 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.319 16.246 -15.229 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.314 16.808 -14.777 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.563 15.209 -14.554 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.494 15.949 -13.229 1.00 0.00 H new ATOM 156 N PRO A 10 -13.478 16.512 -10.168 1.00 0.00 N ATOM 157 CA PRO A 10 -13.942 16.160 -8.822 1.00 0.00 C ATOM 158 C PRO A 10 -15.451 15.875 -8.769 1.00 0.00 C ATOM 159 O PRO A 10 -15.908 14.998 -8.031 1.00 0.00 O ATOM 160 CB PRO A 10 -13.548 17.341 -7.926 1.00 0.00 C ATOM 161 CG PRO A 10 -13.372 18.517 -8.890 1.00 0.00 C ATOM 162 CD PRO A 10 -12.937 17.863 -10.199 1.00 0.00 C ATOM 0 HA PRO A 10 -13.482 15.231 -8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.318 17.549 -7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.627 17.135 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.301 19.075 -9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.623 19.221 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.317 18.417 -11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.851 17.847 -10.286 1.00 0.00 H new ATOM 170 N GLU A 11 -16.243 16.583 -9.578 1.00 0.00 N ATOM 171 CA GLU A 11 -17.685 16.374 -9.653 1.00 0.00 C ATOM 172 C GLU A 11 -18.015 14.994 -10.218 1.00 0.00 C ATOM 173 O GLU A 11 -19.041 14.424 -9.862 1.00 0.00 O ATOM 174 CB GLU A 11 -18.330 17.498 -10.478 1.00 0.00 C ATOM 175 CG GLU A 11 -18.321 18.805 -9.664 1.00 0.00 C ATOM 176 CD GLU A 11 -19.127 19.914 -10.351 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.569 20.505 -11.304 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.287 20.126 -9.931 1.00 0.00 O ATOM 0 H GLU A 11 -15.900 17.316 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.100 16.408 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.786 17.636 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.353 17.229 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.734 18.618 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.293 19.138 -9.524 1.00 0.00 H new ATOM 185 N GLN A 12 -17.146 14.410 -11.048 1.00 0.00 N ATOM 186 CA GLN A 12 -17.389 13.098 -11.626 1.00 0.00 C ATOM 187 C GLN A 12 -16.882 11.958 -10.748 1.00 0.00 C ATOM 188 O GLN A 12 -17.473 10.876 -10.772 1.00 0.00 O ATOM 189 CB GLN A 12 -16.787 13.029 -13.020 1.00 0.00 C ATOM 190 CG GLN A 12 -17.602 13.895 -13.993 1.00 0.00 C ATOM 191 CD GLN A 12 -17.645 13.320 -15.404 1.00 0.00 C ATOM 192 OE1 GLN A 12 -17.086 12.265 -15.682 1.00 0.00 O ATOM 193 NE2 GLN A 12 -18.321 13.996 -16.317 1.00 0.00 N ATOM 0 H GLN A 12 -16.263 14.834 -11.332 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.469 12.966 -11.693 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.753 13.372 -12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.772 11.996 -13.367 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.620 13.997 -13.616 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.173 14.897 -14.027 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.780 14.872 -16.067 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.384 13.641 -17.271 1.00 0.00 H new ATOM 202 N TYR A 13 -15.814 12.184 -9.981 1.00 0.00 N ATOM 203 CA TYR A 13 -15.365 11.255 -8.957 1.00 0.00 C ATOM 204 C TYR A 13 -16.531 10.942 -8.014 1.00 0.00 C ATOM 205 O TYR A 13 -16.837 9.772 -7.784 1.00 0.00 O ATOM 206 CB TYR A 13 -14.161 11.885 -8.241 1.00 0.00 C ATOM 207 CG TYR A 13 -14.053 11.569 -6.766 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.729 10.269 -6.332 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.247 12.603 -5.832 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.547 10.022 -4.966 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.083 12.355 -4.455 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.709 11.054 -4.025 1.00 0.00 C ATOM 213 OH TYR A 13 -13.447 10.751 -2.721 1.00 0.00 O ATOM 0 H TYR A 13 -15.237 13.022 -10.057 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.043 10.304 -9.382 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.249 11.551 -8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.212 12.967 -8.362 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.622 9.468 -7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.523 13.590 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.280 9.030 -4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.240 13.145 -3.735 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.593 11.545 -2.165 1.00 0.00 H new ATOM 223 N GLN A 14 -17.240 11.986 -7.559 1.00 0.00 N ATOM 224 CA GLN A 14 -18.313 11.841 -6.584 1.00 0.00 C ATOM 225 C GLN A 14 -19.477 11.035 -7.132 1.00 0.00 C ATOM 226 O GLN A 14 -20.235 10.492 -6.344 1.00 0.00 O ATOM 227 CB GLN A 14 -18.819 13.218 -6.126 1.00 0.00 C ATOM 228 CG GLN A 14 -17.810 13.883 -5.181 1.00 0.00 C ATOM 229 CD GLN A 14 -18.192 15.336 -4.856 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.996 15.617 -3.982 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.672 16.320 -5.581 1.00 0.00 N ATOM 0 H GLN A 14 -17.081 12.948 -7.860 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.896 11.302 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.986 13.856 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.779 13.108 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.748 13.310 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.820 13.862 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.998 16.110 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.947 17.286 -5.402 1.00 0.00 H new ATOM 240 N GLN A 15 -19.631 10.897 -8.448 1.00 0.00 N ATOM 241 CA GLN A 15 -20.758 10.127 -8.948 1.00 0.00 C ATOM 242 C GLN A 15 -20.555 8.673 -8.500 1.00 0.00 C ATOM 243 O GLN A 15 -21.463 8.082 -7.924 1.00 0.00 O ATOM 244 CB GLN A 15 -20.892 10.271 -10.473 1.00 0.00 C ATOM 245 CG GLN A 15 -20.842 11.743 -10.955 1.00 0.00 C ATOM 246 CD GLN A 15 -22.030 12.620 -10.506 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.172 12.181 -10.515 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.831 13.885 -10.140 1.00 0.00 N ATOM 0 H GLN A 15 -19.015 11.292 -9.159 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.698 10.498 -8.540 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.092 9.710 -10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.833 9.823 -10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -19.919 12.196 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.796 11.751 -12.044 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.886 14.269 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.623 14.470 -9.874 1.00 0.00 H new ATOM 257 N GLU A 16 -19.361 8.105 -8.724 1.00 0.00 N ATOM 258 CA GLU A 16 -19.062 6.693 -8.512 1.00 0.00 C ATOM 259 C GLU A 16 -17.585 6.475 -8.861 1.00 0.00 C ATOM 260 O GLU A 16 -17.118 6.991 -9.879 1.00 0.00 O ATOM 261 CB GLU A 16 -20.063 5.862 -9.352 1.00 0.00 C ATOM 262 CG GLU A 16 -19.574 4.565 -9.997 1.00 0.00 C ATOM 263 CD GLU A 16 -20.691 3.851 -10.779 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.865 3.846 -10.326 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.323 3.255 -11.813 1.00 0.00 O ATOM 0 H GLU A 16 -18.559 8.635 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.188 6.367 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.909 5.615 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.443 6.505 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.745 4.785 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.190 3.899 -9.225 1.00 0.00 H new ATOM 272 N HIS A 17 -16.830 5.752 -8.030 1.00 0.00 N ATOM 273 CA HIS A 17 -15.406 5.503 -8.212 1.00 0.00 C ATOM 274 C HIS A 17 -15.037 4.128 -7.649 1.00 0.00 C ATOM 275 O HIS A 17 -15.773 3.544 -6.847 1.00 0.00 O ATOM 276 CB HIS A 17 -14.568 6.623 -7.563 1.00 0.00 C ATOM 277 CG HIS A 17 -14.463 6.556 -6.053 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.493 6.590 -5.136 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.301 6.485 -5.333 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.958 6.559 -3.903 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.621 6.489 -3.969 1.00 0.00 N ATOM 0 H HIS A 17 -17.207 5.313 -7.190 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.181 5.504 -9.278 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.563 6.593 -7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.000 7.585 -7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.305 6.434 -5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.527 6.587 -2.986 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.969 6.447 -3.186 1.00 0.00 H new ATOM 289 N VAL A 18 -13.891 3.599 -8.085 1.00 0.00 N ATOM 290 CA VAL A 18 -13.390 2.340 -7.562 1.00 0.00 C ATOM 291 C VAL A 18 -13.136 2.537 -6.072 1.00 0.00 C ATOM 292 O VAL A 18 -12.507 3.501 -5.637 1.00 0.00 O ATOM 293 CB VAL A 18 -12.128 1.861 -8.298 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.618 0.519 -7.755 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.410 1.734 -9.805 1.00 0.00 C ATOM 0 H VAL A 18 -13.299 4.027 -8.797 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.128 1.554 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.352 2.607 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.725 0.220 -8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.375 0.623 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.391 -0.240 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.509 1.394 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.212 1.014 -9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.709 2.704 -10.202 1.00 0.00 H new ATOM 305 N GLN A 19 -13.660 1.578 -5.323 1.00 0.00 N ATOM 306 CA GLN A 19 -13.617 1.473 -3.885 1.00 0.00 C ATOM 307 C GLN A 19 -12.168 1.491 -3.404 1.00 0.00 C ATOM 308 O GLN A 19 -11.305 0.842 -3.992 1.00 0.00 O ATOM 309 CB GLN A 19 -14.312 0.135 -3.567 1.00 0.00 C ATOM 310 CG GLN A 19 -14.393 -0.289 -2.088 1.00 0.00 C ATOM 311 CD GLN A 19 -15.053 -1.667 -1.938 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.960 -2.511 -2.813 1.00 0.00 O ATOM 313 NE2 GLN A 19 -15.785 -1.931 -0.864 1.00 0.00 N ATOM 0 H GLN A 19 -14.163 0.797 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.113 2.303 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.328 0.181 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.794 -0.652 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.391 -0.315 -1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.961 0.452 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.873 -1.235 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.260 -2.830 -0.779 1.00 0.00 H new ATOM 322 N GLY A 20 -11.937 2.179 -2.285 1.00 0.00 N ATOM 323 CA GLY A 20 -10.650 2.161 -1.604 1.00 0.00 C ATOM 324 C GLY A 20 -9.613 3.015 -2.329 1.00 0.00 C ATOM 325 O GLY A 20 -8.432 2.903 -2.014 1.00 0.00 O ATOM 0 H GLY A 20 -12.638 2.762 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.773 2.526 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.290 1.134 -1.533 1.00 0.00 H new ATOM 329 N ALA A 21 -10.029 3.844 -3.292 1.00 0.00 N ATOM 330 CA ALA A 21 -9.168 4.779 -3.997 1.00 0.00 C ATOM 331 C ALA A 21 -9.260 6.161 -3.339 1.00 0.00 C ATOM 332 O ALA A 21 -10.129 6.427 -2.512 1.00 0.00 O ATOM 333 CB ALA A 21 -9.601 4.830 -5.471 1.00 0.00 C ATOM 0 H ALA A 21 -10.999 3.879 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.128 4.455 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.964 5.528 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.509 3.837 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.638 5.161 -5.534 1.00 0.00 H new ATOM 339 N ILE A 22 -8.411 7.075 -3.791 1.00 0.00 N ATOM 340 CA ILE A 22 -8.482 8.509 -3.507 1.00 0.00 C ATOM 341 C ILE A 22 -8.813 9.213 -4.838 1.00 0.00 C ATOM 342 O ILE A 22 -8.769 8.578 -5.895 1.00 0.00 O ATOM 343 CB ILE A 22 -7.169 8.944 -2.798 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.225 10.380 -2.224 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.960 8.759 -3.725 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.051 10.714 -1.290 1.00 0.00 C ATOM 0 H ILE A 22 -7.622 6.832 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.270 8.791 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.053 8.285 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.236 11.092 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.160 10.509 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.053 9.070 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.875 7.710 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.092 9.366 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.156 11.736 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.051 10.025 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.113 10.618 -1.836 1.00 0.00 H new ATOM 358 N ASN A 23 -9.114 10.512 -4.809 1.00 0.00 N ATOM 359 CA ASN A 23 -9.328 11.323 -6.006 1.00 0.00 C ATOM 360 C ASN A 23 -8.382 12.498 -5.959 1.00 0.00 C ATOM 361 O ASN A 23 -8.332 13.220 -4.963 1.00 0.00 O ATOM 362 CB ASN A 23 -10.778 11.801 -6.127 1.00 0.00 C ATOM 363 CG ASN A 23 -10.974 12.975 -7.093 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.564 13.995 -6.747 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.490 12.848 -8.322 1.00 0.00 N ATOM 0 H ASN A 23 -9.217 11.037 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.130 10.711 -6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.397 10.967 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.136 12.094 -5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.605 13.605 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.003 11.994 -8.592 1.00 0.00 H new ATOM 372 N ILE A 24 -7.631 12.682 -7.036 1.00 0.00 N ATOM 373 CA ILE A 24 -6.784 13.832 -7.242 1.00 0.00 C ATOM 374 C ILE A 24 -7.000 14.225 -8.707 1.00 0.00 C ATOM 375 O ILE A 24 -6.275 13.729 -9.563 1.00 0.00 O ATOM 376 CB ILE A 24 -5.320 13.500 -6.887 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.180 12.866 -5.484 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.564 14.827 -6.982 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.745 12.594 -5.030 1.00 0.00 C ATOM 0 H ILE A 24 -7.598 12.014 -7.806 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.030 14.673 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.915 12.753 -7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.655 13.524 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.732 11.926 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.513 14.665 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.648 15.222 -7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.992 15.541 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.756 12.150 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.266 11.908 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.188 13.531 -5.003 1.00 0.00 H new ATOM 391 N PRO A 25 -8.012 15.049 -9.026 1.00 0.00 N ATOM 392 CA PRO A 25 -8.337 15.400 -10.401 1.00 0.00 C ATOM 393 C PRO A 25 -7.108 15.859 -11.178 1.00 0.00 C ATOM 394 O PRO A 25 -6.248 16.521 -10.602 1.00 0.00 O ATOM 395 CB PRO A 25 -9.351 16.539 -10.303 1.00 0.00 C ATOM 396 CG PRO A 25 -9.992 16.350 -8.932 1.00 0.00 C ATOM 397 CD PRO A 25 -8.860 15.770 -8.093 1.00 0.00 C ATOM 0 HA PRO A 25 -8.730 14.536 -10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.867 17.512 -10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.092 16.483 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.353 17.294 -8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.846 15.675 -8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.304 16.559 -7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.246 15.105 -7.320 1.00 0.00 H new ATOM 405 N LEU A 26 -7.064 15.624 -12.496 1.00 0.00 N ATOM 406 CA LEU A 26 -5.968 16.064 -13.374 1.00 0.00 C ATOM 407 C LEU A 26 -5.574 17.538 -13.141 1.00 0.00 C ATOM 408 O LEU A 26 -4.397 17.894 -13.144 1.00 0.00 O ATOM 409 CB LEU A 26 -6.395 15.809 -14.835 1.00 0.00 C ATOM 410 CG LEU A 26 -5.408 16.348 -15.894 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.046 15.640 -15.810 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.018 16.150 -17.290 1.00 0.00 C ATOM 0 H LEU A 26 -7.798 15.116 -12.990 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.071 15.490 -13.141 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.516 14.736 -14.983 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.371 16.266 -15.000 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.239 17.408 -15.704 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.378 16.045 -16.570 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.613 15.801 -14.823 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.180 14.571 -15.978 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.329 16.528 -18.045 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.198 15.089 -17.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.961 16.693 -17.355 1.00 0.00 H new ATOM 424 N LYS A 27 -6.582 18.374 -12.883 1.00 0.00 N ATOM 425 CA LYS A 27 -6.429 19.802 -12.615 1.00 0.00 C ATOM 426 C LYS A 27 -5.613 20.132 -11.371 1.00 0.00 C ATOM 427 O LYS A 27 -5.006 21.195 -11.322 1.00 0.00 O ATOM 428 CB LYS A 27 -7.818 20.416 -12.461 1.00 0.00 C ATOM 429 CG LYS A 27 -8.478 20.473 -13.845 1.00 0.00 C ATOM 430 CD LYS A 27 -9.705 21.396 -13.849 1.00 0.00 C ATOM 431 CE LYS A 27 -9.420 22.633 -14.735 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.654 23.119 -15.427 1.00 0.00 N ATOM 0 H LYS A 27 -7.554 18.066 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.877 20.215 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.422 19.820 -11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.745 21.416 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.754 20.826 -14.580 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.776 19.469 -14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.576 20.859 -14.226 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.940 21.710 -12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.010 23.434 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.663 22.381 -15.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.421 23.948 -16.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.032 22.364 -16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.368 23.384 -14.719 1.00 0.00 H new ATOM 446 N GLU A 28 -5.624 19.237 -10.398 1.00 0.00 N ATOM 447 CA GLU A 28 -5.165 19.439 -9.036 1.00 0.00 C ATOM 448 C GLU A 28 -3.927 18.569 -8.802 1.00 0.00 C ATOM 449 O GLU A 28 -3.205 18.745 -7.821 1.00 0.00 O ATOM 450 CB GLU A 28 -6.280 18.926 -8.105 1.00 0.00 C ATOM 451 CG GLU A 28 -7.656 19.601 -8.264 1.00 0.00 C ATOM 452 CD GLU A 28 -7.766 20.910 -7.495 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.639 20.822 -6.250 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.026 21.936 -8.155 1.00 0.00 O ATOM 0 H GLU A 28 -5.976 18.291 -10.548 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.932 20.488 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.401 17.856 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.952 19.053 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.842 19.790 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.432 18.917 -7.921 1.00 0.00 H new ATOM 461 N VAL A 29 -3.704 17.573 -9.673 1.00 0.00 N ATOM 462 CA VAL A 29 -2.730 16.517 -9.457 1.00 0.00 C ATOM 463 C VAL A 29 -1.349 17.110 -9.196 1.00 0.00 C ATOM 464 O VAL A 29 -0.676 16.688 -8.259 1.00 0.00 O ATOM 465 CB VAL A 29 -2.851 15.440 -10.570 1.00 0.00 C ATOM 466 CG1 VAL A 29 -1.891 15.673 -11.733 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.697 13.998 -10.052 1.00 0.00 C ATOM 0 H VAL A 29 -4.207 17.486 -10.556 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.937 15.961 -8.543 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.871 15.554 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.024 14.888 -12.477 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.098 16.642 -12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.865 15.656 -11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.793 13.300 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.717 13.880 -9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.472 13.792 -9.314 1.00 0.00 H new ATOM 477 N LYS A 30 -0.960 18.149 -9.942 1.00 0.00 N ATOM 478 CA LYS A 30 0.351 18.791 -9.837 1.00 0.00 C ATOM 479 C LYS A 30 0.661 19.315 -8.446 1.00 0.00 C ATOM 480 O LYS A 30 1.824 19.327 -8.044 1.00 0.00 O ATOM 481 CB LYS A 30 0.372 20.004 -10.769 1.00 0.00 C ATOM 482 CG LYS A 30 0.694 19.572 -12.198 1.00 0.00 C ATOM 483 CD LYS A 30 0.739 20.807 -13.089 1.00 0.00 C ATOM 484 CE LYS A 30 1.411 20.459 -14.431 1.00 0.00 C ATOM 485 NZ LYS A 30 1.488 21.666 -15.288 1.00 0.00 N ATOM 0 H LYS A 30 -1.560 18.574 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 30 1.088 18.030 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.595 20.507 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.115 20.723 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.651 19.051 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.061 18.874 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.271 21.178 -13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.290 21.605 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.411 20.064 -14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.845 19.678 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.943 21.422 -16.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.529 22.025 -15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.047 22.399 -14.806 1.00 0.00 H new ATOM 499 N GLU A 31 -0.369 19.782 -7.756 1.00 0.00 N ATOM 500 CA GLU A 31 -0.230 20.511 -6.508 1.00 0.00 C ATOM 501 C GLU A 31 -0.191 19.516 -5.334 1.00 0.00 C ATOM 502 O GLU A 31 0.003 19.905 -4.184 1.00 0.00 O ATOM 503 CB GLU A 31 -1.386 21.535 -6.446 1.00 0.00 C ATOM 504 CG GLU A 31 -1.273 22.603 -7.571 1.00 0.00 C ATOM 505 CD GLU A 31 -0.941 24.006 -7.033 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.630 24.477 -6.101 1.00 0.00 O ATOM 507 OE2 GLU A 31 0.025 24.602 -7.564 1.00 0.00 O ATOM 0 H GLU A 31 -1.337 19.663 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 31 0.706 21.066 -6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.339 21.013 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.382 22.029 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.501 22.298 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.212 22.644 -8.122 1.00 0.00 H new ATOM 514 N ARG A 32 -0.424 18.216 -5.586 1.00 0.00 N ATOM 515 CA ARG A 32 -0.959 17.337 -4.541 1.00 0.00 C ATOM 516 C ARG A 32 -0.517 15.894 -4.621 1.00 0.00 C ATOM 517 O ARG A 32 -0.552 15.185 -3.615 1.00 0.00 O ATOM 518 CB ARG A 32 -2.466 17.358 -4.754 1.00 0.00 C ATOM 519 CG ARG A 32 -3.265 17.040 -3.497 1.00 0.00 C ATOM 520 CD ARG A 32 -4.725 17.084 -3.979 1.00 0.00 C ATOM 521 NE ARG A 32 -5.723 17.429 -2.940 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.991 17.825 -3.221 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.362 17.999 -4.490 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.880 18.096 -2.253 1.00 0.00 N ATOM 0 H ARG A 32 -0.254 17.762 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.605 17.701 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.759 18.342 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.725 16.638 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.005 16.062 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.080 17.770 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.802 17.810 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.982 16.111 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.443 17.366 -1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.695 17.835 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.313 18.296 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.610 18.007 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.825 18.391 -2.497 1.00 0.00 H new ATOM 538 N ILE A 33 -0.153 15.427 -5.809 1.00 0.00 N ATOM 539 CA ILE A 33 0.345 14.079 -5.944 1.00 0.00 C ATOM 540 C ILE A 33 1.568 13.910 -5.042 1.00 0.00 C ATOM 541 O ILE A 33 1.690 12.880 -4.393 1.00 0.00 O ATOM 542 CB ILE A 33 0.616 13.746 -7.421 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.951 12.248 -7.562 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.732 14.621 -8.034 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.191 11.304 -7.160 1.00 0.00 C ATOM 0 H ILE A 33 -0.195 15.960 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.404 13.359 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.291 13.971 -7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.227 12.045 -8.597 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.824 12.024 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.881 14.343 -9.077 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.445 15.671 -7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.659 14.468 -7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.129 10.270 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.454 11.475 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.060 11.496 -7.789 1.00 0.00 H new ATOM 557 N ALA A 34 2.391 14.960 -4.910 1.00 0.00 N ATOM 558 CA ALA A 34 3.558 14.967 -4.041 1.00 0.00 C ATOM 559 C ALA A 34 3.190 14.741 -2.568 1.00 0.00 C ATOM 560 O ALA A 34 4.023 14.267 -1.805 1.00 0.00 O ATOM 561 CB ALA A 34 4.303 16.298 -4.199 1.00 0.00 C ATOM 0 H ALA A 34 2.256 15.836 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 34 4.201 14.139 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.178 16.305 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.620 16.417 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.641 17.120 -3.926 1.00 0.00 H new ATOM 567 N THR A 35 1.968 15.084 -2.158 1.00 0.00 N ATOM 568 CA THR A 35 1.500 14.928 -0.789 1.00 0.00 C ATOM 569 C THR A 35 0.889 13.536 -0.605 1.00 0.00 C ATOM 570 O THR A 35 1.071 12.923 0.443 1.00 0.00 O ATOM 571 CB THR A 35 0.459 16.025 -0.458 1.00 0.00 C ATOM 572 OG1 THR A 35 0.692 17.211 -1.214 1.00 0.00 O ATOM 573 CG2 THR A 35 0.473 16.338 1.045 1.00 0.00 C ATOM 0 H THR A 35 1.267 15.484 -2.782 1.00 0.00 H new ATOM 0 HA THR A 35 2.343 15.033 -0.106 1.00 0.00 H new ATOM 0 HB THR A 35 -0.525 15.644 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.017 17.884 -0.984 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.264 17.111 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.230 15.436 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.463 16.689 1.334 1.00 0.00 H new ATOM 581 N ALA A 36 0.149 13.044 -1.607 1.00 0.00 N ATOM 582 CA ALA A 36 -0.512 11.743 -1.565 1.00 0.00 C ATOM 583 C ALA A 36 0.475 10.583 -1.753 1.00 0.00 C ATOM 584 O ALA A 36 0.248 9.498 -1.225 1.00 0.00 O ATOM 585 CB ALA A 36 -1.571 11.706 -2.667 1.00 0.00 C ATOM 0 H ALA A 36 -0.007 13.549 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.966 11.618 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.077 10.741 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.299 12.500 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.093 11.851 -3.636 1.00 0.00 H new ATOM 591 N VAL A 37 1.540 10.811 -2.523 1.00 0.00 N ATOM 592 CA VAL A 37 2.519 9.826 -2.951 1.00 0.00 C ATOM 593 C VAL A 37 3.903 10.507 -2.874 1.00 0.00 C ATOM 594 O VAL A 37 4.440 10.962 -3.894 1.00 0.00 O ATOM 595 CB VAL A 37 2.164 9.290 -4.357 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.072 8.090 -4.632 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.700 8.835 -4.518 1.00 0.00 C ATOM 0 H VAL A 37 1.749 11.743 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 37 2.527 8.946 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 37 2.306 10.112 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.849 7.684 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.114 8.407 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.900 7.323 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.541 8.475 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.488 8.033 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.034 9.676 -4.323 1.00 0.00 H new ATOM 607 N PRO A 38 4.453 10.681 -1.651 1.00 0.00 N ATOM 608 CA PRO A 38 5.678 11.449 -1.435 1.00 0.00 C ATOM 609 C PRO A 38 6.928 10.749 -1.991 1.00 0.00 C ATOM 610 O PRO A 38 7.950 11.410 -2.182 1.00 0.00 O ATOM 611 CB PRO A 38 5.779 11.657 0.084 1.00 0.00 C ATOM 612 CG PRO A 38 4.995 10.485 0.675 1.00 0.00 C ATOM 613 CD PRO A 38 3.916 10.213 -0.374 1.00 0.00 C ATOM 0 HA PRO A 38 5.632 12.396 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.816 11.652 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.352 12.614 0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.632 9.614 0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.560 10.740 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.678 9.150 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.993 10.736 -0.126 1.00 0.00 H new ATOM 621 N ASP A 39 6.850 9.436 -2.258 1.00 0.00 N ATOM 622 CA ASP A 39 7.933 8.623 -2.803 1.00 0.00 C ATOM 623 C ASP A 39 7.507 8.190 -4.199 1.00 0.00 C ATOM 624 O ASP A 39 6.445 7.605 -4.399 1.00 0.00 O ATOM 625 CB ASP A 39 8.239 7.378 -1.948 1.00 0.00 C ATOM 626 CG ASP A 39 9.339 6.497 -2.578 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.038 6.998 -3.493 1.00 0.00 O ATOM 628 OD2 ASP A 39 9.461 5.322 -2.168 1.00 0.00 O ATOM 0 H ASP A 39 5.999 8.899 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 39 8.847 9.217 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.552 7.691 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.329 6.790 -1.826 1.00 0.00 H new ATOM 633 N LYS A 40 8.348 8.527 -5.164 1.00 0.00 N ATOM 634 CA LYS A 40 8.113 8.335 -6.584 1.00 0.00 C ATOM 635 C LYS A 40 8.170 6.893 -7.005 1.00 0.00 C ATOM 636 O LYS A 40 7.672 6.575 -8.085 1.00 0.00 O ATOM 637 CB LYS A 40 9.234 8.989 -7.383 1.00 0.00 C ATOM 638 CG LYS A 40 9.739 10.295 -6.770 1.00 0.00 C ATOM 639 CD LYS A 40 10.628 11.009 -7.788 1.00 0.00 C ATOM 640 CE LYS A 40 9.981 12.359 -8.156 1.00 0.00 C ATOM 641 NZ LYS A 40 10.830 13.136 -9.113 1.00 0.00 N ATOM 0 H LYS A 40 9.251 8.960 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 40 7.124 8.756 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.066 8.290 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.881 9.185 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.898 10.931 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.299 10.091 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.623 11.169 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.749 10.394 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.000 12.184 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.822 12.945 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.220 13.650 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.415 13.815 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.446 12.484 -9.639 1.00 0.00 H new ATOM 655 N ASN A 41 8.933 6.119 -6.235 1.00 0.00 N ATOM 656 CA ASN A 41 9.165 4.727 -6.529 1.00 0.00 C ATOM 657 C ASN A 41 7.874 3.946 -6.253 1.00 0.00 C ATOM 658 O ASN A 41 7.764 2.796 -6.672 1.00 0.00 O ATOM 659 CB ASN A 41 10.374 4.249 -5.709 1.00 0.00 C ATOM 660 CG ASN A 41 10.580 2.733 -5.747 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.174 2.167 -6.666 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.154 2.063 -4.681 1.00 0.00 N ATOM 0 H ASN A 41 9.403 6.450 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 41 9.412 4.561 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.273 4.739 -6.084 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.247 4.564 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.317 1.058 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.664 2.553 -3.933 1.00 0.00 H new ATOM 669 N ASP A 42 6.903 4.544 -5.542 1.00 0.00 N ATOM 670 CA ASP A 42 5.631 3.892 -5.262 1.00 0.00 C ATOM 671 C ASP A 42 4.805 3.740 -6.544 1.00 0.00 C ATOM 672 O ASP A 42 4.870 4.590 -7.435 1.00 0.00 O ATOM 673 CB ASP A 42 4.825 4.634 -4.188 1.00 0.00 C ATOM 674 CG ASP A 42 3.630 3.749 -3.818 1.00 0.00 C ATOM 675 OD1 ASP A 42 3.900 2.666 -3.240 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.491 4.042 -4.238 1.00 0.00 O ATOM 0 H ASP A 42 6.985 5.483 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 42 5.859 2.901 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.443 4.830 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.486 5.600 -4.562 1.00 0.00 H new ATOM 681 N THR A 43 4.029 2.662 -6.657 1.00 0.00 N ATOM 682 CA THR A 43 3.233 2.374 -7.840 1.00 0.00 C ATOM 683 C THR A 43 1.911 3.171 -7.820 1.00 0.00 C ATOM 684 O THR A 43 1.004 2.939 -7.013 1.00 0.00 O ATOM 685 CB THR A 43 2.962 0.864 -7.932 1.00 0.00 C ATOM 686 OG1 THR A 43 4.087 0.050 -7.654 1.00 0.00 O ATOM 687 CG2 THR A 43 2.482 0.481 -9.334 1.00 0.00 C ATOM 0 H THR A 43 3.938 1.961 -5.922 1.00 0.00 H new ATOM 0 HA THR A 43 3.792 2.683 -8.723 1.00 0.00 H new ATOM 0 HB THR A 43 2.204 0.682 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.111 -0.160 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.297 -0.592 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.561 1.017 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.246 0.745 -10.065 1.00 0.00 H new ATOM 695 N VAL A 44 1.734 4.041 -8.812 1.00 0.00 N ATOM 696 CA VAL A 44 0.581 4.924 -8.880 1.00 0.00 C ATOM 697 C VAL A 44 -0.362 4.377 -9.949 1.00 0.00 C ATOM 698 O VAL A 44 -0.044 4.420 -11.138 1.00 0.00 O ATOM 699 CB VAL A 44 1.033 6.370 -9.164 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.141 7.310 -8.895 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.177 6.840 -8.255 1.00 0.00 C ATOM 0 H VAL A 44 2.387 4.151 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 44 0.049 4.955 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 44 1.376 6.388 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.164 8.338 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.974 7.047 -9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.451 7.216 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.445 7.865 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.856 6.796 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.043 6.193 -8.396 1.00 0.00 H new ATOM 711 N LYS A 45 -1.525 3.855 -9.563 1.00 0.00 N ATOM 712 CA LYS A 45 -2.514 3.358 -10.511 1.00 0.00 C ATOM 713 C LYS A 45 -3.499 4.481 -10.743 1.00 0.00 C ATOM 714 O LYS A 45 -4.135 4.910 -9.781 1.00 0.00 O ATOM 715 CB LYS A 45 -3.177 2.091 -9.960 1.00 0.00 C ATOM 716 CG LYS A 45 -2.101 1.013 -9.777 1.00 0.00 C ATOM 717 CD LYS A 45 -2.592 -0.364 -10.227 1.00 0.00 C ATOM 718 CE LYS A 45 -1.398 -1.302 -10.070 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.819 -2.707 -9.898 1.00 0.00 N ATOM 0 H LYS A 45 -1.805 3.766 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.064 3.073 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.665 2.303 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.950 1.741 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.213 1.286 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.806 0.969 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.434 -0.697 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.936 -0.338 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.755 -1.221 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.805 -0.993 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.031 -3.338 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.092 -2.869 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.630 -2.905 -10.518 1.00 0.00 H new ATOM 733 N VAL A 46 -3.630 4.951 -11.977 1.00 0.00 N ATOM 734 CA VAL A 46 -4.498 6.068 -12.306 1.00 0.00 C ATOM 735 C VAL A 46 -5.637 5.542 -13.162 1.00 0.00 C ATOM 736 O VAL A 46 -5.437 4.694 -14.039 1.00 0.00 O ATOM 737 CB VAL A 46 -3.702 7.233 -12.942 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.827 7.905 -11.876 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.792 6.838 -14.120 1.00 0.00 C ATOM 0 H VAL A 46 -3.134 4.564 -12.780 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.933 6.504 -11.407 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.462 7.904 -13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.268 8.725 -12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.460 8.294 -11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.131 7.175 -11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.278 7.723 -14.496 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.057 6.107 -13.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.396 6.404 -14.917 1.00 0.00 H new ATOM 749 N TYR A 47 -6.847 6.047 -12.946 1.00 0.00 N ATOM 750 CA TYR A 47 -7.988 5.800 -13.818 1.00 0.00 C ATOM 751 C TYR A 47 -8.910 7.020 -13.775 1.00 0.00 C ATOM 752 O TYR A 47 -8.711 7.947 -12.987 1.00 0.00 O ATOM 753 CB TYR A 47 -8.716 4.501 -13.447 1.00 0.00 C ATOM 754 CG TYR A 47 -9.364 4.542 -12.087 1.00 0.00 C ATOM 755 CD1 TYR A 47 -10.687 4.994 -11.963 1.00 0.00 C ATOM 756 CD2 TYR A 47 -8.609 4.215 -10.945 1.00 0.00 C ATOM 757 CE1 TYR A 47 -11.248 5.135 -10.689 1.00 0.00 C ATOM 758 CE2 TYR A 47 -9.171 4.372 -9.657 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.507 4.841 -9.528 1.00 0.00 C ATOM 760 OH TYR A 47 -11.150 5.036 -8.328 1.00 0.00 O ATOM 0 H TYR A 47 -7.065 6.647 -12.150 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.641 5.658 -14.842 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.479 4.294 -14.198 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.006 3.675 -13.478 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.267 5.231 -12.843 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.600 3.844 -11.052 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.268 5.476 -10.594 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.590 4.137 -8.778 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.616 5.634 -7.764 1.00 0.00 H new ATOM 770 N CYS A 48 -9.917 7.022 -14.648 1.00 0.00 N ATOM 771 CA CYS A 48 -10.939 8.049 -14.729 1.00 0.00 C ATOM 772 C CYS A 48 -12.092 7.525 -15.595 1.00 0.00 C ATOM 773 O CYS A 48 -12.102 6.369 -16.045 1.00 0.00 O ATOM 774 CB CYS A 48 -10.322 9.320 -15.342 1.00 0.00 C ATOM 775 SG CYS A 48 -9.803 9.082 -17.045 1.00 0.00 S ATOM 0 H CYS A 48 -10.042 6.282 -15.338 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.325 8.294 -13.739 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.049 10.131 -15.297 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.464 9.628 -14.744 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.703 8.390 -17.071 1.00 0.00 H new ATOM 781 N ASN A 49 -13.035 8.408 -15.929 1.00 0.00 N ATOM 782 CA ASN A 49 -13.940 8.207 -17.057 1.00 0.00 C ATOM 783 C ASN A 49 -13.099 8.246 -18.323 1.00 0.00 C ATOM 784 O ASN A 49 -12.683 9.362 -18.735 1.00 0.00 O ATOM 785 CB ASN A 49 -15.078 9.270 -16.971 1.00 0.00 C ATOM 786 CG ASN A 49 -16.263 9.063 -17.923 1.00 0.00 C ATOM 787 OD1 ASN A 49 -16.827 10.023 -18.414 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.739 7.842 -18.148 1.00 0.00 N ATOM 0 H ASN A 49 -13.191 9.281 -15.425 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.446 7.242 -17.051 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.457 9.286 -15.949 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.647 10.252 -17.167 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.569 7.717 -18.727 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.274 7.030 -17.741 1.00 0.00 H new ATOM 795 N ALA A 50 -12.913 6.961 -18.857 1.00 0.00 N ATOM 796 CA ALA A 50 -12.608 6.865 -20.325 1.00 0.00 C ATOM 797 C ALA A 50 -11.113 7.024 -20.592 1.00 0.00 C ATOM 798 O ALA A 50 -10.680 7.082 -21.740 1.00 0.00 O ATOM 799 CB ALA A 50 -13.449 7.780 -21.243 1.00 0.00 C ATOM 0 H ALA A 50 -12.965 6.081 -18.344 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.915 5.856 -20.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.148 7.631 -22.280 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.505 7.534 -21.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.288 8.821 -20.965 1.00 0.00 H new ATOM 805 N GLY A 51 -10.331 7.098 -19.511 1.00 0.00 N ATOM 806 CA GLY A 51 -8.888 6.882 -19.527 1.00 0.00 C ATOM 807 C GLY A 51 -8.103 8.170 -19.724 1.00 0.00 C ATOM 808 O GLY A 51 -6.909 8.214 -19.457 1.00 0.00 O ATOM 0 H GLY A 51 -10.695 7.314 -18.583 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.584 6.416 -18.590 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.638 6.184 -20.326 1.00 0.00 H new ATOM 812 N ARG A 52 -8.763 9.244 -20.153 1.00 0.00 N ATOM 813 CA ARG A 52 -8.055 10.430 -20.661 1.00 0.00 C ATOM 814 C ARG A 52 -7.277 11.154 -19.606 1.00 0.00 C ATOM 815 O ARG A 52 -6.094 11.419 -19.779 1.00 0.00 O ATOM 816 CB ARG A 52 -9.070 11.428 -21.192 1.00 0.00 C ATOM 817 CG ARG A 52 -9.695 10.834 -22.442 1.00 0.00 C ATOM 818 CD ARG A 52 -8.951 11.236 -23.720 1.00 0.00 C ATOM 819 NE ARG A 52 -10.007 11.715 -24.681 1.00 0.00 N ATOM 820 CZ ARG A 52 -10.949 10.873 -25.208 1.00 0.00 C ATOM 821 NH1 ARG A 52 -10.747 9.546 -25.259 1.00 0.00 N ATOM 822 NH2 ARG A 52 -12.128 11.330 -25.694 1.00 0.00 N ATOM 0 H ARG A 52 -9.780 9.323 -20.162 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.368 10.065 -21.425 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.835 11.631 -20.442 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.588 12.378 -21.421 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.704 9.747 -22.358 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.734 11.157 -22.513 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.223 12.021 -23.517 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.401 10.391 -24.134 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.021 12.699 -24.948 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.879 9.148 -24.901 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.462 8.936 -25.656 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.335 12.329 -25.674 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.809 10.676 -26.080 1.00 0.00 H new ATOM 836 N GLN A 53 -7.977 11.463 -18.520 1.00 0.00 N ATOM 837 CA GLN A 53 -7.384 12.188 -17.436 1.00 0.00 C ATOM 838 C GLN A 53 -6.220 11.327 -16.899 1.00 0.00 C ATOM 839 O GLN A 53 -5.222 11.879 -16.466 1.00 0.00 O ATOM 840 CB GLN A 53 -8.465 12.557 -16.394 1.00 0.00 C ATOM 841 CG GLN A 53 -9.423 13.748 -16.718 1.00 0.00 C ATOM 842 CD GLN A 53 -10.815 13.478 -17.343 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.803 14.087 -16.942 1.00 0.00 O ATOM 844 NE2 GLN A 53 -10.923 12.573 -18.305 1.00 0.00 N ATOM 0 H GLN A 53 -8.957 11.216 -18.380 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.966 13.147 -17.744 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.079 11.673 -16.223 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.960 12.781 -15.455 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.586 14.294 -15.789 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.890 14.418 -17.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.095 12.073 -18.630 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.834 12.376 -18.720 1.00 0.00 H new ATOM 853 N SER A 54 -6.292 9.994 -17.000 1.00 0.00 N ATOM 854 CA SER A 54 -5.221 9.102 -16.590 1.00 0.00 C ATOM 855 C SER A 54 -4.038 9.134 -17.543 1.00 0.00 C ATOM 856 O SER A 54 -2.913 9.217 -17.065 1.00 0.00 O ATOM 857 CB SER A 54 -5.735 7.669 -16.507 1.00 0.00 C ATOM 858 OG SER A 54 -7.120 7.604 -16.243 1.00 0.00 O ATOM 0 H SER A 54 -7.107 9.508 -17.373 1.00 0.00 H new ATOM 0 HA SER A 54 -4.883 9.450 -15.614 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.523 7.156 -17.445 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.194 7.138 -15.724 1.00 0.00 H new ATOM 0 HG SER A 54 -7.517 6.869 -16.755 1.00 0.00 H new ATOM 864 N GLY A 55 -4.266 9.075 -18.860 1.00 0.00 N ATOM 865 CA GLY A 55 -3.200 9.131 -19.845 1.00 0.00 C ATOM 866 C GLY A 55 -2.459 10.461 -19.697 1.00 0.00 C ATOM 867 O GLY A 55 -1.242 10.471 -19.585 1.00 0.00 O ATOM 0 H GLY A 55 -5.198 8.987 -19.265 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.511 8.298 -19.703 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.610 9.038 -20.850 1.00 0.00 H new ATOM 871 N GLN A 56 -3.211 11.557 -19.572 1.00 0.00 N ATOM 872 CA GLN A 56 -2.706 12.908 -19.345 1.00 0.00 C ATOM 873 C GLN A 56 -1.960 13.019 -18.015 1.00 0.00 C ATOM 874 O GLN A 56 -0.874 13.599 -17.954 1.00 0.00 O ATOM 875 CB GLN A 56 -3.900 13.889 -19.367 1.00 0.00 C ATOM 876 CG GLN A 56 -4.292 14.220 -20.829 1.00 0.00 C ATOM 877 CD GLN A 56 -5.518 15.153 -21.044 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.517 14.998 -20.300 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.424 15.992 -22.141 1.00 0.00 N ATOM 0 H GLN A 56 -4.229 11.523 -19.629 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.995 13.154 -20.134 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.750 13.450 -18.845 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.638 14.805 -18.837 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.430 14.678 -21.314 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.487 13.281 -21.347 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.557 16.037 -22.676 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.222 16.565 -22.415 1.00 0.00 H new ATOM 888 N ALA A 57 -2.532 12.469 -16.939 1.00 0.00 N ATOM 889 CA ALA A 57 -1.869 12.503 -15.650 1.00 0.00 C ATOM 890 C ALA A 57 -0.562 11.733 -15.774 1.00 0.00 C ATOM 891 O ALA A 57 0.459 12.146 -15.243 1.00 0.00 O ATOM 892 CB ALA A 57 -2.749 11.907 -14.552 1.00 0.00 C ATOM 0 H ALA A 57 -3.440 12.003 -16.942 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.673 13.537 -15.367 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.221 11.949 -13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.675 12.477 -14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.980 10.869 -14.794 1.00 0.00 H new ATOM 898 N LYS A 58 -0.564 10.629 -16.521 1.00 0.00 N ATOM 899 CA LYS A 58 0.625 9.832 -16.711 1.00 0.00 C ATOM 900 C LYS A 58 1.762 10.653 -17.336 1.00 0.00 C ATOM 901 O LYS A 58 2.895 10.506 -16.890 1.00 0.00 O ATOM 902 CB LYS A 58 0.263 8.576 -17.516 1.00 0.00 C ATOM 903 CG LYS A 58 1.440 7.615 -17.401 1.00 0.00 C ATOM 904 CD LYS A 58 1.280 6.265 -18.095 1.00 0.00 C ATOM 905 CE LYS A 58 2.637 5.558 -17.862 1.00 0.00 C ATOM 906 NZ LYS A 58 2.962 4.534 -18.906 1.00 0.00 N ATOM 0 H LYS A 58 -1.389 10.273 -17.004 1.00 0.00 H new ATOM 0 HA LYS A 58 1.010 9.508 -15.744 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.647 8.119 -17.128 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.073 8.829 -18.559 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.324 8.106 -17.808 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.633 7.435 -16.343 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.455 5.694 -17.670 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.070 6.385 -19.158 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.429 6.307 -17.839 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.624 5.077 -16.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.882 4.099 -18.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.225 3.800 -18.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.005 4.991 -19.839 1.00 0.00 H new ATOM 920 N GLU A 59 1.492 11.498 -18.333 1.00 0.00 N ATOM 921 CA GLU A 59 2.516 12.323 -18.977 1.00 0.00 C ATOM 922 C GLU A 59 3.179 13.239 -17.945 1.00 0.00 C ATOM 923 O GLU A 59 4.392 13.173 -17.744 1.00 0.00 O ATOM 924 CB GLU A 59 1.924 13.125 -20.158 1.00 0.00 C ATOM 925 CG GLU A 59 1.410 12.207 -21.286 1.00 0.00 C ATOM 926 CD GLU A 59 1.164 12.946 -22.614 1.00 0.00 C ATOM 927 OE1 GLU A 59 0.051 13.497 -22.782 1.00 0.00 O ATOM 928 OE2 GLU A 59 2.098 12.942 -23.448 1.00 0.00 O ATOM 0 H GLU A 59 0.556 11.630 -18.717 1.00 0.00 H new ATOM 0 HA GLU A 59 3.283 11.668 -19.390 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.106 13.748 -19.798 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.685 13.797 -20.556 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.133 11.409 -21.452 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.482 11.734 -20.965 1.00 0.00 H new ATOM 935 N ILE A 60 2.385 14.053 -17.243 1.00 0.00 N ATOM 936 CA ILE A 60 2.923 15.056 -16.326 1.00 0.00 C ATOM 937 C ILE A 60 3.612 14.377 -15.138 1.00 0.00 C ATOM 938 O ILE A 60 4.599 14.896 -14.632 1.00 0.00 O ATOM 939 CB ILE A 60 1.836 16.071 -15.896 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.709 15.398 -15.088 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.273 16.804 -17.134 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.447 16.317 -14.704 1.00 0.00 C ATOM 0 H ILE A 60 1.366 14.035 -17.294 1.00 0.00 H new ATOM 0 HA ILE A 60 3.684 15.637 -16.848 1.00 0.00 H new ATOM 0 HB ILE A 60 2.303 16.804 -15.238 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.313 14.565 -15.669 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.136 14.977 -14.178 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.509 17.515 -16.820 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.079 17.336 -17.639 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.833 16.078 -17.818 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.188 15.752 -14.139 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.072 17.137 -14.092 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.908 16.719 -15.606 1.00 0.00 H new ATOM 954 N LEU A 61 3.136 13.203 -14.711 1.00 0.00 N ATOM 955 CA LEU A 61 3.738 12.476 -13.608 1.00 0.00 C ATOM 956 C LEU A 61 5.082 11.882 -14.010 1.00 0.00 C ATOM 957 O LEU A 61 6.027 12.005 -13.230 1.00 0.00 O ATOM 958 CB LEU A 61 2.794 11.385 -13.099 1.00 0.00 C ATOM 959 CG LEU A 61 1.542 11.906 -12.370 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.632 10.729 -12.002 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.906 12.665 -11.099 1.00 0.00 C ATOM 0 H LEU A 61 2.327 12.739 -15.123 1.00 0.00 H new ATOM 0 HA LEU A 61 3.913 13.183 -12.797 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.478 10.774 -13.944 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.346 10.732 -12.423 1.00 0.00 H new ATOM 0 HG LEU A 61 1.027 12.590 -13.045 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.253 11.101 -11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.330 10.205 -12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.171 10.043 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.996 13.017 -10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.447 12.003 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.536 13.518 -11.352 1.00 0.00 H new ATOM 973 N SER A 62 5.205 11.315 -15.217 1.00 0.00 N ATOM 974 CA SER A 62 6.504 10.913 -15.747 1.00 0.00 C ATOM 975 C SER A 62 7.441 12.125 -15.781 1.00 0.00 C ATOM 976 O SER A 62 8.601 11.985 -15.393 1.00 0.00 O ATOM 977 CB SER A 62 6.385 10.300 -17.149 1.00 0.00 C ATOM 978 OG SER A 62 5.594 9.122 -17.185 1.00 0.00 O ATOM 0 H SER A 62 4.420 11.127 -15.840 1.00 0.00 H new ATOM 0 HA SER A 62 6.913 10.146 -15.089 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.954 11.039 -17.825 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.383 10.070 -17.523 1.00 0.00 H new ATOM 0 HG SER A 62 4.647 9.361 -17.099 1.00 0.00 H new ATOM 984 N GLU A 63 6.949 13.305 -16.180 1.00 0.00 N ATOM 985 CA GLU A 63 7.784 14.505 -16.247 1.00 0.00 C ATOM 986 C GLU A 63 8.215 14.945 -14.838 1.00 0.00 C ATOM 987 O GLU A 63 9.373 15.289 -14.608 1.00 0.00 O ATOM 988 CB GLU A 63 7.081 15.638 -17.017 1.00 0.00 C ATOM 989 CG GLU A 63 8.122 16.638 -17.567 1.00 0.00 C ATOM 990 CD GLU A 63 7.534 17.495 -18.706 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.646 18.337 -18.421 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.955 17.263 -19.862 1.00 0.00 O ATOM 0 H GLU A 63 5.979 13.451 -16.460 1.00 0.00 H new ATOM 0 HA GLU A 63 8.687 14.261 -16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.498 15.221 -17.838 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.382 16.155 -16.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.466 17.287 -16.762 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.993 16.094 -17.932 1.00 0.00 H new ATOM 999 N MET A 64 7.319 14.845 -13.848 1.00 0.00 N ATOM 1000 CA MET A 64 7.618 15.106 -12.440 1.00 0.00 C ATOM 1001 C MET A 64 8.569 14.043 -11.865 1.00 0.00 C ATOM 1002 O MET A 64 9.105 14.217 -10.765 1.00 0.00 O ATOM 1003 CB MET A 64 6.299 15.190 -11.652 1.00 0.00 C ATOM 1004 CG MET A 64 5.495 16.451 -12.011 1.00 0.00 C ATOM 1005 SD MET A 64 3.809 16.516 -11.325 1.00 0.00 S ATOM 1006 CE MET A 64 4.205 16.741 -9.570 1.00 0.00 C ATOM 0 H MET A 64 6.349 14.575 -14.009 1.00 0.00 H new ATOM 0 HA MET A 64 8.137 16.060 -12.350 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.697 14.305 -11.857 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.514 15.189 -10.583 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.046 17.325 -11.663 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.432 16.525 -13.097 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.282 16.837 -8.998 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.766 15.879 -9.210 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.805 17.642 -9.445 1.00 0.00 H new ATOM 1016 N GLY A 65 8.815 12.962 -12.606 1.00 0.00 N ATOM 1017 CA GLY A 65 9.811 11.948 -12.316 1.00 0.00 C ATOM 1018 C GLY A 65 9.238 10.722 -11.601 1.00 0.00 C ATOM 1019 O GLY A 65 10.021 9.977 -11.014 1.00 0.00 O ATOM 0 H GLY A 65 8.297 12.767 -13.463 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.278 11.631 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.596 12.386 -11.699 1.00 0.00 H new ATOM 1023 N TYR A 66 7.914 10.547 -11.544 1.00 0.00 N ATOM 1024 CA TYR A 66 7.331 9.271 -11.134 1.00 0.00 C ATOM 1025 C TYR A 66 7.598 8.268 -12.246 1.00 0.00 C ATOM 1026 O TYR A 66 7.290 8.550 -13.401 1.00 0.00 O ATOM 1027 CB TYR A 66 5.821 9.394 -10.905 1.00 0.00 C ATOM 1028 CG TYR A 66 5.467 10.171 -9.656 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.308 11.566 -9.706 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.371 9.497 -8.424 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.080 12.285 -8.524 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.131 10.220 -7.228 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.989 11.636 -7.276 1.00 0.00 C ATOM 1034 OH TYR A 66 4.787 12.444 -6.185 1.00 0.00 O ATOM 0 H TYR A 66 7.232 11.269 -11.775 1.00 0.00 H new ATOM 0 HA TYR A 66 7.779 8.950 -10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.368 9.881 -11.768 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.388 8.396 -10.839 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.361 12.083 -10.653 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.481 8.423 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.972 13.359 -8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.056 9.699 -6.285 1.00 0.00 H new ATOM 0 HH TYR A 66 4.706 11.892 -5.379 1.00 0.00 H new ATOM 1044 N THR A 67 8.124 7.093 -11.915 1.00 0.00 N ATOM 1045 CA THR A 67 8.581 6.117 -12.903 1.00 0.00 C ATOM 1046 C THR A 67 7.647 4.883 -12.960 1.00 0.00 C ATOM 1047 O THR A 67 7.823 4.021 -13.820 1.00 0.00 O ATOM 1048 CB THR A 67 10.074 5.809 -12.601 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.338 5.775 -11.200 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.003 6.915 -13.144 1.00 0.00 C ATOM 0 H THR A 67 8.247 6.788 -10.949 1.00 0.00 H new ATOM 0 HA THR A 67 8.526 6.515 -13.916 1.00 0.00 H new ATOM 0 HB THR A 67 10.262 4.845 -13.073 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.286 5.577 -11.050 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.039 6.665 -12.914 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.880 6.996 -14.224 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.747 7.866 -12.678 1.00 0.00 H new ATOM 1058 N HIS A 68 6.604 4.825 -12.114 1.00 0.00 N ATOM 1059 CA HIS A 68 5.761 3.647 -11.873 1.00 0.00 C ATOM 1060 C HIS A 68 4.281 4.031 -11.946 1.00 0.00 C ATOM 1061 O HIS A 68 3.464 3.522 -11.182 1.00 0.00 O ATOM 1062 CB HIS A 68 6.096 3.016 -10.504 1.00 0.00 C ATOM 1063 CG HIS A 68 7.573 2.785 -10.252 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.289 1.604 -10.348 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.463 3.736 -9.832 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.556 1.852 -9.980 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.724 3.149 -9.699 1.00 0.00 N ATOM 0 H HIS A 68 6.316 5.631 -11.559 1.00 0.00 H new ATOM 0 HA HIS A 68 5.963 2.907 -12.648 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.705 3.661 -9.717 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.575 2.062 -10.423 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.229 4.772 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.334 1.106 -9.919 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.594 3.614 -9.441 1.00 0.00 H new ATOM 1075 N VAL A 69 3.928 4.976 -12.814 1.00 0.00 N ATOM 1076 CA VAL A 69 2.530 5.321 -13.021 1.00 0.00 C ATOM 1077 C VAL A 69 1.999 4.342 -14.063 1.00 0.00 C ATOM 1078 O VAL A 69 2.676 4.089 -15.063 1.00 0.00 O ATOM 1079 CB VAL A 69 2.378 6.789 -13.444 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.888 7.170 -13.522 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.107 7.709 -12.457 1.00 0.00 C ATOM 0 H VAL A 69 4.587 5.511 -13.380 1.00 0.00 H new ATOM 0 HA VAL A 69 1.951 5.234 -12.101 1.00 0.00 H new ATOM 0 HB VAL A 69 2.825 6.913 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.795 8.213 -13.823 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.388 6.535 -14.253 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.425 7.031 -12.545 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.989 8.746 -12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.684 7.582 -11.461 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.167 7.454 -12.437 1.00 0.00 H new ATOM 1091 N GLU A 70 0.780 3.849 -13.872 1.00 0.00 N ATOM 1092 CA GLU A 70 0.127 2.911 -14.764 1.00 0.00 C ATOM 1093 C GLU A 70 -1.348 3.283 -14.860 1.00 0.00 C ATOM 1094 O GLU A 70 -2.018 3.490 -13.847 1.00 0.00 O ATOM 1095 CB GLU A 70 0.324 1.488 -14.239 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.292 0.468 -15.214 1.00 0.00 C ATOM 1097 CD GLU A 70 0.664 -0.701 -15.476 1.00 0.00 C ATOM 1098 OE1 GLU A 70 0.906 -1.459 -14.505 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.140 -0.773 -16.635 1.00 0.00 O ATOM 0 H GLU A 70 0.206 4.101 -13.067 1.00 0.00 H new ATOM 0 HA GLU A 70 0.560 2.955 -15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.387 1.284 -14.112 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.139 1.388 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.228 0.090 -14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.533 0.962 -16.156 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.858 3.408 -16.082 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.287 3.573 -16.266 1.00 0.00 C ATOM 1108 C ASN A 71 -3.927 2.203 -16.081 1.00 0.00 C ATOM 1109 O ASN A 71 -3.743 1.335 -16.924 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.626 4.181 -17.632 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.133 4.230 -17.869 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.590 4.017 -18.979 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.935 4.520 -16.851 1.00 0.00 N ATOM 0 H ASN A 71 -1.310 3.398 -16.942 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.680 4.277 -15.532 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.215 5.189 -17.694 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.153 3.594 -18.419 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.944 4.566 -16.994 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.542 4.696 -15.926 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.657 2.014 -14.978 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.357 0.760 -14.695 1.00 0.00 C ATOM 1122 C ALA A 72 -6.466 0.474 -15.708 1.00 0.00 C ATOM 1123 O ALA A 72 -6.832 -0.684 -15.870 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.971 0.800 -13.290 1.00 0.00 C ATOM 0 H ALA A 72 -4.779 2.726 -14.258 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.616 -0.036 -14.764 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.489 -0.139 -13.092 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.182 0.942 -12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.680 1.626 -13.226 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.044 1.522 -16.304 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.149 1.432 -17.247 1.00 0.00 C ATOM 1132 C GLY A 73 -9.030 2.669 -17.116 1.00 0.00 C ATOM 1133 O GLY A 73 -8.582 3.729 -16.657 1.00 0.00 O ATOM 0 H GLY A 73 -6.743 2.482 -16.135 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.767 1.350 -18.265 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.734 0.533 -17.053 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.310 2.521 -17.454 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.348 3.489 -17.125 1.00 0.00 C ATOM 1139 C GLY A 74 -12.373 2.855 -16.184 1.00 0.00 C ATOM 1140 O GLY A 74 -12.461 1.632 -16.122 1.00 0.00 O ATOM 0 H GLY A 74 -10.657 1.713 -17.971 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.903 4.366 -16.655 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.840 3.831 -18.036 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.182 3.687 -15.498 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.172 3.310 -14.463 1.00 0.00 C ATOM 1146 C LEU A 75 -14.862 1.987 -14.824 1.00 0.00 C ATOM 1147 O LEU A 75 -14.958 1.056 -14.026 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.212 4.471 -14.336 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.474 4.358 -13.413 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.109 2.986 -13.127 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -16.107 4.995 -12.082 1.00 0.00 C ATOM 0 H LEU A 75 -13.163 4.694 -15.658 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.672 3.158 -13.507 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.661 5.352 -14.008 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.576 4.679 -15.342 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.253 4.851 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.969 3.113 -12.470 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.432 2.532 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.376 2.339 -12.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.959 4.939 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.261 4.464 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.837 6.039 -12.240 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.365 1.963 -16.054 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.211 0.907 -16.591 1.00 0.00 C ATOM 1165 C LYS A 76 -15.533 -0.426 -16.807 1.00 0.00 C ATOM 1166 O LYS A 76 -16.153 -1.481 -16.710 1.00 0.00 O ATOM 1167 CB LYS A 76 -16.670 1.349 -17.982 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.137 1.695 -17.840 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.700 2.073 -19.202 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.810 3.112 -18.980 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.065 2.721 -19.704 1.00 0.00 N ATOM 0 H LYS A 76 -15.187 2.707 -16.728 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.000 0.764 -15.853 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.097 2.209 -18.328 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.525 0.554 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.684 0.846 -17.431 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.261 2.522 -17.140 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.916 2.482 -19.839 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.096 1.193 -19.709 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.016 3.208 -17.914 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.474 4.089 -19.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.799 3.439 -19.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.871 2.653 -20.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.396 1.800 -19.353 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.320 -0.310 -17.302 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.558 -1.421 -17.813 1.00 0.00 C ATOM 1187 C ASP A 77 -12.928 -2.125 -16.614 1.00 0.00 C ATOM 1188 O ASP A 77 -12.858 -3.349 -16.546 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.540 -0.828 -18.787 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.602 -1.903 -19.304 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.999 -2.584 -20.273 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.482 -1.955 -18.756 1.00 0.00 O ATOM 0 H ASP A 77 -13.828 0.581 -17.360 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.145 -2.166 -18.350 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.059 -0.359 -19.623 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.966 -0.046 -18.289 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.579 -1.343 -15.585 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.998 -1.853 -14.364 1.00 0.00 C ATOM 1199 C ILE A 78 -13.019 -2.786 -13.703 1.00 0.00 C ATOM 1200 O ILE A 78 -14.137 -2.382 -13.378 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.528 -0.670 -13.485 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.326 0.018 -14.179 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.133 -1.154 -12.077 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.967 1.380 -13.580 1.00 0.00 C ATOM 0 H ILE A 78 -12.698 -0.330 -15.589 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.103 -2.449 -14.545 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.345 0.042 -13.370 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.457 -0.637 -14.115 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.553 0.145 -15.238 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.806 -0.304 -11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.992 -1.625 -11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.320 -1.876 -12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.117 1.801 -14.117 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.820 2.052 -13.668 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.708 1.258 -12.528 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.611 -4.030 -13.452 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.482 -5.075 -12.916 1.00 0.00 C ATOM 1218 C ALA A 79 -13.722 -4.950 -11.403 1.00 0.00 C ATOM 1219 O ALA A 79 -14.536 -5.679 -10.839 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.866 -6.437 -13.251 1.00 0.00 C ATOM 0 H ALA A 79 -11.655 -4.344 -13.617 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.462 -4.967 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.502 -7.230 -12.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.781 -6.542 -14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.876 -6.509 -12.800 1.00 0.00 H new ATOM 1226 N MET A 80 -12.994 -4.052 -10.733 1.00 0.00 N ATOM 1227 CA MET A 80 -13.102 -3.841 -9.290 1.00 0.00 C ATOM 1228 C MET A 80 -14.482 -3.260 -8.920 1.00 0.00 C ATOM 1229 O MET A 80 -15.101 -2.594 -9.760 1.00 0.00 O ATOM 1230 CB MET A 80 -11.929 -2.971 -8.788 1.00 0.00 C ATOM 1231 CG MET A 80 -10.595 -3.668 -9.114 1.00 0.00 C ATOM 1232 SD MET A 80 -9.098 -3.169 -8.176 1.00 0.00 S ATOM 1233 CE MET A 80 -9.648 -2.865 -6.452 1.00 0.00 C ATOM 0 H MET A 80 -12.307 -3.446 -11.183 1.00 0.00 H new ATOM 0 HA MET A 80 -13.028 -4.802 -8.781 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.963 -1.989 -9.260 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.015 -2.811 -7.713 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.736 -4.739 -8.969 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.390 -3.514 -10.173 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.777 -2.720 -5.812 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.273 -1.972 -6.421 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.221 -3.721 -6.097 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.981 -3.505 -7.694 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.191 -2.873 -7.185 1.00 0.00 C ATOM 1245 C PRO A 81 -16.055 -1.344 -7.098 1.00 0.00 C ATOM 1246 O PRO A 81 -14.955 -0.782 -7.098 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.483 -3.523 -5.826 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.246 -4.360 -5.475 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.388 -4.411 -6.726 1.00 0.00 C ATOM 0 HA PRO A 81 -17.028 -3.030 -7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.669 -2.766 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.374 -4.149 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.697 -3.912 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.533 -5.363 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.363 -4.116 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.348 -5.425 -7.123 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.201 -0.661 -7.005 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.285 0.796 -6.973 1.00 0.00 C ATOM 1259 C LYS A 82 -18.165 1.206 -5.807 1.00 0.00 C ATOM 1260 O LYS A 82 -19.033 0.440 -5.393 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.890 1.393 -8.262 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.053 1.254 -9.543 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.274 -0.081 -10.268 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.341 -0.149 -11.479 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.288 -1.497 -12.071 1.00 0.00 N ATOM 0 H LYS A 82 -18.111 -1.118 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.268 1.176 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.858 0.922 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.078 2.453 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.298 2.073 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.997 1.353 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.076 -0.914 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.313 -0.169 -10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.676 0.563 -12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.338 0.153 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.557 -1.523 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.058 -2.192 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.212 -1.729 -12.489 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.977 2.427 -5.330 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.845 3.082 -4.370 1.00 0.00 C ATOM 1281 C VAL A 83 -19.060 4.514 -4.862 1.00 0.00 C ATOM 1282 O VAL A 83 -18.300 5.018 -5.696 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.245 3.042 -2.949 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.079 1.606 -2.413 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.911 3.808 -2.876 1.00 0.00 C ATOM 0 H VAL A 83 -17.187 3.007 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.801 2.564 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.965 3.544 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.653 1.639 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.052 1.116 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.414 1.046 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.518 3.758 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.195 3.359 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.074 4.850 -3.151 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.092 5.160 -4.336 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.539 6.489 -4.728 1.00 0.00 C ATOM 1297 C LYS A 84 -19.896 7.484 -3.728 1.00 0.00 C ATOM 1298 O LYS A 84 -19.440 7.061 -2.654 1.00 0.00 O ATOM 1299 CB LYS A 84 -22.092 6.505 -4.752 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.778 5.207 -5.324 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.203 5.396 -6.793 1.00 0.00 C ATOM 1302 CE LYS A 84 -24.716 5.697 -6.920 1.00 0.00 C ATOM 1303 NZ LYS A 84 -25.223 5.503 -8.325 1.00 0.00 N ATOM 0 H LYS A 84 -20.664 4.755 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.229 6.780 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.451 6.666 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.419 7.359 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.089 4.366 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -23.651 4.959 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -22.632 6.213 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -22.963 4.496 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -25.271 5.048 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.907 6.723 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.240 5.716 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.713 6.141 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.066 4.518 -8.618 1.00 0.00 H new ATOM 1317 N GLY A 85 -19.779 8.752 -4.128 1.00 0.00 N ATOM 1318 CA GLY A 85 -19.478 9.842 -3.209 1.00 0.00 C ATOM 1319 C GLY A 85 -20.734 10.078 -2.362 1.00 0.00 C ATOM 1320 O GLY A 85 -21.836 9.972 -2.950 1.00 0.00 O ATOM 1321 OXT GLY A 85 -20.578 10.281 -1.138 1.00 0.00 O ATOM 0 H GLY A 85 -19.891 9.048 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.628 9.588 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.208 10.745 -3.757 1.00 0.00 H new TER 1325 GLY A 85