USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 43 GLN : amide:sc= -1.64! C(o=-0.74!,f=-4.2!) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 162:sc= 0.906 (180deg=0) USER MOD Set 3.1: A 31 GLN : amide:sc= -2.49 X(o=-7.4,f=-7.9) USER MOD Set 3.2: A 81 MET CE :methyl -165:sc= -4.91! (180deg=-6.27!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -8.67! C(o=-20!,f=-24!) USER MOD Set 4.2: A 24 SER OG : rot -170:sc= -0.503 USER MOD Set 4.3: A 25 MET CE :methyl -158:sc= -4.14! (180deg=-5.68!) USER MOD Set 4.4: A 48 MET CE :methyl -114:sc= -3.02 (180deg=-1.16) USER MOD Set 4.5: A 57 MET CE :methyl -105:sc= -4! (180deg=-7.34!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.471 USER MOD Single : A 9 CYS SG : rot -12:sc= 0.572 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.383 K(o=-0.38,f=-3.5!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.645 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 110:sc= -1.64 USER MOD Single : A 32 THR OG1 : rot -73:sc= 0.102 USER MOD Single : A 34 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 41 HIS : no HE2:sc= -4.28 K(o=-4.3,f=-1.8) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -150:sc= -0.281 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0756 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 162:sc= -0.897 USER MOD Single : A 73 GLN : amide:sc= -0.0418 K(o=-0.042,f=-0.7) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.954 USER MOD Single : A 80 SER OG : rot -2:sc= 1.28 USER MOD Single : A 85 THR OG1 : rot 139:sc= -0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -11.030 -0.436 21.262 1.00 20.21 N ATOM 2 CA ALA A 2 -9.995 -0.920 20.357 1.00 23.34 C ATOM 3 C ALA A 2 -10.588 -1.333 19.015 1.00 71.13 C ATOM 4 O ALA A 2 -11.076 -2.453 18.859 1.00 42.41 O ATOM 5 CB ALA A 2 -9.247 -2.086 20.987 1.00 63.21 C ATOM 0 HA ALA A 2 -9.293 -0.105 20.179 1.00 23.34 H new ATOM 0 HB1 ALA A 2 -8.477 -2.438 20.300 1.00 63.21 H new ATOM 0 HB2 ALA A 2 -8.782 -1.760 21.917 1.00 63.21 H new ATOM 0 HB3 ALA A 2 -9.945 -2.897 21.195 1.00 63.21 H new ATOM 11 N ARG A 3 -10.544 -0.422 18.048 1.00 3.12 N ATOM 12 CA ARG A 3 -11.079 -0.691 16.719 1.00 31.32 C ATOM 13 C ARG A 3 -10.144 -0.158 15.638 1.00 41.20 C ATOM 14 O ARG A 3 -10.587 0.469 14.676 1.00 64.44 O ATOM 15 CB ARG A 3 -12.465 -0.061 16.567 1.00 45.33 C ATOM 16 CG ARG A 3 -12.470 1.449 16.746 1.00 22.43 C ATOM 17 CD ARG A 3 -13.275 2.137 15.655 1.00 21.40 C ATOM 18 NE ARG A 3 -13.004 3.571 15.597 1.00 73.43 N ATOM 19 CZ ARG A 3 -11.946 4.095 14.988 1.00 73.31 C ATOM 20 NH1 ARG A 3 -11.065 3.307 14.388 1.00 23.21 N ATOM 21 NH2 ARG A 3 -11.769 5.410 14.978 1.00 70.43 N ATOM 0 H ARG A 3 -10.143 0.509 18.160 1.00 3.12 H new ATOM 0 HA ARG A 3 -11.164 -1.771 16.601 1.00 31.32 H new ATOM 0 HB2 ARG A 3 -12.859 -0.303 15.580 1.00 45.33 H new ATOM 0 HB3 ARG A 3 -13.140 -0.507 17.297 1.00 45.33 H new ATOM 0 HG2 ARG A 3 -12.888 1.699 17.721 1.00 22.43 H new ATOM 0 HG3 ARG A 3 -11.446 1.821 16.733 1.00 22.43 H new ATOM 0 HD2 ARG A 3 -13.041 1.684 14.691 1.00 21.40 H new ATOM 0 HD3 ARG A 3 -14.338 1.976 15.833 1.00 21.40 H new ATOM 0 HE ARG A 3 -13.663 4.205 16.049 1.00 73.43 H new ATOM 0 HH11 ARG A 3 -11.199 2.296 14.393 1.00 23.21 H new ATOM 0 HH12 ARG A 3 -10.254 3.712 13.921 1.00 23.21 H new ATOM 0 HH21 ARG A 3 -12.445 6.019 15.438 1.00 70.43 H new ATOM 0 HH22 ARG A 3 -10.956 5.812 14.510 1.00 70.43 H new ATOM 35 N GLN A 4 -8.850 -0.411 15.805 1.00 43.52 N ATOM 36 CA GLN A 4 -7.853 0.046 14.844 1.00 63.44 C ATOM 37 C GLN A 4 -7.182 -1.137 14.153 1.00 42.04 C ATOM 38 O GLN A 4 -7.083 -2.226 14.719 1.00 51.23 O ATOM 39 CB GLN A 4 -6.800 0.909 15.540 1.00 5.11 C ATOM 40 CG GLN A 4 -5.922 0.134 16.510 1.00 50.21 C ATOM 41 CD GLN A 4 -4.939 1.023 17.246 1.00 52.52 C ATOM 42 OE1 GLN A 4 -5.008 2.250 17.159 1.00 74.21 O ATOM 43 NE2 GLN A 4 -4.017 0.409 17.977 1.00 65.45 N ATOM 0 H GLN A 4 -8.468 -0.929 16.596 1.00 43.52 H new ATOM 0 HA GLN A 4 -8.361 0.645 14.089 1.00 63.44 H new ATOM 0 HB2 GLN A 4 -6.168 1.376 14.785 1.00 5.11 H new ATOM 0 HB3 GLN A 4 -7.300 1.714 16.079 1.00 5.11 H new ATOM 0 HG2 GLN A 4 -6.554 -0.380 17.234 1.00 50.21 H new ATOM 0 HG3 GLN A 4 -5.373 -0.633 15.964 1.00 50.21 H new ATOM 0 HE21 GLN A 4 -3.996 -0.610 18.021 1.00 65.45 H new ATOM 0 HE22 GLN A 4 -3.329 0.956 18.495 1.00 65.45 H new ATOM 52 N VAL A 5 -6.722 -0.916 12.925 1.00 0.11 N ATOM 53 CA VAL A 5 -6.060 -1.963 12.157 1.00 64.03 C ATOM 54 C VAL A 5 -4.701 -1.495 11.647 1.00 53.11 C ATOM 55 O VAL A 5 -4.448 -0.295 11.537 1.00 53.21 O ATOM 56 CB VAL A 5 -6.919 -2.409 10.959 1.00 32.30 C ATOM 57 CG1 VAL A 5 -8.274 -2.913 11.432 1.00 14.52 C ATOM 58 CG2 VAL A 5 -7.082 -1.268 9.966 1.00 21.41 C ATOM 0 H VAL A 5 -6.796 -0.021 12.441 1.00 0.11 H new ATOM 0 HA VAL A 5 -5.921 -2.809 12.830 1.00 64.03 H new ATOM 0 HB VAL A 5 -6.409 -3.229 10.454 1.00 32.30 H new ATOM 0 HG11 VAL A 5 -8.867 -3.224 10.572 1.00 14.52 H new ATOM 0 HG12 VAL A 5 -8.133 -3.762 12.101 1.00 14.52 H new ATOM 0 HG13 VAL A 5 -8.794 -2.115 11.962 1.00 14.52 H new ATOM 0 HG21 VAL A 5 -7.692 -1.601 9.126 1.00 21.41 H new ATOM 0 HG22 VAL A 5 -7.569 -0.425 10.457 1.00 21.41 H new ATOM 0 HG23 VAL A 5 -6.102 -0.959 9.603 1.00 21.41 H new ATOM 68 N ILE A 6 -3.831 -2.450 11.337 1.00 42.43 N ATOM 69 CA ILE A 6 -2.498 -2.135 10.837 1.00 54.24 C ATOM 70 C ILE A 6 -2.506 -1.962 9.322 1.00 75.15 C ATOM 71 O ILE A 6 -3.310 -2.578 8.621 1.00 55.14 O ATOM 72 CB ILE A 6 -1.483 -3.230 11.212 1.00 61.33 C ATOM 73 CG1 ILE A 6 -1.533 -3.509 12.715 1.00 4.13 C ATOM 74 CG2 ILE A 6 -0.080 -2.819 10.790 1.00 73.13 C ATOM 75 CD1 ILE A 6 -2.508 -4.600 13.096 1.00 72.53 C ATOM 0 H ILE A 6 -4.025 -3.448 11.423 1.00 42.43 H new ATOM 0 HA ILE A 6 -2.198 -1.198 11.306 1.00 54.24 H new ATOM 0 HB ILE A 6 -1.747 -4.146 10.683 1.00 61.33 H new ATOM 0 HG12 ILE A 6 -0.537 -3.788 13.058 1.00 4.13 H new ATOM 0 HG13 ILE A 6 -1.805 -2.592 13.238 1.00 4.13 H new ATOM 0 HG21 ILE A 6 0.626 -3.603 11.062 1.00 73.13 H new ATOM 0 HG22 ILE A 6 -0.055 -2.666 9.711 1.00 73.13 H new ATOM 0 HG23 ILE A 6 0.195 -1.893 11.294 1.00 73.13 H new ATOM 0 HD11 ILE A 6 -2.490 -4.743 14.176 1.00 72.53 H new ATOM 0 HD12 ILE A 6 -3.513 -4.315 12.785 1.00 72.53 H new ATOM 0 HD13 ILE A 6 -2.225 -5.530 12.602 1.00 72.53 H new ATOM 87 N CYS A 7 -1.606 -1.123 8.823 1.00 51.53 N ATOM 88 CA CYS A 7 -1.508 -0.869 7.390 1.00 73.25 C ATOM 89 C CYS A 7 -0.788 -2.013 6.683 1.00 34.21 C ATOM 90 O CYS A 7 -0.016 -2.748 7.299 1.00 73.10 O ATOM 91 CB CYS A 7 -0.774 0.448 7.132 1.00 34.42 C ATOM 92 SG CYS A 7 1.016 0.353 7.369 1.00 53.51 S ATOM 0 H CYS A 7 -0.933 -0.607 9.390 1.00 51.53 H new ATOM 0 HA CYS A 7 -2.519 -0.797 6.990 1.00 73.25 H new ATOM 0 HB2 CYS A 7 -0.978 0.772 6.111 1.00 34.42 H new ATOM 0 HB3 CYS A 7 -1.178 1.213 7.796 1.00 34.42 H new ATOM 0 HG CYS A 7 1.548 1.514 7.126 1.00 53.51 H new ATOM 98 N TRP A 8 -1.048 -2.159 5.389 1.00 43.42 N ATOM 99 CA TRP A 8 -0.425 -3.215 4.599 1.00 53.13 C ATOM 100 C TRP A 8 0.645 -2.645 3.675 1.00 42.22 C ATOM 101 O TRP A 8 0.344 -1.874 2.762 1.00 22.42 O ATOM 102 CB TRP A 8 -1.482 -3.957 3.779 1.00 52.44 C ATOM 103 CG TRP A 8 -2.434 -4.753 4.618 1.00 33.32 C ATOM 104 CD1 TRP A 8 -3.343 -4.266 5.513 1.00 12.43 C ATOM 105 CD2 TRP A 8 -2.570 -6.178 4.642 1.00 23.40 C ATOM 106 NE1 TRP A 8 -4.036 -5.302 6.092 1.00 5.22 N ATOM 107 CE2 TRP A 8 -3.580 -6.485 5.574 1.00 34.30 C ATOM 108 CE3 TRP A 8 -1.937 -7.225 3.965 1.00 13.15 C ATOM 109 CZ2 TRP A 8 -3.970 -7.794 5.845 1.00 21.22 C ATOM 110 CZ3 TRP A 8 -2.325 -8.523 4.236 1.00 23.40 C ATOM 111 CH2 TRP A 8 -3.334 -8.799 5.168 1.00 23.15 C ATOM 0 H TRP A 8 -1.686 -1.560 4.865 1.00 43.42 H new ATOM 0 HA TRP A 8 0.051 -3.916 5.285 1.00 53.13 H new ATOM 0 HB2 TRP A 8 -2.046 -3.235 3.188 1.00 52.44 H new ATOM 0 HB3 TRP A 8 -0.984 -4.624 3.076 1.00 52.44 H new ATOM 0 HD1 TRP A 8 -3.495 -3.220 5.734 1.00 12.43 H new ATOM 0 HE1 TRP A 8 -4.770 -5.206 6.793 1.00 5.22 H new ATOM 0 HE3 TRP A 8 -1.159 -7.023 3.244 1.00 13.15 H new ATOM 0 HZ2 TRP A 8 -4.747 -8.009 6.564 1.00 21.22 H new ATOM 0 HZ3 TRP A 8 -1.842 -9.340 3.720 1.00 23.40 H new ATOM 0 HH2 TRP A 8 -3.615 -9.825 5.356 1.00 23.15 H new ATOM 122 N CYS A 9 1.894 -3.028 3.916 1.00 10.45 N ATOM 123 CA CYS A 9 3.010 -2.553 3.105 1.00 34.24 C ATOM 124 C CYS A 9 3.355 -3.561 2.014 1.00 41.44 C ATOM 125 O CYS A 9 3.681 -4.713 2.298 1.00 34.33 O ATOM 126 CB CYS A 9 4.234 -2.297 3.985 1.00 10.52 C ATOM 127 SG CYS A 9 4.739 -3.719 4.980 1.00 21.15 S ATOM 0 H CYS A 9 2.160 -3.666 4.666 1.00 10.45 H new ATOM 0 HA CYS A 9 2.711 -1.618 2.630 1.00 34.24 H new ATOM 0 HB2 CYS A 9 5.068 -1.997 3.350 1.00 10.52 H new ATOM 0 HB3 CYS A 9 4.022 -1.459 4.649 1.00 10.52 H new ATOM 0 HG CYS A 9 3.806 -4.623 4.950 1.00 21.15 H new ATOM 133 N PHE A 10 3.280 -3.118 0.763 1.00 63.43 N ATOM 134 CA PHE A 10 3.582 -3.982 -0.373 1.00 23.11 C ATOM 135 C PHE A 10 4.393 -3.232 -1.426 1.00 23.42 C ATOM 136 O PHE A 10 4.470 -2.003 -1.409 1.00 74.33 O ATOM 137 CB PHE A 10 2.289 -4.516 -0.993 1.00 43.51 C ATOM 138 CG PHE A 10 1.670 -3.577 -1.989 1.00 2.33 C ATOM 139 CD1 PHE A 10 1.085 -2.392 -1.572 1.00 55.02 C ATOM 140 CD2 PHE A 10 1.674 -3.878 -3.341 1.00 23.41 C ATOM 141 CE1 PHE A 10 0.513 -1.527 -2.486 1.00 45.22 C ATOM 142 CE2 PHE A 10 1.105 -3.017 -4.260 1.00 0.23 C ATOM 143 CZ PHE A 10 0.525 -1.839 -3.832 1.00 12.03 C ATOM 0 H PHE A 10 3.013 -2.167 0.510 1.00 63.43 H new ATOM 0 HA PHE A 10 4.177 -4.821 -0.012 1.00 23.11 H new ATOM 0 HB2 PHE A 10 2.496 -5.468 -1.483 1.00 43.51 H new ATOM 0 HB3 PHE A 10 1.570 -4.716 -0.199 1.00 43.51 H new ATOM 0 HD1 PHE A 10 1.076 -2.142 -0.521 1.00 55.02 H new ATOM 0 HD2 PHE A 10 2.128 -4.797 -3.681 1.00 23.41 H new ATOM 0 HE1 PHE A 10 0.057 -0.608 -2.148 1.00 45.22 H new ATOM 0 HE2 PHE A 10 1.114 -3.265 -5.311 1.00 0.23 H new ATOM 0 HZ PHE A 10 0.082 -1.163 -4.548 1.00 12.03 H new ATOM 153 N THR A 11 4.999 -3.982 -2.342 1.00 11.30 N ATOM 154 CA THR A 11 5.806 -3.390 -3.402 1.00 12.04 C ATOM 155 C THR A 11 5.403 -3.934 -4.768 1.00 3.42 C ATOM 156 O THR A 11 5.418 -5.144 -4.995 1.00 22.23 O ATOM 157 CB THR A 11 7.307 -3.654 -3.179 1.00 11.13 C ATOM 158 OG1 THR A 11 7.615 -3.580 -1.782 1.00 42.53 O ATOM 159 CG2 THR A 11 8.153 -2.648 -3.944 1.00 52.33 C ATOM 0 H THR A 11 4.946 -5.000 -2.371 1.00 11.30 H new ATOM 0 HA THR A 11 5.626 -2.315 -3.374 1.00 12.04 H new ATOM 0 HB THR A 11 7.537 -4.653 -3.549 1.00 11.13 H new ATOM 0 HG1 THR A 11 8.571 -3.751 -1.648 1.00 42.53 H new ATOM 0 HG21 THR A 11 9.209 -2.855 -3.771 1.00 52.33 H new ATOM 0 HG22 THR A 11 7.938 -2.727 -5.010 1.00 52.33 H new ATOM 0 HG23 THR A 11 7.919 -1.640 -3.600 1.00 52.33 H new ATOM 167 N LEU A 12 5.044 -3.032 -5.675 1.00 64.44 N ATOM 168 CA LEU A 12 4.638 -3.422 -7.021 1.00 44.14 C ATOM 169 C LEU A 12 5.701 -3.033 -8.045 1.00 13.15 C ATOM 170 O LEU A 12 6.093 -1.870 -8.136 1.00 35.45 O ATOM 171 CB LEU A 12 3.303 -2.768 -7.382 1.00 23.31 C ATOM 172 CG LEU A 12 2.753 -3.088 -8.772 1.00 43.34 C ATOM 173 CD1 LEU A 12 2.893 -4.572 -9.074 1.00 13.24 C ATOM 174 CD2 LEU A 12 1.299 -2.653 -8.884 1.00 22.34 C ATOM 0 H LEU A 12 5.026 -2.027 -5.503 1.00 64.44 H new ATOM 0 HA LEU A 12 4.522 -4.506 -7.039 1.00 44.14 H new ATOM 0 HB2 LEU A 12 2.562 -3.069 -6.642 1.00 23.31 H new ATOM 0 HB3 LEU A 12 3.416 -1.687 -7.298 1.00 23.31 H new ATOM 0 HG LEU A 12 3.335 -2.533 -9.508 1.00 43.34 H new ATOM 0 HD11 LEU A 12 2.496 -4.780 -10.068 1.00 13.24 H new ATOM 0 HD12 LEU A 12 3.946 -4.853 -9.038 1.00 13.24 H new ATOM 0 HD13 LEU A 12 2.338 -5.148 -8.334 1.00 13.24 H new ATOM 0 HD21 LEU A 12 0.924 -2.889 -9.880 1.00 22.34 H new ATOM 0 HD22 LEU A 12 0.703 -3.179 -8.138 1.00 22.34 H new ATOM 0 HD23 LEU A 12 1.226 -1.579 -8.714 1.00 22.34 H new ATOM 186 N ASN A 13 6.161 -4.014 -8.814 1.00 41.11 N ATOM 187 CA ASN A 13 7.177 -3.774 -9.833 1.00 11.24 C ATOM 188 C ASN A 13 6.572 -3.846 -11.232 1.00 24.45 C ATOM 189 O ASN A 13 5.814 -4.763 -11.544 1.00 70.10 O ATOM 190 CB ASN A 13 8.311 -4.792 -9.701 1.00 61.35 C ATOM 191 CG ASN A 13 9.214 -4.503 -8.517 1.00 74.44 C ATOM 192 OD1 ASN A 13 10.237 -3.832 -8.652 1.00 14.22 O ATOM 193 ND2 ASN A 13 8.838 -5.011 -7.349 1.00 74.24 N ATOM 0 H ASN A 13 5.847 -4.982 -8.751 1.00 41.11 H new ATOM 0 HA ASN A 13 7.579 -2.772 -9.682 1.00 11.24 H new ATOM 0 HB2 ASN A 13 7.888 -5.791 -9.596 1.00 61.35 H new ATOM 0 HB3 ASN A 13 8.904 -4.791 -10.615 1.00 61.35 H new ATOM 0 HD21 ASN A 13 9.406 -4.851 -6.517 1.00 74.24 H new ATOM 0 HD22 ASN A 13 7.982 -5.561 -7.284 1.00 74.24 H new ATOM 200 N ASN A 14 6.915 -2.873 -12.069 1.00 60.24 N ATOM 201 CA ASN A 14 6.406 -2.826 -13.435 1.00 64.55 C ATOM 202 C ASN A 14 4.889 -2.985 -13.457 1.00 1.43 C ATOM 203 O ASN A 14 4.348 -3.949 -13.998 1.00 21.35 O ATOM 204 CB ASN A 14 7.057 -3.923 -14.282 1.00 15.03 C ATOM 205 CG ASN A 14 6.792 -3.742 -15.764 1.00 64.31 C ATOM 206 OD1 ASN A 14 5.839 -3.070 -16.159 1.00 24.33 O ATOM 207 ND2 ASN A 14 7.638 -4.343 -16.593 1.00 71.50 N ATOM 0 H ASN A 14 7.543 -2.107 -11.826 1.00 60.24 H new ATOM 0 HA ASN A 14 6.657 -1.853 -13.856 1.00 64.55 H new ATOM 0 HB2 ASN A 14 8.133 -3.925 -14.105 1.00 15.03 H new ATOM 0 HB3 ASN A 14 6.680 -4.895 -13.964 1.00 15.03 H new ATOM 0 HD21 ASN A 14 7.511 -4.257 -17.601 1.00 71.50 H new ATOM 0 HD22 ASN A 14 8.414 -4.890 -16.221 1.00 71.50 H new ATOM 214 N PRO A 15 4.185 -2.015 -12.855 1.00 14.23 N ATOM 215 CA PRO A 15 2.720 -2.023 -12.792 1.00 1.13 C ATOM 216 C PRO A 15 2.080 -1.777 -14.154 1.00 31.52 C ATOM 217 O PRO A 15 2.693 -1.183 -15.041 1.00 62.25 O ATOM 218 CB PRO A 15 2.400 -0.872 -11.835 1.00 51.41 C ATOM 219 CG PRO A 15 3.570 0.044 -11.940 1.00 1.44 C ATOM 220 CD PRO A 15 4.764 -0.835 -12.190 1.00 34.53 C ATOM 0 HA PRO A 15 2.331 -2.988 -12.466 1.00 1.13 H new ATOM 0 HB2 PRO A 15 1.476 -0.368 -12.117 1.00 51.41 H new ATOM 0 HB3 PRO A 15 2.268 -1.231 -10.814 1.00 51.41 H new ATOM 0 HG2 PRO A 15 3.435 0.758 -12.752 1.00 1.44 H new ATOM 0 HG3 PRO A 15 3.696 0.622 -11.025 1.00 1.44 H new ATOM 0 HD2 PRO A 15 5.502 -0.340 -12.821 1.00 34.53 H new ATOM 0 HD3 PRO A 15 5.267 -1.104 -11.261 1.00 34.53 H new ATOM 228 N LEU A 16 0.844 -2.238 -14.313 1.00 10.42 N ATOM 229 CA LEU A 16 0.120 -2.067 -15.568 1.00 32.43 C ATOM 230 C LEU A 16 -0.882 -0.922 -15.467 1.00 51.41 C ATOM 231 O LEU A 16 -1.544 -0.575 -16.445 1.00 42.34 O ATOM 232 CB LEU A 16 -0.605 -3.362 -15.941 1.00 45.00 C ATOM 233 CG LEU A 16 0.285 -4.529 -16.371 1.00 42.21 C ATOM 234 CD1 LEU A 16 -0.191 -5.826 -15.735 1.00 43.31 C ATOM 235 CD2 LEU A 16 0.306 -4.653 -17.888 1.00 2.33 C ATOM 0 H LEU A 16 0.323 -2.733 -13.589 1.00 10.42 H new ATOM 0 HA LEU A 16 0.844 -1.825 -16.346 1.00 32.43 H new ATOM 0 HB2 LEU A 16 -1.200 -3.681 -15.085 1.00 45.00 H new ATOM 0 HB3 LEU A 16 -1.302 -3.145 -16.751 1.00 45.00 H new ATOM 0 HG LEU A 16 1.301 -4.332 -16.028 1.00 42.21 H new ATOM 0 HD11 LEU A 16 0.454 -6.645 -16.052 1.00 43.31 H new ATOM 0 HD12 LEU A 16 -0.153 -5.734 -14.650 1.00 43.31 H new ATOM 0 HD13 LEU A 16 -1.216 -6.029 -16.047 1.00 43.31 H new ATOM 0 HD21 LEU A 16 0.944 -5.488 -18.176 1.00 2.33 H new ATOM 0 HD22 LEU A 16 -0.706 -4.827 -18.253 1.00 2.33 H new ATOM 0 HD23 LEU A 16 0.695 -3.732 -18.323 1.00 2.33 H new ATOM 247 N SER A 17 -0.987 -0.336 -14.278 1.00 63.52 N ATOM 248 CA SER A 17 -1.909 0.770 -14.049 1.00 61.42 C ATOM 249 C SER A 17 -1.825 1.257 -12.606 1.00 32.43 C ATOM 250 O SER A 17 -1.344 0.557 -11.714 1.00 73.33 O ATOM 251 CB SER A 17 -3.342 0.342 -14.373 1.00 3.21 C ATOM 252 OG SER A 17 -4.234 0.727 -13.342 1.00 11.43 O ATOM 0 H SER A 17 -0.445 -0.609 -13.458 1.00 63.52 H new ATOM 0 HA SER A 17 -1.625 1.591 -14.708 1.00 61.42 H new ATOM 0 HB2 SER A 17 -3.655 0.791 -15.316 1.00 3.21 H new ATOM 0 HB3 SER A 17 -3.381 -0.739 -14.507 1.00 3.21 H new ATOM 0 HG SER A 17 -5.143 0.444 -13.573 1.00 11.43 H new ATOM 258 N PRO A 18 -2.305 2.487 -12.368 1.00 63.44 N ATOM 259 CA PRO A 18 -2.296 3.096 -11.035 1.00 75.11 C ATOM 260 C PRO A 18 -3.280 2.423 -10.084 1.00 60.51 C ATOM 261 O PRO A 18 -4.263 1.819 -10.516 1.00 62.31 O ATOM 262 CB PRO A 18 -2.718 4.543 -11.304 1.00 23.23 C ATOM 263 CG PRO A 18 -3.507 4.480 -12.566 1.00 24.41 C ATOM 264 CD PRO A 18 -2.892 3.377 -13.383 1.00 54.14 C ATOM 0 HA PRO A 18 -1.324 3.003 -10.551 1.00 75.11 H new ATOM 0 HB2 PRO A 18 -3.315 4.940 -10.483 1.00 23.23 H new ATOM 0 HB3 PRO A 18 -1.851 5.195 -11.412 1.00 23.23 H new ATOM 0 HG2 PRO A 18 -4.557 4.274 -12.360 1.00 24.41 H new ATOM 0 HG3 PRO A 18 -3.467 5.430 -13.099 1.00 24.41 H new ATOM 0 HD2 PRO A 18 -3.638 2.861 -13.987 1.00 54.14 H new ATOM 0 HD3 PRO A 18 -2.135 3.759 -14.069 1.00 54.14 H new ATOM 272 N LEU A 19 -3.010 2.530 -8.788 1.00 11.22 N ATOM 273 CA LEU A 19 -3.872 1.932 -7.775 1.00 32.35 C ATOM 274 C LEU A 19 -5.209 2.662 -7.697 1.00 32.21 C ATOM 275 O LEU A 19 -5.360 3.760 -8.233 1.00 33.34 O ATOM 276 CB LEU A 19 -3.183 1.959 -6.409 1.00 41.52 C ATOM 277 CG LEU A 19 -1.796 1.319 -6.344 1.00 72.53 C ATOM 278 CD1 LEU A 19 -1.282 1.303 -4.913 1.00 42.02 C ATOM 279 CD2 LEU A 19 -1.833 -0.092 -6.915 1.00 51.40 C ATOM 0 H LEU A 19 -2.201 3.025 -8.414 1.00 11.22 H new ATOM 0 HA LEU A 19 -4.060 0.897 -8.060 1.00 32.35 H new ATOM 0 HB2 LEU A 19 -3.097 2.997 -6.088 1.00 41.52 H new ATOM 0 HB3 LEU A 19 -3.828 1.455 -5.689 1.00 41.52 H new ATOM 0 HG LEU A 19 -1.112 1.916 -6.947 1.00 72.53 H new ATOM 0 HD11 LEU A 19 -0.294 0.844 -4.886 1.00 42.02 H new ATOM 0 HD12 LEU A 19 -1.218 2.324 -4.538 1.00 42.02 H new ATOM 0 HD13 LEU A 19 -1.966 0.729 -4.287 1.00 42.02 H new ATOM 0 HD21 LEU A 19 -0.837 -0.533 -6.861 1.00 51.40 H new ATOM 0 HD22 LEU A 19 -2.531 -0.700 -6.339 1.00 51.40 H new ATOM 0 HD23 LEU A 19 -2.157 -0.055 -7.955 1.00 51.40 H new ATOM 291 N SER A 20 -6.176 2.045 -7.025 1.00 10.44 N ATOM 292 CA SER A 20 -7.501 2.636 -6.878 1.00 33.22 C ATOM 293 C SER A 20 -8.134 2.228 -5.551 1.00 22.22 C ATOM 294 O SER A 20 -7.792 1.191 -4.979 1.00 53.53 O ATOM 295 CB SER A 20 -8.403 2.211 -8.038 1.00 35.31 C ATOM 296 OG SER A 20 -8.433 0.800 -8.170 1.00 54.13 O ATOM 0 H SER A 20 -6.067 1.137 -6.574 1.00 10.44 H new ATOM 0 HA SER A 20 -7.392 3.720 -6.890 1.00 33.22 H new ATOM 0 HB2 SER A 20 -9.413 2.586 -7.873 1.00 35.31 H new ATOM 0 HB3 SER A 20 -8.044 2.659 -8.965 1.00 35.31 H new ATOM 0 HG SER A 20 -9.018 0.554 -8.917 1.00 54.13 H new ATOM 302 N LEU A 21 -9.058 3.050 -5.066 1.00 23.13 N ATOM 303 CA LEU A 21 -9.740 2.776 -3.805 1.00 43.25 C ATOM 304 C LEU A 21 -10.476 1.441 -3.863 1.00 44.53 C ATOM 305 O LEU A 21 -10.907 1.004 -4.931 1.00 22.04 O ATOM 306 CB LEU A 21 -10.724 3.901 -3.481 1.00 74.10 C ATOM 307 CG LEU A 21 -11.720 3.618 -2.355 1.00 63.33 C ATOM 308 CD1 LEU A 21 -11.006 3.558 -1.014 1.00 3.41 C ATOM 309 CD2 LEU A 21 -12.814 4.675 -2.333 1.00 33.43 C ATOM 0 H LEU A 21 -9.352 3.911 -5.526 1.00 23.13 H new ATOM 0 HA LEU A 21 -8.988 2.721 -3.017 1.00 43.25 H new ATOM 0 HB2 LEU A 21 -10.153 4.792 -3.219 1.00 74.10 H new ATOM 0 HB3 LEU A 21 -11.286 4.137 -4.385 1.00 74.10 H new ATOM 0 HG LEU A 21 -12.183 2.649 -2.540 1.00 63.33 H new ATOM 0 HD11 LEU A 21 -11.730 3.356 -0.225 1.00 3.41 H new ATOM 0 HD12 LEU A 21 -10.260 2.763 -1.034 1.00 3.41 H new ATOM 0 HD13 LEU A 21 -10.515 4.512 -0.820 1.00 3.41 H new ATOM 0 HD21 LEU A 21 -13.514 4.458 -1.526 1.00 33.43 H new ATOM 0 HD22 LEU A 21 -12.368 5.657 -2.173 1.00 33.43 H new ATOM 0 HD23 LEU A 21 -13.345 4.669 -3.285 1.00 33.43 H new ATOM 321 N HIS A 22 -10.618 0.799 -2.708 1.00 42.31 N ATOM 322 CA HIS A 22 -11.305 -0.485 -2.627 1.00 5.13 C ATOM 323 C HIS A 22 -12.525 -0.392 -1.716 1.00 51.50 C ATOM 324 O HIS A 22 -12.440 0.116 -0.597 1.00 63.35 O ATOM 325 CB HIS A 22 -10.352 -1.565 -2.113 1.00 41.11 C ATOM 326 CG HIS A 22 -10.785 -2.957 -2.455 1.00 31.43 C ATOM 327 ND1 HIS A 22 -10.747 -4.000 -1.553 1.00 14.21 N ATOM 328 CD2 HIS A 22 -11.269 -3.476 -3.607 1.00 71.33 C ATOM 329 CE1 HIS A 22 -11.188 -5.100 -2.137 1.00 23.15 C ATOM 330 NE2 HIS A 22 -11.511 -4.809 -3.384 1.00 33.33 N ATOM 0 H HIS A 22 -10.267 1.147 -1.816 1.00 42.31 H new ATOM 0 HA HIS A 22 -11.641 -0.753 -3.629 1.00 5.13 H new ATOM 0 HB2 HIS A 22 -9.359 -1.390 -2.528 1.00 41.11 H new ATOM 0 HB3 HIS A 22 -10.265 -1.476 -1.030 1.00 41.11 H new ATOM 0 HD2 HIS A 22 -11.434 -2.941 -4.531 1.00 71.33 H new ATOM 0 HE1 HIS A 22 -11.270 -6.072 -1.673 1.00 23.15 H new ATOM 0 HE2 HIS A 22 -11.880 -5.467 -4.070 1.00 33.33 H new ATOM 338 N ASP A 23 -13.659 -0.883 -2.203 1.00 32.03 N ATOM 339 CA ASP A 23 -14.897 -0.855 -1.433 1.00 33.44 C ATOM 340 C ASP A 23 -14.724 -1.575 -0.099 1.00 22.11 C ATOM 341 O ASP A 23 -15.459 -1.321 0.855 1.00 2.23 O ATOM 342 CB ASP A 23 -16.033 -1.499 -2.230 1.00 11.24 C ATOM 343 CG ASP A 23 -16.710 -0.518 -3.167 1.00 73.41 C ATOM 344 OD1 ASP A 23 -16.010 0.359 -3.715 1.00 15.44 O ATOM 345 OD2 ASP A 23 -17.940 -0.630 -3.354 1.00 2.41 O ATOM 0 H ASP A 23 -13.747 -1.305 -3.127 1.00 32.03 H new ATOM 0 HA ASP A 23 -15.148 0.187 -1.233 1.00 33.44 H new ATOM 0 HB2 ASP A 23 -15.639 -2.336 -2.807 1.00 11.24 H new ATOM 0 HB3 ASP A 23 -16.772 -1.907 -1.540 1.00 11.24 H new ATOM 350 N SER A 24 -13.748 -2.475 -0.041 1.00 23.54 N ATOM 351 CA SER A 24 -13.481 -3.236 1.175 1.00 43.13 C ATOM 352 C SER A 24 -12.559 -2.459 2.110 1.00 63.41 C ATOM 353 O SER A 24 -12.753 -2.452 3.325 1.00 23.21 O ATOM 354 CB SER A 24 -12.853 -4.588 0.828 1.00 15.43 C ATOM 355 OG SER A 24 -13.441 -5.139 -0.337 1.00 54.13 O ATOM 0 H SER A 24 -13.129 -2.695 -0.821 1.00 23.54 H new ATOM 0 HA SER A 24 -14.429 -3.404 1.685 1.00 43.13 H new ATOM 0 HB2 SER A 24 -11.781 -4.466 0.675 1.00 15.43 H new ATOM 0 HB3 SER A 24 -12.979 -5.276 1.664 1.00 15.43 H new ATOM 0 HG SER A 24 -13.140 -6.065 -0.449 1.00 54.13 H new ATOM 361 N MET A 25 -11.555 -1.807 1.533 1.00 1.43 N ATOM 362 CA MET A 25 -10.603 -1.026 2.314 1.00 2.35 C ATOM 363 C MET A 25 -11.246 0.258 2.830 1.00 61.11 C ATOM 364 O MET A 25 -12.440 0.488 2.635 1.00 4.21 O ATOM 365 CB MET A 25 -9.372 -0.690 1.470 1.00 1.23 C ATOM 366 CG MET A 25 -9.562 0.523 0.574 1.00 74.45 C ATOM 367 SD MET A 25 -8.013 1.115 -0.133 1.00 25.53 S ATOM 368 CE MET A 25 -7.543 -0.288 -1.143 1.00 31.34 C ATOM 0 H MET A 25 -11.380 -1.804 0.528 1.00 1.43 H new ATOM 0 HA MET A 25 -10.295 -1.626 3.170 1.00 2.35 H new ATOM 0 HB2 MET A 25 -8.525 -0.513 2.133 1.00 1.23 H new ATOM 0 HB3 MET A 25 -9.119 -1.552 0.852 1.00 1.23 H new ATOM 0 HG2 MET A 25 -10.251 0.270 -0.232 1.00 74.45 H new ATOM 0 HG3 MET A 25 -10.024 1.325 1.149 1.00 74.45 H new ATOM 0 HE1 MET A 25 -6.469 -0.260 -1.327 1.00 31.34 H new ATOM 0 HE2 MET A 25 -7.798 -1.212 -0.624 1.00 31.34 H new ATOM 0 HE3 MET A 25 -8.075 -0.247 -2.093 1.00 31.34 H new ATOM 378 N LYS A 26 -10.448 1.091 3.489 1.00 43.13 N ATOM 379 CA LYS A 26 -10.938 2.352 4.032 1.00 41.32 C ATOM 380 C LYS A 26 -10.129 3.528 3.493 1.00 70.20 C ATOM 381 O LYS A 26 -10.678 4.591 3.204 1.00 53.14 O ATOM 382 CB LYS A 26 -10.873 2.333 5.561 1.00 64.33 C ATOM 383 CG LYS A 26 -12.231 2.457 6.229 1.00 3.12 C ATOM 384 CD LYS A 26 -12.124 2.319 7.739 1.00 40.33 C ATOM 385 CE LYS A 26 -12.284 0.872 8.179 1.00 54.31 C ATOM 386 NZ LYS A 26 -13.288 0.733 9.270 1.00 31.41 N ATOM 0 H LYS A 26 -9.458 0.915 3.660 1.00 43.13 H new ATOM 0 HA LYS A 26 -11.975 2.474 3.720 1.00 41.32 H new ATOM 0 HB2 LYS A 26 -10.402 1.405 5.885 1.00 64.33 H new ATOM 0 HB3 LYS A 26 -10.235 3.150 5.899 1.00 64.33 H new ATOM 0 HG2 LYS A 26 -12.673 3.422 5.981 1.00 3.12 H new ATOM 0 HG3 LYS A 26 -12.901 1.690 5.839 1.00 3.12 H new ATOM 0 HD2 LYS A 26 -11.158 2.697 8.072 1.00 40.33 H new ATOM 0 HD3 LYS A 26 -12.888 2.932 8.217 1.00 40.33 H new ATOM 0 HE2 LYS A 26 -12.587 0.264 7.326 1.00 54.31 H new ATOM 0 HE3 LYS A 26 -11.323 0.487 8.519 1.00 54.31 H new ATOM 0 HZ1 LYS A 26 -13.369 -0.267 9.542 1.00 31.41 H new ATOM 0 HZ2 LYS A 26 -12.986 1.293 10.093 1.00 31.41 H new ATOM 0 HZ3 LYS A 26 -14.212 1.077 8.938 1.00 31.41 H new ATOM 400 N TYR A 27 -8.822 3.329 3.359 1.00 15.14 N ATOM 401 CA TYR A 27 -7.938 4.373 2.856 1.00 51.23 C ATOM 402 C TYR A 27 -6.897 3.793 1.904 1.00 25.31 C ATOM 403 O TYR A 27 -6.462 2.651 2.062 1.00 42.13 O ATOM 404 CB TYR A 27 -7.243 5.086 4.017 1.00 51.10 C ATOM 405 CG TYR A 27 -6.859 6.515 3.707 1.00 2.23 C ATOM 406 CD1 TYR A 27 -7.830 7.480 3.467 1.00 22.14 C ATOM 407 CD2 TYR A 27 -5.525 6.901 3.653 1.00 31.14 C ATOM 408 CE1 TYR A 27 -7.484 8.787 3.183 1.00 25.24 C ATOM 409 CE2 TYR A 27 -5.170 8.206 3.372 1.00 63.34 C ATOM 410 CZ TYR A 27 -6.152 9.145 3.137 1.00 33.21 C ATOM 411 OH TYR A 27 -5.802 10.445 2.855 1.00 53.34 O ATOM 0 H TYR A 27 -8.352 2.454 3.592 1.00 15.14 H new ATOM 0 HA TYR A 27 -8.544 5.094 2.307 1.00 51.23 H new ATOM 0 HB2 TYR A 27 -7.902 5.076 4.885 1.00 51.10 H new ATOM 0 HB3 TYR A 27 -6.347 4.529 4.290 1.00 51.10 H new ATOM 0 HD1 TYR A 27 -8.873 7.203 3.503 1.00 22.14 H new ATOM 0 HD2 TYR A 27 -4.753 6.168 3.834 1.00 31.14 H new ATOM 0 HE1 TYR A 27 -8.251 9.524 2.998 1.00 25.24 H new ATOM 0 HE2 TYR A 27 -4.128 8.489 3.337 1.00 63.34 H new ATOM 0 HH TYR A 27 -5.436 10.867 3.660 1.00 53.34 H new ATOM 421 N LEU A 28 -6.500 4.587 0.916 1.00 2.21 N ATOM 422 CA LEU A 28 -5.508 4.154 -0.063 1.00 13.45 C ATOM 423 C LEU A 28 -4.327 5.118 -0.103 1.00 43.13 C ATOM 424 O LEU A 28 -4.502 6.325 -0.274 1.00 23.32 O ATOM 425 CB LEU A 28 -6.144 4.050 -1.450 1.00 20.11 C ATOM 426 CG LEU A 28 -5.176 4.045 -2.633 1.00 44.03 C ATOM 427 CD1 LEU A 28 -4.074 3.019 -2.417 1.00 41.22 C ATOM 428 CD2 LEU A 28 -5.920 3.765 -3.931 1.00 12.44 C ATOM 0 H LEU A 28 -6.850 5.534 0.771 1.00 2.21 H new ATOM 0 HA LEU A 28 -5.142 3.172 0.236 1.00 13.45 H new ATOM 0 HB2 LEU A 28 -6.738 3.137 -1.488 1.00 20.11 H new ATOM 0 HB3 LEU A 28 -6.834 4.884 -1.575 1.00 20.11 H new ATOM 0 HG LEU A 28 -4.718 5.031 -2.706 1.00 44.03 H new ATOM 0 HD11 LEU A 28 -3.395 3.030 -3.269 1.00 41.22 H new ATOM 0 HD12 LEU A 28 -3.522 3.264 -1.510 1.00 41.22 H new ATOM 0 HD13 LEU A 28 -4.515 2.027 -2.317 1.00 41.22 H new ATOM 0 HD21 LEU A 28 -5.215 3.765 -4.762 1.00 12.44 H new ATOM 0 HD22 LEU A 28 -6.407 2.792 -3.869 1.00 12.44 H new ATOM 0 HD23 LEU A 28 -6.672 4.537 -4.093 1.00 12.44 H new ATOM 440 N VAL A 29 -3.123 4.577 0.052 1.00 25.04 N ATOM 441 CA VAL A 29 -1.911 5.388 0.030 1.00 52.10 C ATOM 442 C VAL A 29 -0.795 4.687 -0.736 1.00 4.14 C ATOM 443 O VAL A 29 -0.392 3.576 -0.389 1.00 13.32 O ATOM 444 CB VAL A 29 -1.421 5.705 1.456 1.00 72.55 C ATOM 445 CG1 VAL A 29 -0.111 6.476 1.411 1.00 21.20 C ATOM 446 CG2 VAL A 29 -2.481 6.481 2.223 1.00 43.15 C ATOM 0 H VAL A 29 -2.961 3.580 0.194 1.00 25.04 H new ATOM 0 HA VAL A 29 -2.163 6.321 -0.474 1.00 52.10 H new ATOM 0 HB VAL A 29 -1.243 4.765 1.978 1.00 72.55 H new ATOM 0 HG11 VAL A 29 0.220 6.691 2.427 1.00 21.20 H new ATOM 0 HG12 VAL A 29 0.645 5.879 0.902 1.00 21.20 H new ATOM 0 HG13 VAL A 29 -0.258 7.412 0.872 1.00 21.20 H new ATOM 0 HG21 VAL A 29 -2.118 6.696 3.228 1.00 43.15 H new ATOM 0 HG22 VAL A 29 -2.693 7.417 1.705 1.00 43.15 H new ATOM 0 HG23 VAL A 29 -3.393 5.887 2.286 1.00 43.15 H new ATOM 456 N TYR A 30 -0.297 5.343 -1.778 1.00 54.30 N ATOM 457 CA TYR A 30 0.772 4.782 -2.595 1.00 3.42 C ATOM 458 C TYR A 30 1.589 5.888 -3.257 1.00 71.10 C ATOM 459 O TYR A 30 1.153 7.036 -3.331 1.00 53.31 O ATOM 460 CB TYR A 30 0.193 3.852 -3.662 1.00 24.23 C ATOM 461 CG TYR A 30 -0.411 4.583 -4.840 1.00 25.44 C ATOM 462 CD1 TYR A 30 0.367 4.936 -5.936 1.00 1.04 C ATOM 463 CD2 TYR A 30 -1.758 4.921 -4.856 1.00 70.43 C ATOM 464 CE1 TYR A 30 -0.180 5.604 -7.014 1.00 10.52 C ATOM 465 CE2 TYR A 30 -2.314 5.588 -5.931 1.00 21.43 C ATOM 466 CZ TYR A 30 -1.521 5.928 -7.007 1.00 21.52 C ATOM 467 OH TYR A 30 -2.071 6.593 -8.078 1.00 44.24 O ATOM 0 H TYR A 30 -0.617 6.264 -2.077 1.00 54.30 H new ATOM 0 HA TYR A 30 1.431 4.209 -1.942 1.00 3.42 H new ATOM 0 HB2 TYR A 30 0.981 3.190 -4.021 1.00 24.23 H new ATOM 0 HB3 TYR A 30 -0.570 3.221 -3.207 1.00 24.23 H new ATOM 0 HD1 TYR A 30 1.417 4.684 -5.945 1.00 1.04 H new ATOM 0 HD2 TYR A 30 -2.381 4.658 -4.014 1.00 70.43 H new ATOM 0 HE1 TYR A 30 0.439 5.871 -7.858 1.00 10.52 H new ATOM 0 HE2 TYR A 30 -3.364 5.842 -5.929 1.00 21.43 H new ATOM 0 HH TYR A 30 -3.025 6.744 -7.914 1.00 44.24 H new ATOM 477 N GLN A 31 2.776 5.531 -3.737 1.00 52.22 N ATOM 478 CA GLN A 31 3.654 6.492 -4.393 1.00 41.45 C ATOM 479 C GLN A 31 4.536 5.804 -5.430 1.00 4.42 C ATOM 480 O GLN A 31 4.777 4.599 -5.354 1.00 64.05 O ATOM 481 CB GLN A 31 4.525 7.208 -3.359 1.00 52.34 C ATOM 482 CG GLN A 31 5.712 6.384 -2.888 1.00 34.31 C ATOM 483 CD GLN A 31 6.728 7.208 -2.122 1.00 53.03 C ATOM 484 OE1 GLN A 31 7.934 7.084 -2.337 1.00 72.22 O ATOM 485 NE2 GLN A 31 6.245 8.057 -1.222 1.00 73.43 N ATOM 0 H GLN A 31 3.151 4.584 -3.684 1.00 52.22 H new ATOM 0 HA GLN A 31 3.031 7.226 -4.903 1.00 41.45 H new ATOM 0 HB2 GLN A 31 4.889 8.142 -3.787 1.00 52.34 H new ATOM 0 HB3 GLN A 31 3.911 7.470 -2.498 1.00 52.34 H new ATOM 0 HG2 GLN A 31 5.357 5.572 -2.254 1.00 34.31 H new ATOM 0 HG3 GLN A 31 6.197 5.927 -3.750 1.00 34.31 H new ATOM 0 HE21 GLN A 31 5.238 8.127 -1.076 1.00 73.43 H new ATOM 0 HE22 GLN A 31 6.881 8.639 -0.677 1.00 73.43 H new ATOM 494 N THR A 32 5.017 6.578 -6.399 1.00 15.04 N ATOM 495 CA THR A 32 5.871 6.043 -7.451 1.00 51.22 C ATOM 496 C THR A 32 7.345 6.202 -7.097 1.00 31.44 C ATOM 497 O THR A 32 7.765 7.248 -6.604 1.00 14.21 O ATOM 498 CB THR A 32 5.602 6.737 -8.800 1.00 34.30 C ATOM 499 OG1 THR A 32 4.227 6.578 -9.167 1.00 34.14 O ATOM 500 CG2 THR A 32 6.492 6.162 -9.891 1.00 43.32 C ATOM 0 H THR A 32 4.829 7.578 -6.476 1.00 15.04 H new ATOM 0 HA THR A 32 5.634 4.983 -7.542 1.00 51.22 H new ATOM 0 HB THR A 32 5.828 7.798 -8.689 1.00 34.30 H new ATOM 0 HG1 THR A 32 4.069 5.654 -9.453 1.00 34.14 H new ATOM 0 HG21 THR A 32 6.284 6.667 -10.834 1.00 43.32 H new ATOM 0 HG22 THR A 32 7.538 6.310 -9.623 1.00 43.32 H new ATOM 0 HG23 THR A 32 6.292 5.096 -9.999 1.00 43.32 H new ATOM 508 N GLU A 33 8.126 5.156 -7.351 1.00 52.31 N ATOM 509 CA GLU A 33 9.554 5.181 -7.058 1.00 0.31 C ATOM 510 C GLU A 33 10.369 4.800 -8.290 1.00 62.42 C ATOM 511 O GLU A 33 9.876 4.113 -9.185 1.00 14.35 O ATOM 512 CB GLU A 33 9.877 4.229 -5.904 1.00 41.42 C ATOM 513 CG GLU A 33 9.779 4.879 -4.534 1.00 23.41 C ATOM 514 CD GLU A 33 10.914 4.472 -3.613 1.00 74.04 C ATOM 515 OE1 GLU A 33 11.511 3.400 -3.845 1.00 11.24 O ATOM 516 OE2 GLU A 33 11.204 5.227 -2.661 1.00 73.45 O ATOM 0 H GLU A 33 7.794 4.282 -7.759 1.00 52.31 H new ATOM 0 HA GLU A 33 9.822 6.197 -6.767 1.00 0.31 H new ATOM 0 HB2 GLU A 33 9.195 3.379 -5.943 1.00 41.42 H new ATOM 0 HB3 GLU A 33 10.885 3.836 -6.039 1.00 41.42 H new ATOM 0 HG2 GLU A 33 9.780 5.963 -4.649 1.00 23.41 H new ATOM 0 HG3 GLU A 33 8.828 4.608 -4.075 1.00 23.41 H new ATOM 523 N GLN A 34 11.619 5.250 -8.328 1.00 50.25 N ATOM 524 CA GLN A 34 12.502 4.957 -9.451 1.00 61.01 C ATOM 525 C GLN A 34 13.373 3.740 -9.156 1.00 14.15 C ATOM 526 O GLN A 34 13.904 3.597 -8.055 1.00 72.12 O ATOM 527 CB GLN A 34 13.385 6.167 -9.762 1.00 72.14 C ATOM 528 CG GLN A 34 13.330 6.601 -11.218 1.00 41.41 C ATOM 529 CD GLN A 34 14.679 6.514 -11.904 1.00 41.42 C ATOM 530 OE1 GLN A 34 14.846 5.781 -12.879 1.00 43.55 O ATOM 531 NE2 GLN A 34 15.651 7.264 -11.397 1.00 51.13 N ATOM 0 H GLN A 34 12.043 5.818 -7.595 1.00 50.25 H new ATOM 0 HA GLN A 34 11.882 4.735 -10.320 1.00 61.01 H new ATOM 0 HB2 GLN A 34 13.079 7.001 -9.131 1.00 72.14 H new ATOM 0 HB3 GLN A 34 14.416 5.931 -9.500 1.00 72.14 H new ATOM 0 HG2 GLN A 34 12.614 5.977 -11.752 1.00 41.41 H new ATOM 0 HG3 GLN A 34 12.964 7.626 -11.274 1.00 41.41 H new ATOM 0 HE21 GLN A 34 15.468 7.857 -10.588 1.00 51.13 H new ATOM 0 HE22 GLN A 34 16.580 7.247 -11.817 1.00 51.13 H new ATOM 540 N GLY A 35 13.514 2.865 -10.146 1.00 61.24 N ATOM 541 CA GLY A 35 14.321 1.671 -9.972 1.00 75.02 C ATOM 542 C GLY A 35 14.148 0.683 -11.109 1.00 55.40 C ATOM 543 O GLY A 35 13.524 0.998 -12.122 1.00 65.45 O ATOM 0 H GLY A 35 13.084 2.961 -11.066 1.00 61.24 H new ATOM 0 HA2 GLY A 35 15.371 1.954 -9.897 1.00 75.02 H new ATOM 0 HA3 GLY A 35 14.053 1.189 -9.032 1.00 75.02 H new ATOM 547 N GLU A 36 14.702 -0.513 -10.941 1.00 71.21 N ATOM 548 CA GLU A 36 14.607 -1.549 -11.963 1.00 41.55 C ATOM 549 C GLU A 36 14.843 -0.964 -13.353 1.00 63.02 C ATOM 550 O GLU A 36 15.443 0.101 -13.496 1.00 62.25 O ATOM 551 CB GLU A 36 13.236 -2.226 -11.909 1.00 42.04 C ATOM 552 CG GLU A 36 12.098 -1.334 -12.375 1.00 13.12 C ATOM 553 CD GLU A 36 10.808 -2.100 -12.592 1.00 75.45 C ATOM 554 OE1 GLU A 36 10.877 -3.259 -13.053 1.00 62.22 O ATOM 555 OE2 GLU A 36 9.729 -1.542 -12.303 1.00 31.12 O ATOM 0 H GLU A 36 15.221 -0.789 -10.107 1.00 71.21 H new ATOM 0 HA GLU A 36 15.379 -2.292 -11.764 1.00 41.55 H new ATOM 0 HB2 GLU A 36 13.259 -3.124 -12.527 1.00 42.04 H new ATOM 0 HB3 GLU A 36 13.039 -2.548 -10.886 1.00 42.04 H new ATOM 0 HG2 GLU A 36 11.931 -0.550 -11.637 1.00 13.12 H new ATOM 0 HG3 GLU A 36 12.384 -0.842 -13.304 1.00 13.12 H new ATOM 562 N ALA A 37 14.367 -1.669 -14.374 1.00 63.40 N ATOM 563 CA ALA A 37 14.525 -1.221 -15.752 1.00 14.21 C ATOM 564 C ALA A 37 13.893 0.152 -15.958 1.00 4.03 C ATOM 565 O ALA A 37 13.526 0.827 -14.997 1.00 50.43 O ATOM 566 CB ALA A 37 13.914 -2.233 -16.710 1.00 23.44 C ATOM 0 H ALA A 37 13.869 -2.553 -14.273 1.00 63.40 H new ATOM 0 HA ALA A 37 15.592 -1.137 -15.961 1.00 14.21 H new ATOM 0 HB1 ALA A 37 14.039 -1.885 -17.735 1.00 23.44 H new ATOM 0 HB2 ALA A 37 14.412 -3.195 -16.590 1.00 23.44 H new ATOM 0 HB3 ALA A 37 12.852 -2.345 -16.492 1.00 23.44 H new ATOM 572 N GLY A 38 13.771 0.559 -17.218 1.00 1.45 N ATOM 573 CA GLY A 38 13.185 1.851 -17.526 1.00 33.40 C ATOM 574 C GLY A 38 11.849 2.060 -16.840 1.00 62.42 C ATOM 575 O GLY A 38 11.429 3.194 -16.618 1.00 52.34 O ATOM 0 H GLY A 38 14.067 0.018 -18.030 1.00 1.45 H new ATOM 0 HA2 GLY A 38 13.873 2.640 -17.223 1.00 33.40 H new ATOM 0 HA3 GLY A 38 13.054 1.939 -18.604 1.00 33.40 H new ATOM 579 N ASN A 39 11.180 0.962 -16.505 1.00 33.51 N ATOM 580 CA ASN A 39 9.882 1.030 -15.842 1.00 62.13 C ATOM 581 C ASN A 39 10.038 1.443 -14.382 1.00 23.11 C ATOM 582 O ASN A 39 11.143 1.435 -13.839 1.00 24.41 O ATOM 583 CB ASN A 39 9.170 -0.322 -15.928 1.00 45.24 C ATOM 584 CG ASN A 39 9.426 -1.027 -17.246 1.00 43.04 C ATOM 585 OD1 ASN A 39 8.939 -0.603 -18.295 1.00 22.23 O ATOM 586 ND2 ASN A 39 10.194 -2.110 -17.199 1.00 13.42 N ATOM 0 H ASN A 39 11.515 0.015 -16.681 1.00 33.51 H new ATOM 0 HA ASN A 39 9.281 1.783 -16.352 1.00 62.13 H new ATOM 0 HB2 ASN A 39 9.503 -0.958 -15.108 1.00 45.24 H new ATOM 0 HB3 ASN A 39 8.098 -0.174 -15.801 1.00 45.24 H new ATOM 0 HD21 ASN A 39 10.401 -2.626 -18.054 1.00 13.42 H new ATOM 0 HD22 ASN A 39 10.577 -2.426 -16.308 1.00 13.42 H new ATOM 593 N ILE A 40 8.925 1.803 -13.752 1.00 71.15 N ATOM 594 CA ILE A 40 8.938 2.217 -12.355 1.00 51.31 C ATOM 595 C ILE A 40 8.134 1.254 -11.489 1.00 14.25 C ATOM 596 O ILE A 40 7.402 0.406 -11.999 1.00 73.23 O ATOM 597 CB ILE A 40 8.371 3.639 -12.184 1.00 44.23 C ATOM 598 CG1 ILE A 40 7.114 3.816 -13.037 1.00 53.55 C ATOM 599 CG2 ILE A 40 9.421 4.676 -12.556 1.00 71.24 C ATOM 600 CD1 ILE A 40 6.505 5.197 -12.936 1.00 54.42 C ATOM 0 H ILE A 40 8.003 1.816 -14.187 1.00 71.15 H new ATOM 0 HA ILE A 40 9.979 2.209 -12.033 1.00 51.31 H new ATOM 0 HB ILE A 40 8.101 3.783 -11.138 1.00 44.23 H new ATOM 0 HG12 ILE A 40 7.360 3.612 -14.079 1.00 53.55 H new ATOM 0 HG13 ILE A 40 6.372 3.077 -12.734 1.00 53.55 H new ATOM 0 HG21 ILE A 40 9.006 5.676 -12.430 1.00 71.24 H new ATOM 0 HG22 ILE A 40 10.291 4.561 -11.910 1.00 71.24 H new ATOM 0 HG23 ILE A 40 9.719 4.535 -13.595 1.00 71.24 H new ATOM 0 HD11 ILE A 40 5.618 5.250 -13.567 1.00 54.42 H new ATOM 0 HD12 ILE A 40 6.227 5.397 -11.901 1.00 54.42 H new ATOM 0 HD13 ILE A 40 7.231 5.940 -13.267 1.00 54.42 H new ATOM 612 N HIS A 41 8.273 1.392 -10.174 1.00 0.32 N ATOM 613 CA HIS A 41 7.557 0.536 -9.235 1.00 22.30 C ATOM 614 C HIS A 41 6.740 1.370 -8.253 1.00 72.22 C ATOM 615 O HIS A 41 7.074 2.521 -7.972 1.00 24.31 O ATOM 616 CB HIS A 41 8.540 -0.353 -8.472 1.00 73.52 C ATOM 617 CG HIS A 41 9.804 0.348 -8.083 1.00 4.03 C ATOM 618 ND1 HIS A 41 11.032 -0.279 -8.043 1.00 74.52 N ATOM 619 CD2 HIS A 41 10.028 1.632 -7.716 1.00 32.41 C ATOM 620 CE1 HIS A 41 11.955 0.587 -7.667 1.00 51.21 C ATOM 621 NE2 HIS A 41 11.372 1.755 -7.463 1.00 31.33 N ATOM 0 H HIS A 41 8.875 2.089 -9.735 1.00 0.32 H new ATOM 0 HA HIS A 41 6.874 -0.095 -9.804 1.00 22.30 H new ATOM 0 HB2 HIS A 41 8.053 -0.731 -7.573 1.00 73.52 H new ATOM 0 HB3 HIS A 41 8.788 -1.217 -9.088 1.00 73.52 H new ATOM 0 HD1 HIS A 41 11.201 -1.259 -8.269 1.00 74.52 H new ATOM 0 HD2 HIS A 41 9.287 2.414 -7.637 1.00 32.41 H new ATOM 0 HE1 HIS A 41 13.007 0.376 -7.547 1.00 51.21 H new ATOM 629 N PHE A 42 5.666 0.782 -7.736 1.00 23.25 N ATOM 630 CA PHE A 42 4.800 1.471 -6.787 1.00 11.35 C ATOM 631 C PHE A 42 5.035 0.964 -5.367 1.00 25.30 C ATOM 632 O PHE A 42 5.269 -0.226 -5.153 1.00 55.34 O ATOM 633 CB PHE A 42 3.332 1.280 -7.172 1.00 34.33 C ATOM 634 CG PHE A 42 2.863 2.227 -8.239 1.00 1.33 C ATOM 635 CD1 PHE A 42 3.686 2.554 -9.304 1.00 65.31 C ATOM 636 CD2 PHE A 42 1.599 2.792 -8.176 1.00 4.22 C ATOM 637 CE1 PHE A 42 3.258 3.425 -10.288 1.00 4.21 C ATOM 638 CE2 PHE A 42 1.166 3.664 -9.157 1.00 32.22 C ATOM 639 CZ PHE A 42 1.997 3.982 -10.213 1.00 74.34 C ATOM 0 H PHE A 42 5.375 -0.170 -7.958 1.00 23.25 H new ATOM 0 HA PHE A 42 5.042 2.533 -6.819 1.00 11.35 H new ATOM 0 HB2 PHE A 42 3.185 0.256 -7.516 1.00 34.33 H new ATOM 0 HB3 PHE A 42 2.712 1.410 -6.285 1.00 34.33 H new ATOM 0 HD1 PHE A 42 4.674 2.123 -9.366 1.00 65.31 H new ATOM 0 HD2 PHE A 42 0.945 2.548 -7.352 1.00 4.22 H new ATOM 0 HE1 PHE A 42 3.909 3.670 -11.114 1.00 4.21 H new ATOM 0 HE2 PHE A 42 0.178 4.096 -9.098 1.00 32.22 H new ATOM 0 HZ PHE A 42 1.661 4.665 -10.979 1.00 74.34 H new ATOM 649 N GLN A 43 4.973 1.875 -4.401 1.00 63.32 N ATOM 650 CA GLN A 43 5.181 1.520 -3.002 1.00 71.33 C ATOM 651 C GLN A 43 4.308 2.373 -2.089 1.00 14.33 C ATOM 652 O GLN A 43 4.079 3.552 -2.356 1.00 2.34 O ATOM 653 CB GLN A 43 6.653 1.689 -2.624 1.00 44.23 C ATOM 654 CG GLN A 43 7.392 0.372 -2.449 1.00 40.21 C ATOM 655 CD GLN A 43 8.800 0.413 -3.010 1.00 53.53 C ATOM 656 OE1 GLN A 43 9.779 0.406 -2.263 1.00 54.14 O ATOM 657 NE2 GLN A 43 8.909 0.457 -4.333 1.00 10.00 N ATOM 0 H GLN A 43 4.781 2.864 -4.561 1.00 63.32 H new ATOM 0 HA GLN A 43 4.898 0.475 -2.873 1.00 71.33 H new ATOM 0 HB2 GLN A 43 7.152 2.276 -3.395 1.00 44.23 H new ATOM 0 HB3 GLN A 43 6.718 2.259 -1.697 1.00 44.23 H new ATOM 0 HG2 GLN A 43 7.435 0.122 -1.389 1.00 40.21 H new ATOM 0 HG3 GLN A 43 6.832 -0.423 -2.942 1.00 40.21 H new ATOM 0 HE21 GLN A 43 8.071 0.461 -4.914 1.00 10.00 H new ATOM 0 HE22 GLN A 43 9.831 0.487 -4.768 1.00 10.00 H new ATOM 666 N GLY A 44 3.821 1.769 -1.009 1.00 20.21 N ATOM 667 CA GLY A 44 2.978 2.488 -0.073 1.00 14.54 C ATOM 668 C GLY A 44 2.288 1.567 0.914 1.00 62.44 C ATOM 669 O GLY A 44 2.611 0.381 0.996 1.00 2.43 O ATOM 0 H GLY A 44 3.996 0.794 -0.766 1.00 20.21 H new ATOM 0 HA2 GLY A 44 3.583 3.212 0.473 1.00 14.54 H new ATOM 0 HA3 GLY A 44 2.226 3.052 -0.625 1.00 14.54 H new ATOM 673 N TYR A 45 1.337 2.111 1.665 1.00 44.05 N ATOM 674 CA TYR A 45 0.603 1.330 2.653 1.00 4.22 C ATOM 675 C TYR A 45 -0.898 1.390 2.390 1.00 51.44 C ATOM 676 O TYR A 45 -1.429 2.429 1.995 1.00 0.12 O ATOM 677 CB TYR A 45 0.906 1.840 4.063 1.00 13.13 C ATOM 678 CG TYR A 45 0.464 3.267 4.299 1.00 45.03 C ATOM 679 CD1 TYR A 45 -0.859 3.565 4.599 1.00 72.21 C ATOM 680 CD2 TYR A 45 1.370 4.317 4.220 1.00 5.32 C ATOM 681 CE1 TYR A 45 -1.267 4.867 4.814 1.00 13.01 C ATOM 682 CE2 TYR A 45 0.972 5.622 4.435 1.00 13.33 C ATOM 683 CZ TYR A 45 -0.348 5.892 4.732 1.00 51.13 C ATOM 684 OH TYR A 45 -0.750 7.191 4.945 1.00 24.23 O ATOM 0 H TYR A 45 1.056 3.090 1.608 1.00 44.05 H new ATOM 0 HA TYR A 45 0.926 0.292 2.571 1.00 4.22 H new ATOM 0 HB2 TYR A 45 0.414 1.192 4.788 1.00 13.13 H new ATOM 0 HB3 TYR A 45 1.978 1.766 4.244 1.00 13.13 H new ATOM 0 HD1 TYR A 45 -1.581 2.765 4.665 1.00 72.21 H new ATOM 0 HD2 TYR A 45 2.404 4.109 3.986 1.00 5.32 H new ATOM 0 HE1 TYR A 45 -2.300 5.081 5.045 1.00 13.01 H new ATOM 0 HE2 TYR A 45 1.690 6.426 4.371 1.00 13.33 H new ATOM 0 HH TYR A 45 0.019 7.791 4.851 1.00 24.23 H new ATOM 694 N ILE A 46 -1.576 0.270 2.611 1.00 33.50 N ATOM 695 CA ILE A 46 -3.017 0.194 2.400 1.00 45.25 C ATOM 696 C ILE A 46 -3.715 -0.442 3.596 1.00 33.31 C ATOM 697 O ILE A 46 -3.344 -1.529 4.038 1.00 60.13 O ATOM 698 CB ILE A 46 -3.358 -0.611 1.132 1.00 51.11 C ATOM 699 CG1 ILE A 46 -2.617 -0.038 -0.078 1.00 1.22 C ATOM 700 CG2 ILE A 46 -4.860 -0.607 0.890 1.00 12.44 C ATOM 701 CD1 ILE A 46 -2.716 -0.905 -1.313 1.00 43.14 C ATOM 0 H ILE A 46 -1.151 -0.598 2.936 1.00 33.50 H new ATOM 0 HA ILE A 46 -3.373 1.217 2.278 1.00 45.25 H new ATOM 0 HB ILE A 46 -3.035 -1.642 1.277 1.00 51.11 H new ATOM 0 HG12 ILE A 46 -3.017 0.950 -0.305 1.00 1.22 H new ATOM 0 HG13 ILE A 46 -1.566 0.095 0.179 1.00 1.22 H new ATOM 0 HG21 ILE A 46 -5.085 -1.180 -0.010 1.00 12.44 H new ATOM 0 HG22 ILE A 46 -5.367 -1.057 1.743 1.00 12.44 H new ATOM 0 HG23 ILE A 46 -5.205 0.419 0.763 1.00 12.44 H new ATOM 0 HD11 ILE A 46 -2.168 -0.437 -2.131 1.00 43.14 H new ATOM 0 HD12 ILE A 46 -2.289 -1.886 -1.104 1.00 43.14 H new ATOM 0 HD13 ILE A 46 -3.763 -1.018 -1.596 1.00 43.14 H new ATOM 713 N GLU A 47 -4.730 0.242 4.115 1.00 52.11 N ATOM 714 CA GLU A 47 -5.482 -0.258 5.260 1.00 2.10 C ATOM 715 C GLU A 47 -6.830 -0.822 4.822 1.00 71.15 C ATOM 716 O GLU A 47 -7.656 -0.111 4.249 1.00 24.22 O ATOM 717 CB GLU A 47 -5.693 0.857 6.286 1.00 4.41 C ATOM 718 CG GLU A 47 -4.445 1.682 6.554 1.00 42.12 C ATOM 719 CD GLU A 47 -4.133 1.805 8.033 1.00 62.04 C ATOM 720 OE1 GLU A 47 -3.683 0.805 8.630 1.00 72.23 O ATOM 721 OE2 GLU A 47 -4.338 2.902 8.592 1.00 12.44 O ATOM 0 H GLU A 47 -5.050 1.143 3.761 1.00 52.11 H new ATOM 0 HA GLU A 47 -4.904 -1.060 5.719 1.00 2.10 H new ATOM 0 HB2 GLU A 47 -6.486 1.517 5.935 1.00 4.41 H new ATOM 0 HB3 GLU A 47 -6.036 0.417 7.223 1.00 4.41 H new ATOM 0 HG2 GLU A 47 -3.596 1.226 6.044 1.00 42.12 H new ATOM 0 HG3 GLU A 47 -4.574 2.678 6.130 1.00 42.12 H new ATOM 728 N MET A 48 -7.045 -2.105 5.094 1.00 1.02 N ATOM 729 CA MET A 48 -8.293 -2.765 4.729 1.00 41.05 C ATOM 730 C MET A 48 -9.391 -2.449 5.739 1.00 72.41 C ATOM 731 O MET A 48 -9.170 -1.717 6.703 1.00 10.34 O ATOM 732 CB MET A 48 -8.087 -4.278 4.638 1.00 61.24 C ATOM 733 CG MET A 48 -7.216 -4.704 3.467 1.00 52.35 C ATOM 734 SD MET A 48 -8.161 -5.496 2.151 1.00 43.24 S ATOM 735 CE MET A 48 -8.731 -4.066 1.236 1.00 55.34 C ATOM 0 H MET A 48 -6.371 -2.708 5.566 1.00 1.02 H new ATOM 0 HA MET A 48 -8.602 -2.389 3.754 1.00 41.05 H new ATOM 0 HB2 MET A 48 -7.634 -4.631 5.564 1.00 61.24 H new ATOM 0 HB3 MET A 48 -9.059 -4.764 4.553 1.00 61.24 H new ATOM 0 HG2 MET A 48 -6.702 -3.831 3.065 1.00 52.35 H new ATOM 0 HG3 MET A 48 -6.448 -5.391 3.822 1.00 52.35 H new ATOM 0 HE1 MET A 48 -9.816 -3.993 1.314 1.00 55.34 H new ATOM 0 HE2 MET A 48 -8.276 -3.165 1.648 1.00 55.34 H new ATOM 0 HE3 MET A 48 -8.449 -4.168 0.188 1.00 55.34 H new ATOM 745 N LYS A 49 -10.576 -3.006 5.512 1.00 62.53 N ATOM 746 CA LYS A 49 -11.709 -2.786 6.402 1.00 11.22 C ATOM 747 C LYS A 49 -11.339 -3.114 7.845 1.00 34.41 C ATOM 748 O LYS A 49 -11.419 -2.260 8.728 1.00 50.44 O ATOM 749 CB LYS A 49 -12.902 -3.638 5.964 1.00 53.24 C ATOM 750 CG LYS A 49 -14.209 -2.866 5.897 1.00 21.31 C ATOM 751 CD LYS A 49 -15.170 -3.483 4.895 1.00 34.33 C ATOM 752 CE LYS A 49 -16.091 -2.436 4.289 1.00 54.33 C ATOM 753 NZ LYS A 49 -17.498 -2.600 4.749 1.00 70.50 N ATOM 0 H LYS A 49 -10.776 -3.614 4.718 1.00 62.53 H new ATOM 0 HA LYS A 49 -11.983 -1.733 6.346 1.00 11.22 H new ATOM 0 HB2 LYS A 49 -12.692 -4.066 4.984 1.00 53.24 H new ATOM 0 HB3 LYS A 49 -13.017 -4.471 6.657 1.00 53.24 H new ATOM 0 HG2 LYS A 49 -14.673 -2.847 6.883 1.00 21.31 H new ATOM 0 HG3 LYS A 49 -14.008 -1.831 5.620 1.00 21.31 H new ATOM 0 HD2 LYS A 49 -14.605 -3.975 4.103 1.00 34.33 H new ATOM 0 HD3 LYS A 49 -15.766 -4.252 5.387 1.00 34.33 H new ATOM 0 HE2 LYS A 49 -15.735 -1.441 4.557 1.00 54.33 H new ATOM 0 HE3 LYS A 49 -16.054 -2.506 3.202 1.00 54.33 H new ATOM 0 HZ1 LYS A 49 -18.093 -1.867 4.313 1.00 70.50 H new ATOM 0 HZ2 LYS A 49 -17.847 -3.540 4.471 1.00 70.50 H new ATOM 0 HZ3 LYS A 49 -17.538 -2.508 5.784 1.00 70.50 H new ATOM 767 N LYS A 50 -10.933 -4.358 8.078 1.00 13.25 N ATOM 768 CA LYS A 50 -10.548 -4.800 9.414 1.00 51.44 C ATOM 769 C LYS A 50 -10.147 -6.271 9.405 1.00 21.21 C ATOM 770 O LYS A 50 -8.967 -6.603 9.520 1.00 21.11 O ATOM 771 CB LYS A 50 -11.699 -4.579 10.398 1.00 70.51 C ATOM 772 CG LYS A 50 -11.406 -3.523 11.449 1.00 35.13 C ATOM 773 CD LYS A 50 -12.653 -3.165 12.242 1.00 65.21 C ATOM 774 CE LYS A 50 -12.823 -4.072 13.451 1.00 13.44 C ATOM 775 NZ LYS A 50 -14.011 -3.692 14.266 1.00 70.25 N ATOM 0 H LYS A 50 -10.862 -5.078 7.359 1.00 13.25 H new ATOM 0 HA LYS A 50 -9.689 -4.210 9.732 1.00 51.44 H new ATOM 0 HB2 LYS A 50 -12.591 -4.289 9.842 1.00 70.51 H new ATOM 0 HB3 LYS A 50 -11.927 -5.522 10.896 1.00 70.51 H new ATOM 0 HG2 LYS A 50 -10.634 -3.887 12.127 1.00 35.13 H new ATOM 0 HG3 LYS A 50 -11.011 -2.629 10.967 1.00 35.13 H new ATOM 0 HD2 LYS A 50 -12.592 -2.127 12.570 1.00 65.21 H new ATOM 0 HD3 LYS A 50 -13.530 -3.245 11.599 1.00 65.21 H new ATOM 0 HE2 LYS A 50 -12.926 -5.105 13.119 1.00 13.44 H new ATOM 0 HE3 LYS A 50 -11.927 -4.024 14.070 1.00 13.44 H new ATOM 0 HZ1 LYS A 50 -14.093 -4.333 15.081 1.00 70.25 H new ATOM 0 HZ2 LYS A 50 -13.902 -2.715 14.604 1.00 70.25 H new ATOM 0 HZ3 LYS A 50 -14.869 -3.762 13.683 1.00 70.25 H new ATOM 789 N ARG A 51 -11.135 -7.149 9.267 1.00 54.41 N ATOM 790 CA ARG A 51 -10.885 -8.585 9.243 1.00 3.40 C ATOM 791 C ARG A 51 -10.627 -9.068 7.819 1.00 55.03 C ATOM 792 O ARG A 51 -11.199 -10.066 7.377 1.00 45.31 O ATOM 793 CB ARG A 51 -12.071 -9.341 9.843 1.00 32.03 C ATOM 794 CG ARG A 51 -11.672 -10.594 10.606 1.00 40.14 C ATOM 795 CD ARG A 51 -11.380 -10.288 12.066 1.00 4.12 C ATOM 796 NE ARG A 51 -9.968 -10.471 12.392 1.00 62.41 N ATOM 797 CZ ARG A 51 -9.433 -10.134 13.560 1.00 34.33 C ATOM 798 NH1 ARG A 51 -10.189 -9.600 14.509 1.00 14.43 N ATOM 799 NH2 ARG A 51 -8.140 -10.332 13.782 1.00 71.44 N ATOM 0 H ARG A 51 -12.117 -6.891 9.170 1.00 54.41 H new ATOM 0 HA ARG A 51 -9.996 -8.784 9.842 1.00 3.40 H new ATOM 0 HB2 ARG A 51 -12.614 -8.675 10.514 1.00 32.03 H new ATOM 0 HB3 ARG A 51 -12.758 -9.616 9.043 1.00 32.03 H new ATOM 0 HG2 ARG A 51 -12.472 -11.331 10.541 1.00 40.14 H new ATOM 0 HG3 ARG A 51 -10.791 -11.038 10.143 1.00 40.14 H new ATOM 0 HD2 ARG A 51 -11.673 -9.262 12.287 1.00 4.12 H new ATOM 0 HD3 ARG A 51 -11.985 -10.936 12.700 1.00 4.12 H new ATOM 0 HE ARG A 51 -9.359 -10.880 11.683 1.00 62.41 H new ATOM 0 HH11 ARG A 51 -11.184 -9.447 14.343 1.00 14.43 H new ATOM 0 HH12 ARG A 51 -9.776 -9.342 15.405 1.00 14.43 H new ATOM 0 HH21 ARG A 51 -7.555 -10.744 13.055 1.00 71.44 H new ATOM 0 HH22 ARG A 51 -7.731 -10.072 14.680 1.00 71.44 H new ATOM 813 N THR A 52 -9.764 -8.353 7.103 1.00 31.45 N ATOM 814 CA THR A 52 -9.432 -8.708 5.729 1.00 14.33 C ATOM 815 C THR A 52 -8.007 -9.237 5.627 1.00 64.22 C ATOM 816 O THR A 52 -7.045 -8.513 5.884 1.00 13.23 O ATOM 817 CB THR A 52 -9.589 -7.501 4.785 1.00 60.14 C ATOM 818 OG1 THR A 52 -10.457 -6.527 5.374 1.00 13.10 O ATOM 819 CG2 THR A 52 -10.147 -7.937 3.438 1.00 12.12 C ATOM 0 H THR A 52 -9.283 -7.525 7.453 1.00 31.45 H new ATOM 0 HA THR A 52 -10.129 -9.490 5.427 1.00 14.33 H new ATOM 0 HB THR A 52 -8.604 -7.061 4.628 1.00 60.14 H new ATOM 0 HG1 THR A 52 -10.927 -6.038 4.667 1.00 13.10 H new ATOM 0 HG21 THR A 52 -10.249 -7.068 2.788 1.00 12.12 H new ATOM 0 HG22 THR A 52 -9.469 -8.656 2.979 1.00 12.12 H new ATOM 0 HG23 THR A 52 -11.123 -8.400 3.581 1.00 12.12 H new ATOM 827 N SER A 53 -7.877 -10.505 5.249 1.00 42.24 N ATOM 828 CA SER A 53 -6.567 -11.132 5.115 1.00 33.31 C ATOM 829 C SER A 53 -5.880 -10.686 3.828 1.00 4.25 C ATOM 830 O SER A 53 -6.428 -9.895 3.060 1.00 41.13 O ATOM 831 CB SER A 53 -6.704 -12.656 5.131 1.00 14.02 C ATOM 832 OG SER A 53 -7.886 -13.069 4.466 1.00 3.21 O ATOM 0 H SER A 53 -8.662 -11.118 5.030 1.00 42.24 H new ATOM 0 HA SER A 53 -5.954 -10.820 5.961 1.00 33.31 H new ATOM 0 HB2 SER A 53 -5.836 -13.107 4.650 1.00 14.02 H new ATOM 0 HB3 SER A 53 -6.719 -13.012 6.161 1.00 14.02 H new ATOM 0 HG SER A 53 -7.949 -14.047 4.489 1.00 3.21 H new ATOM 838 N LEU A 54 -4.675 -11.198 3.601 1.00 72.04 N ATOM 839 CA LEU A 54 -3.910 -10.853 2.407 1.00 35.12 C ATOM 840 C LEU A 54 -4.743 -11.065 1.147 1.00 61.32 C ATOM 841 O LEU A 54 -4.560 -10.372 0.146 1.00 31.44 O ATOM 842 CB LEU A 54 -2.633 -11.692 2.336 1.00 53.12 C ATOM 843 CG LEU A 54 -1.705 -11.402 1.156 1.00 2.10 C ATOM 844 CD1 LEU A 54 -1.405 -9.914 1.066 1.00 53.42 C ATOM 845 CD2 LEU A 54 -0.416 -12.200 1.283 1.00 63.50 C ATOM 0 H LEU A 54 -4.207 -11.853 4.227 1.00 72.04 H new ATOM 0 HA LEU A 54 -3.641 -9.798 2.469 1.00 35.12 H new ATOM 0 HB2 LEU A 54 -2.072 -11.543 3.259 1.00 53.12 H new ATOM 0 HB3 LEU A 54 -2.915 -12.744 2.301 1.00 53.12 H new ATOM 0 HG LEU A 54 -2.209 -11.707 0.239 1.00 2.10 H new ATOM 0 HD11 LEU A 54 -0.743 -9.727 0.220 1.00 53.42 H new ATOM 0 HD12 LEU A 54 -2.335 -9.363 0.928 1.00 53.42 H new ATOM 0 HD13 LEU A 54 -0.921 -9.584 1.985 1.00 53.42 H new ATOM 0 HD21 LEU A 54 0.232 -11.981 0.435 1.00 63.50 H new ATOM 0 HD22 LEU A 54 0.092 -11.926 2.208 1.00 63.50 H new ATOM 0 HD23 LEU A 54 -0.647 -13.265 1.298 1.00 63.50 H new ATOM 857 N ALA A 55 -5.659 -12.026 1.204 1.00 60.52 N ATOM 858 CA ALA A 55 -6.523 -12.327 0.069 1.00 44.04 C ATOM 859 C ALA A 55 -7.263 -11.080 -0.403 1.00 71.20 C ATOM 860 O ALA A 55 -7.555 -10.931 -1.589 1.00 1.12 O ATOM 861 CB ALA A 55 -7.512 -13.424 0.434 1.00 65.13 C ATOM 0 H ALA A 55 -5.822 -12.610 2.024 1.00 60.52 H new ATOM 0 HA ALA A 55 -5.896 -12.677 -0.751 1.00 44.04 H new ATOM 0 HB1 ALA A 55 -8.151 -13.638 -0.423 1.00 65.13 H new ATOM 0 HB2 ALA A 55 -6.968 -14.326 0.715 1.00 65.13 H new ATOM 0 HB3 ALA A 55 -8.127 -13.095 1.272 1.00 65.13 H new ATOM 867 N GLY A 56 -7.565 -10.187 0.534 1.00 11.42 N ATOM 868 CA GLY A 56 -8.270 -8.965 0.194 1.00 11.53 C ATOM 869 C GLY A 56 -7.409 -7.999 -0.596 1.00 73.44 C ATOM 870 O GLY A 56 -7.847 -7.452 -1.608 1.00 35.31 O ATOM 0 H GLY A 56 -7.334 -10.288 1.522 1.00 11.42 H new ATOM 0 HA2 GLY A 56 -9.159 -9.212 -0.386 1.00 11.53 H new ATOM 0 HA3 GLY A 56 -8.610 -8.479 1.108 1.00 11.53 H new ATOM 874 N MET A 57 -6.181 -7.789 -0.134 1.00 14.43 N ATOM 875 CA MET A 57 -5.257 -6.882 -0.805 1.00 53.12 C ATOM 876 C MET A 57 -4.744 -7.494 -2.105 1.00 4.53 C ATOM 877 O MET A 57 -4.703 -6.831 -3.141 1.00 44.44 O ATOM 878 CB MET A 57 -4.081 -6.546 0.114 1.00 53.53 C ATOM 879 CG MET A 57 -4.499 -5.892 1.421 1.00 31.52 C ATOM 880 SD MET A 57 -4.399 -4.093 1.362 1.00 21.21 S ATOM 881 CE MET A 57 -5.724 -3.718 0.217 1.00 14.34 C ATOM 0 H MET A 57 -5.803 -8.234 0.702 1.00 14.43 H new ATOM 0 HA MET A 57 -5.795 -5.965 -1.043 1.00 53.12 H new ATOM 0 HB2 MET A 57 -3.530 -7.460 0.335 1.00 53.53 H new ATOM 0 HB3 MET A 57 -3.397 -5.881 -0.413 1.00 53.53 H new ATOM 0 HG2 MET A 57 -5.521 -6.187 1.660 1.00 31.52 H new ATOM 0 HG3 MET A 57 -3.864 -6.261 2.226 1.00 31.52 H new ATOM 0 HE1 MET A 57 -5.302 -3.443 -0.750 1.00 14.34 H new ATOM 0 HE2 MET A 57 -6.361 -4.594 0.099 1.00 14.34 H new ATOM 0 HE3 MET A 57 -6.316 -2.889 0.604 1.00 14.34 H new ATOM 891 N LYS A 58 -4.352 -8.762 -2.042 1.00 51.34 N ATOM 892 CA LYS A 58 -3.842 -9.464 -3.214 1.00 4.22 C ATOM 893 C LYS A 58 -4.829 -9.377 -4.373 1.00 44.45 C ATOM 894 O LYS A 58 -4.432 -9.325 -5.538 1.00 2.22 O ATOM 895 CB LYS A 58 -3.565 -10.930 -2.875 1.00 32.33 C ATOM 896 CG LYS A 58 -2.333 -11.492 -3.563 1.00 73.11 C ATOM 897 CD LYS A 58 -1.320 -12.012 -2.557 1.00 14.22 C ATOM 898 CE LYS A 58 -1.842 -13.239 -1.824 1.00 45.42 C ATOM 899 NZ LYS A 58 -1.610 -14.488 -2.600 1.00 64.24 N ATOM 0 H LYS A 58 -4.378 -9.325 -1.192 1.00 51.34 H new ATOM 0 HA LYS A 58 -2.911 -8.985 -3.517 1.00 4.22 H new ATOM 0 HB2 LYS A 58 -3.445 -11.028 -1.796 1.00 32.33 H new ATOM 0 HB3 LYS A 58 -4.432 -11.529 -3.155 1.00 32.33 H new ATOM 0 HG2 LYS A 58 -2.627 -12.299 -4.235 1.00 73.11 H new ATOM 0 HG3 LYS A 58 -1.873 -10.718 -4.177 1.00 73.11 H new ATOM 0 HD2 LYS A 58 -0.391 -12.261 -3.070 1.00 14.22 H new ATOM 0 HD3 LYS A 58 -1.086 -11.228 -1.836 1.00 14.22 H new ATOM 0 HE2 LYS A 58 -1.352 -13.318 -0.853 1.00 45.42 H new ATOM 0 HE3 LYS A 58 -2.909 -13.122 -1.634 1.00 45.42 H new ATOM 0 HZ1 LYS A 58 -1.979 -15.301 -2.067 1.00 64.24 H new ATOM 0 HZ2 LYS A 58 -2.098 -14.423 -3.516 1.00 64.24 H new ATOM 0 HZ3 LYS A 58 -0.590 -14.613 -2.760 1.00 64.24 H new ATOM 913 N LYS A 59 -6.117 -9.359 -4.048 1.00 23.20 N ATOM 914 CA LYS A 59 -7.161 -9.275 -5.062 1.00 35.14 C ATOM 915 C LYS A 59 -6.978 -8.035 -5.931 1.00 10.15 C ATOM 916 O LYS A 59 -7.209 -8.072 -7.140 1.00 13.12 O ATOM 917 CB LYS A 59 -8.541 -9.248 -4.400 1.00 53.03 C ATOM 918 CG LYS A 59 -9.398 -10.457 -4.731 1.00 74.44 C ATOM 919 CD LYS A 59 -10.680 -10.473 -3.915 1.00 24.44 C ATOM 920 CE LYS A 59 -11.577 -11.636 -4.309 1.00 34.23 C ATOM 921 NZ LYS A 59 -13.018 -11.263 -4.269 1.00 13.40 N ATOM 0 H LYS A 59 -6.463 -9.402 -3.089 1.00 23.20 H new ATOM 0 HA LYS A 59 -7.086 -10.157 -5.699 1.00 35.14 H new ATOM 0 HB2 LYS A 59 -8.415 -9.187 -3.319 1.00 53.03 H new ATOM 0 HB3 LYS A 59 -9.066 -8.345 -4.711 1.00 53.03 H new ATOM 0 HG2 LYS A 59 -9.642 -10.451 -5.793 1.00 74.44 H new ATOM 0 HG3 LYS A 59 -8.832 -11.369 -4.539 1.00 74.44 H new ATOM 0 HD2 LYS A 59 -10.437 -10.543 -2.855 1.00 24.44 H new ATOM 0 HD3 LYS A 59 -11.215 -9.534 -4.058 1.00 24.44 H new ATOM 0 HE2 LYS A 59 -11.316 -11.972 -5.313 1.00 34.23 H new ATOM 0 HE3 LYS A 59 -11.400 -12.475 -3.636 1.00 34.23 H new ATOM 0 HZ1 LYS A 59 -13.596 -12.082 -4.544 1.00 13.40 H new ATOM 0 HZ2 LYS A 59 -13.273 -10.967 -3.305 1.00 13.40 H new ATOM 0 HZ3 LYS A 59 -13.192 -10.479 -4.930 1.00 13.40 H new ATOM 935 N LEU A 60 -6.560 -6.939 -5.308 1.00 11.53 N ATOM 936 CA LEU A 60 -6.344 -5.687 -6.025 1.00 2.32 C ATOM 937 C LEU A 60 -4.980 -5.679 -6.709 1.00 35.51 C ATOM 938 O LEU A 60 -4.835 -5.165 -7.818 1.00 65.11 O ATOM 939 CB LEU A 60 -6.452 -4.501 -5.065 1.00 4.24 C ATOM 940 CG LEU A 60 -7.863 -4.139 -4.600 1.00 61.32 C ATOM 941 CD1 LEU A 60 -8.295 -5.041 -3.454 1.00 1.51 C ATOM 942 CD2 LEU A 60 -7.930 -2.677 -4.186 1.00 3.35 C ATOM 0 H LEU A 60 -6.364 -6.892 -4.308 1.00 11.53 H new ATOM 0 HA LEU A 60 -7.115 -5.598 -6.791 1.00 2.32 H new ATOM 0 HB2 LEU A 60 -5.845 -4.715 -4.185 1.00 4.24 H new ATOM 0 HB3 LEU A 60 -6.015 -3.627 -5.549 1.00 4.24 H new ATOM 0 HG LEU A 60 -8.550 -4.291 -5.433 1.00 61.32 H new ATOM 0 HD11 LEU A 60 -9.301 -4.769 -3.136 1.00 1.51 H new ATOM 0 HD12 LEU A 60 -8.288 -6.079 -3.786 1.00 1.51 H new ATOM 0 HD13 LEU A 60 -7.606 -4.922 -2.618 1.00 1.51 H new ATOM 0 HD21 LEU A 60 -8.942 -2.438 -3.858 1.00 3.35 H new ATOM 0 HD22 LEU A 60 -7.232 -2.498 -3.368 1.00 3.35 H new ATOM 0 HD23 LEU A 60 -7.665 -2.046 -5.034 1.00 3.35 H new ATOM 954 N ILE A 61 -3.986 -6.255 -6.041 1.00 53.21 N ATOM 955 CA ILE A 61 -2.636 -6.317 -6.586 1.00 61.33 C ATOM 956 C ILE A 61 -2.240 -7.754 -6.911 1.00 1.35 C ATOM 957 O ILE A 61 -1.505 -8.404 -6.167 1.00 71.20 O ATOM 958 CB ILE A 61 -1.606 -5.721 -5.609 1.00 0.21 C ATOM 959 CG1 ILE A 61 -2.235 -4.583 -4.802 1.00 52.15 C ATOM 960 CG2 ILE A 61 -0.382 -5.227 -6.366 1.00 21.25 C ATOM 961 CD1 ILE A 61 -2.782 -3.464 -5.661 1.00 71.22 C ATOM 0 H ILE A 61 -4.090 -6.685 -5.122 1.00 53.21 H new ATOM 0 HA ILE A 61 -2.638 -5.727 -7.502 1.00 61.33 H new ATOM 0 HB ILE A 61 -1.290 -6.501 -4.916 1.00 0.21 H new ATOM 0 HG12 ILE A 61 -3.040 -4.986 -4.188 1.00 52.15 H new ATOM 0 HG13 ILE A 61 -1.488 -4.175 -4.121 1.00 52.15 H new ATOM 0 HG21 ILE A 61 0.337 -4.808 -5.662 1.00 21.25 H new ATOM 0 HG22 ILE A 61 0.076 -6.059 -6.900 1.00 21.25 H new ATOM 0 HG23 ILE A 61 -0.681 -4.459 -7.079 1.00 21.25 H new ATOM 0 HD11 ILE A 61 -3.212 -2.692 -5.023 1.00 71.22 H new ATOM 0 HD12 ILE A 61 -1.976 -3.035 -6.256 1.00 71.22 H new ATOM 0 HD13 ILE A 61 -3.552 -3.858 -6.324 1.00 71.22 H new ATOM 973 N PRO A 62 -2.736 -8.262 -8.048 1.00 41.24 N ATOM 974 CA PRO A 62 -2.445 -9.626 -8.499 1.00 34.20 C ATOM 975 C PRO A 62 -0.996 -9.794 -8.941 1.00 23.42 C ATOM 976 O PRO A 62 -0.630 -9.426 -10.056 1.00 4.20 O ATOM 977 CB PRO A 62 -3.392 -9.817 -9.687 1.00 1.42 C ATOM 978 CG PRO A 62 -3.649 -8.439 -10.191 1.00 11.51 C ATOM 979 CD PRO A 62 -3.618 -7.543 -8.983 1.00 72.32 C ATOM 0 HA PRO A 62 -2.585 -10.357 -7.703 1.00 34.20 H new ATOM 0 HB2 PRO A 62 -2.940 -10.442 -10.457 1.00 1.42 H new ATOM 0 HB3 PRO A 62 -4.317 -10.306 -9.381 1.00 1.42 H new ATOM 0 HG2 PRO A 62 -2.892 -8.142 -10.917 1.00 11.51 H new ATOM 0 HG3 PRO A 62 -4.614 -8.381 -10.695 1.00 11.51 H new ATOM 0 HD2 PRO A 62 -3.227 -6.555 -9.225 1.00 72.32 H new ATOM 0 HD3 PRO A 62 -4.614 -7.398 -8.565 1.00 72.32 H new ATOM 987 N GLY A 63 -0.174 -10.354 -8.058 1.00 62.42 N ATOM 988 CA GLY A 63 1.227 -10.562 -8.376 1.00 52.25 C ATOM 989 C GLY A 63 2.120 -9.489 -7.786 1.00 65.21 C ATOM 990 O GLY A 63 2.834 -8.797 -8.512 1.00 34.20 O ATOM 0 H GLY A 63 -0.453 -10.667 -7.128 1.00 62.42 H new ATOM 0 HA2 GLY A 63 1.540 -11.537 -8.003 1.00 52.25 H new ATOM 0 HA3 GLY A 63 1.352 -10.580 -9.459 1.00 52.25 H new ATOM 994 N ALA A 64 2.081 -9.349 -6.465 1.00 61.50 N ATOM 995 CA ALA A 64 2.894 -8.354 -5.778 1.00 11.25 C ATOM 996 C ALA A 64 3.376 -8.875 -4.428 1.00 35.21 C ATOM 997 O ALA A 64 2.858 -9.867 -3.914 1.00 30.33 O ATOM 998 CB ALA A 64 2.108 -7.064 -5.597 1.00 54.22 C ATOM 0 H ALA A 64 1.495 -9.913 -5.849 1.00 61.50 H new ATOM 0 HA ALA A 64 3.770 -8.150 -6.393 1.00 11.25 H new ATOM 0 HB1 ALA A 64 2.728 -6.330 -5.082 1.00 54.22 H new ATOM 0 HB2 ALA A 64 1.818 -6.674 -6.573 1.00 54.22 H new ATOM 0 HB3 ALA A 64 1.214 -7.263 -5.006 1.00 54.22 H new ATOM 1004 N HIS A 65 4.370 -8.201 -3.859 1.00 13.13 N ATOM 1005 CA HIS A 65 4.921 -8.597 -2.568 1.00 2.23 C ATOM 1006 C HIS A 65 4.261 -7.819 -1.433 1.00 71.22 C ATOM 1007 O HIS A 65 4.452 -6.610 -1.303 1.00 14.14 O ATOM 1008 CB HIS A 65 6.433 -8.370 -2.544 1.00 62.43 C ATOM 1009 CG HIS A 65 7.143 -9.172 -1.497 1.00 33.20 C ATOM 1010 ND1 HIS A 65 7.897 -8.601 -0.494 1.00 13.41 N ATOM 1011 CD2 HIS A 65 7.208 -10.510 -1.299 1.00 45.34 C ATOM 1012 CE1 HIS A 65 8.397 -9.552 0.274 1.00 10.23 C ATOM 1013 NE2 HIS A 65 7.994 -10.720 -0.193 1.00 11.32 N ATOM 0 H HIS A 65 4.810 -7.378 -4.271 1.00 13.13 H new ATOM 0 HA HIS A 65 4.717 -9.658 -2.424 1.00 2.23 H new ATOM 0 HB2 HIS A 65 6.845 -8.619 -3.522 1.00 62.43 H new ATOM 0 HB3 HIS A 65 6.630 -7.311 -2.375 1.00 62.43 H new ATOM 0 HD2 HIS A 65 6.731 -11.270 -1.899 1.00 45.34 H new ATOM 0 HE1 HIS A 65 9.028 -9.400 1.137 1.00 10.23 H new ATOM 0 HE2 HIS A 65 8.229 -11.630 0.204 1.00 11.32 H new ATOM 1021 N PHE A 66 3.483 -8.521 -0.616 1.00 21.04 N ATOM 1022 CA PHE A 66 2.793 -7.896 0.507 1.00 71.23 C ATOM 1023 C PHE A 66 3.383 -8.361 1.835 1.00 74.20 C ATOM 1024 O PHE A 66 4.015 -9.414 1.910 1.00 42.02 O ATOM 1025 CB PHE A 66 1.298 -8.220 0.458 1.00 23.21 C ATOM 1026 CG PHE A 66 0.473 -7.149 -0.195 1.00 45.45 C ATOM 1027 CD1 PHE A 66 0.418 -7.043 -1.576 1.00 24.41 C ATOM 1028 CD2 PHE A 66 -0.246 -6.246 0.571 1.00 53.13 C ATOM 1029 CE1 PHE A 66 -0.340 -6.059 -2.181 1.00 0.44 C ATOM 1030 CE2 PHE A 66 -1.007 -5.259 -0.028 1.00 63.43 C ATOM 1031 CZ PHE A 66 -1.053 -5.165 -1.406 1.00 4.25 C ATOM 0 H PHE A 66 3.314 -9.523 -0.710 1.00 21.04 H new ATOM 0 HA PHE A 66 2.927 -6.817 0.429 1.00 71.23 H new ATOM 0 HB2 PHE A 66 1.155 -9.157 -0.081 1.00 23.21 H new ATOM 0 HB3 PHE A 66 0.935 -8.378 1.474 1.00 23.21 H new ATOM 0 HD1 PHE A 66 0.975 -7.738 -2.187 1.00 24.41 H new ATOM 0 HD2 PHE A 66 -0.212 -6.314 1.648 1.00 53.13 H new ATOM 0 HE1 PHE A 66 -0.375 -5.989 -3.258 1.00 0.44 H new ATOM 0 HE2 PHE A 66 -1.565 -4.562 0.580 1.00 63.43 H new ATOM 0 HZ PHE A 66 -1.645 -4.394 -1.876 1.00 4.25 H new ATOM 1041 N GLU A 67 3.170 -7.567 2.880 1.00 25.51 N ATOM 1042 CA GLU A 67 3.682 -7.897 4.205 1.00 24.11 C ATOM 1043 C GLU A 67 2.776 -7.331 5.295 1.00 60.53 C ATOM 1044 O GLU A 67 2.689 -6.117 5.478 1.00 23.11 O ATOM 1045 CB GLU A 67 5.103 -7.356 4.376 1.00 3.25 C ATOM 1046 CG GLU A 67 6.174 -8.433 4.333 1.00 2.23 C ATOM 1047 CD GLU A 67 7.519 -7.938 4.829 1.00 62.30 C ATOM 1048 OE1 GLU A 67 7.550 -7.234 5.860 1.00 40.05 O ATOM 1049 OE2 GLU A 67 8.541 -8.256 4.186 1.00 64.54 O ATOM 0 H GLU A 67 2.647 -6.692 2.835 1.00 25.51 H new ATOM 0 HA GLU A 67 3.700 -8.983 4.299 1.00 24.11 H new ATOM 0 HB2 GLU A 67 5.302 -6.626 3.591 1.00 3.25 H new ATOM 0 HB3 GLU A 67 5.169 -6.827 5.327 1.00 3.25 H new ATOM 0 HG2 GLU A 67 5.856 -9.281 4.940 1.00 2.23 H new ATOM 0 HG3 GLU A 67 6.279 -8.795 3.310 1.00 2.23 H new ATOM 1056 N LYS A 68 2.101 -8.221 6.016 1.00 44.25 N ATOM 1057 CA LYS A 68 1.202 -7.813 7.088 1.00 54.11 C ATOM 1058 C LYS A 68 1.851 -8.022 8.452 1.00 2.41 C ATOM 1059 O LYS A 68 1.169 -8.052 9.477 1.00 42.44 O ATOM 1060 CB LYS A 68 -0.108 -8.600 7.009 1.00 35.02 C ATOM 1061 CG LYS A 68 -1.246 -7.968 7.793 1.00 42.12 C ATOM 1062 CD LYS A 68 -2.253 -9.009 8.252 1.00 23.11 C ATOM 1063 CE LYS A 68 -1.897 -9.562 9.624 1.00 44.05 C ATOM 1064 NZ LYS A 68 -2.835 -9.082 10.676 1.00 63.13 N ATOM 0 H LYS A 68 2.160 -9.230 5.877 1.00 44.25 H new ATOM 0 HA LYS A 68 0.989 -6.751 6.966 1.00 54.11 H new ATOM 0 HB2 LYS A 68 -0.405 -8.691 5.964 1.00 35.02 H new ATOM 0 HB3 LYS A 68 0.062 -9.610 7.382 1.00 35.02 H new ATOM 0 HG2 LYS A 68 -0.844 -7.442 8.659 1.00 42.12 H new ATOM 0 HG3 LYS A 68 -1.747 -7.224 7.173 1.00 42.12 H new ATOM 0 HD2 LYS A 68 -3.248 -8.565 8.284 1.00 23.11 H new ATOM 0 HD3 LYS A 68 -2.291 -9.824 7.529 1.00 23.11 H new ATOM 0 HE2 LYS A 68 -1.914 -10.651 9.592 1.00 44.05 H new ATOM 0 HE3 LYS A 68 -0.880 -9.266 9.882 1.00 44.05 H new ATOM 0 HZ1 LYS A 68 -2.559 -9.481 11.596 1.00 63.13 H new ATOM 0 HZ2 LYS A 68 -2.800 -8.044 10.724 1.00 63.13 H new ATOM 0 HZ3 LYS A 68 -3.802 -9.386 10.444 1.00 63.13 H new ATOM 1078 N ARG A 69 3.173 -8.164 8.458 1.00 55.23 N ATOM 1079 CA ARG A 69 3.914 -8.369 9.696 1.00 34.14 C ATOM 1080 C ARG A 69 3.978 -7.081 10.511 1.00 4.50 C ATOM 1081 O ARG A 69 4.490 -7.067 11.631 1.00 64.44 O ATOM 1082 CB ARG A 69 5.329 -8.865 9.393 1.00 54.01 C ATOM 1083 CG ARG A 69 5.795 -9.978 10.317 1.00 42.11 C ATOM 1084 CD ARG A 69 7.163 -10.504 9.909 1.00 14.23 C ATOM 1085 NE ARG A 69 7.085 -11.394 8.754 1.00 54.42 N ATOM 1086 CZ ARG A 69 8.085 -12.172 8.357 1.00 43.24 C ATOM 1087 NH1 ARG A 69 9.234 -12.170 9.019 1.00 71.01 N ATOM 1088 NH2 ARG A 69 7.938 -12.954 7.295 1.00 32.32 N ATOM 0 H ARG A 69 3.752 -8.141 7.619 1.00 55.23 H new ATOM 0 HA ARG A 69 3.390 -9.124 10.282 1.00 34.14 H new ATOM 0 HB2 ARG A 69 5.368 -9.219 8.363 1.00 54.01 H new ATOM 0 HB3 ARG A 69 6.022 -8.027 9.468 1.00 54.01 H new ATOM 0 HG2 ARG A 69 5.837 -9.608 11.342 1.00 42.11 H new ATOM 0 HG3 ARG A 69 5.071 -10.793 10.301 1.00 42.11 H new ATOM 0 HD2 ARG A 69 7.819 -9.665 9.677 1.00 14.23 H new ATOM 0 HD3 ARG A 69 7.611 -11.037 10.748 1.00 14.23 H new ATOM 0 HE ARG A 69 6.214 -11.419 8.223 1.00 54.42 H new ATOM 0 HH11 ARG A 69 9.351 -11.570 9.835 1.00 71.01 H new ATOM 0 HH12 ARG A 69 10.001 -12.769 8.712 1.00 71.01 H new ATOM 0 HH21 ARG A 69 7.056 -12.958 6.783 1.00 32.32 H new ATOM 0 HH22 ARG A 69 8.707 -13.551 6.991 1.00 32.32 H new ATOM 1102 N ARG A 70 3.457 -5.999 9.941 1.00 33.30 N ATOM 1103 CA ARG A 70 3.457 -4.706 10.613 1.00 1.43 C ATOM 1104 C ARG A 70 4.877 -4.163 10.748 1.00 60.31 C ATOM 1105 O ARG A 70 5.275 -3.696 11.814 1.00 45.11 O ATOM 1106 CB ARG A 70 2.812 -4.825 11.995 1.00 1.13 C ATOM 1107 CG ARG A 70 1.551 -5.673 12.008 1.00 71.14 C ATOM 1108 CD ARG A 70 1.010 -5.847 13.418 1.00 2.13 C ATOM 1109 NE ARG A 70 1.770 -6.836 14.178 1.00 60.34 N ATOM 1110 CZ ARG A 70 1.677 -6.982 15.495 1.00 41.53 C ATOM 1111 NH1 ARG A 70 0.861 -6.206 16.195 1.00 51.34 N ATOM 1112 NH2 ARG A 70 2.401 -7.905 16.114 1.00 2.24 N ATOM 0 H ARG A 70 3.029 -5.993 9.015 1.00 33.30 H new ATOM 0 HA ARG A 70 2.876 -4.010 10.007 1.00 1.43 H new ATOM 0 HB2 ARG A 70 3.535 -5.254 12.688 1.00 1.13 H new ATOM 0 HB3 ARG A 70 2.572 -3.827 12.362 1.00 1.13 H new ATOM 0 HG2 ARG A 70 0.791 -5.206 11.381 1.00 71.14 H new ATOM 0 HG3 ARG A 70 1.765 -6.651 11.576 1.00 71.14 H new ATOM 0 HD2 ARG A 70 1.039 -4.890 13.938 1.00 2.13 H new ATOM 0 HD3 ARG A 70 -0.035 -6.152 13.370 1.00 2.13 H new ATOM 0 HE ARG A 70 2.407 -7.449 13.669 1.00 60.34 H new ATOM 0 HH11 ARG A 70 0.303 -5.495 15.722 1.00 51.34 H new ATOM 0 HH12 ARG A 70 0.791 -6.320 17.206 1.00 51.34 H new ATOM 0 HH21 ARG A 70 3.030 -8.504 15.579 1.00 2.24 H new ATOM 0 HH22 ARG A 70 2.329 -8.016 17.125 1.00 2.24 H new ATOM 1126 N GLY A 71 5.636 -4.230 9.658 1.00 5.15 N ATOM 1127 CA GLY A 71 7.003 -3.743 9.676 1.00 25.12 C ATOM 1128 C GLY A 71 7.080 -2.230 9.646 1.00 43.53 C ATOM 1129 O GLY A 71 8.166 -1.653 9.717 1.00 23.22 O ATOM 0 H GLY A 71 5.329 -4.613 8.764 1.00 5.15 H new ATOM 0 HA2 GLY A 71 7.505 -4.112 10.571 1.00 25.12 H new ATOM 0 HA3 GLY A 71 7.541 -4.148 8.819 1.00 25.12 H new ATOM 1133 N THR A 72 5.924 -1.582 9.538 1.00 43.34 N ATOM 1134 CA THR A 72 5.865 -0.126 9.495 1.00 70.24 C ATOM 1135 C THR A 72 4.571 0.390 10.113 1.00 33.20 C ATOM 1136 O THR A 72 4.090 1.466 9.760 1.00 3.41 O ATOM 1137 CB THR A 72 5.975 0.398 8.050 1.00 3.25 C ATOM 1138 OG1 THR A 72 6.151 1.819 8.057 1.00 0.34 O ATOM 1139 CG2 THR A 72 4.734 0.040 7.248 1.00 35.42 C ATOM 0 H THR A 72 5.016 -2.043 9.479 1.00 43.34 H new ATOM 0 HA THR A 72 6.713 0.242 10.073 1.00 70.24 H new ATOM 0 HB THR A 72 6.839 -0.073 7.581 1.00 3.25 H new ATOM 0 HG1 THR A 72 6.503 2.109 7.190 1.00 0.34 H new ATOM 0 HG21 THR A 72 4.835 0.421 6.232 1.00 35.42 H new ATOM 0 HG22 THR A 72 4.619 -1.044 7.220 1.00 35.42 H new ATOM 0 HG23 THR A 72 3.857 0.486 7.717 1.00 35.42 H new ATOM 1147 N GLN A 73 4.012 -0.385 11.037 1.00 0.23 N ATOM 1148 CA GLN A 73 2.773 -0.005 11.705 1.00 54.54 C ATOM 1149 C GLN A 73 2.917 1.350 12.391 1.00 22.31 C ATOM 1150 O GLN A 73 3.461 1.445 13.491 1.00 74.43 O ATOM 1151 CB GLN A 73 2.373 -1.068 12.728 1.00 35.43 C ATOM 1152 CG GLN A 73 3.517 -1.508 13.627 1.00 34.24 C ATOM 1153 CD GLN A 73 3.076 -1.746 15.058 1.00 21.23 C ATOM 1154 OE1 GLN A 73 1.910 -2.045 15.320 1.00 44.33 O ATOM 1155 NE2 GLN A 73 4.008 -1.615 15.995 1.00 65.13 N ATOM 0 H GLN A 73 4.397 -1.279 11.340 1.00 0.23 H new ATOM 0 HA GLN A 73 1.992 0.073 10.949 1.00 54.54 H new ATOM 0 HB2 GLN A 73 1.565 -0.679 13.347 1.00 35.43 H new ATOM 0 HB3 GLN A 73 1.981 -1.938 12.201 1.00 35.43 H new ATOM 0 HG2 GLN A 73 3.956 -2.423 13.229 1.00 34.24 H new ATOM 0 HG3 GLN A 73 4.298 -0.748 13.613 1.00 34.24 H new ATOM 0 HE21 GLN A 73 4.962 -1.366 15.734 1.00 65.13 H new ATOM 0 HE22 GLN A 73 3.770 -1.763 16.976 1.00 65.13 H new ATOM 1164 N GLY A 74 2.427 2.396 11.734 1.00 41.53 N ATOM 1165 CA GLY A 74 2.512 3.732 12.296 1.00 63.41 C ATOM 1166 C GLY A 74 3.756 4.472 11.846 1.00 24.24 C ATOM 1167 O GLY A 74 3.801 5.701 11.881 1.00 72.14 O ATOM 0 H GLY A 74 1.972 2.343 10.822 1.00 41.53 H new ATOM 0 HA2 GLY A 74 1.629 4.302 12.006 1.00 63.41 H new ATOM 0 HA3 GLY A 74 2.506 3.666 13.384 1.00 63.41 H new ATOM 1171 N GLU A 75 4.770 3.721 11.425 1.00 12.54 N ATOM 1172 CA GLU A 75 6.021 4.315 10.970 1.00 43.32 C ATOM 1173 C GLU A 75 5.883 4.852 9.548 1.00 61.31 C ATOM 1174 O GLU A 75 6.575 5.792 9.158 1.00 70.42 O ATOM 1175 CB GLU A 75 7.152 3.286 11.031 1.00 72.04 C ATOM 1176 CG GLU A 75 7.952 3.336 12.322 1.00 74.04 C ATOM 1177 CD GLU A 75 9.369 2.826 12.150 1.00 43.13 C ATOM 1178 OE1 GLU A 75 10.200 3.563 11.579 1.00 63.22 O ATOM 1179 OE2 GLU A 75 9.647 1.690 12.587 1.00 65.32 O ATOM 0 H GLU A 75 4.749 2.702 11.390 1.00 12.54 H new ATOM 0 HA GLU A 75 6.260 5.147 11.632 1.00 43.32 H new ATOM 0 HB2 GLU A 75 6.730 2.288 10.913 1.00 72.04 H new ATOM 0 HB3 GLU A 75 7.826 3.449 10.190 1.00 72.04 H new ATOM 0 HG2 GLU A 75 7.981 4.362 12.687 1.00 74.04 H new ATOM 0 HG3 GLU A 75 7.446 2.741 13.082 1.00 74.04 H new ATOM 1186 N ALA A 76 4.985 4.246 8.778 1.00 15.42 N ATOM 1187 CA ALA A 76 4.754 4.663 7.401 1.00 51.14 C ATOM 1188 C ALA A 76 4.040 6.009 7.347 1.00 51.55 C ATOM 1189 O ALA A 76 3.902 6.607 6.279 1.00 3.32 O ATOM 1190 CB ALA A 76 3.950 3.607 6.657 1.00 32.22 C ATOM 0 H ALA A 76 4.406 3.465 9.085 1.00 15.42 H new ATOM 0 HA ALA A 76 5.723 4.776 6.915 1.00 51.14 H new ATOM 0 HB1 ALA A 76 3.785 3.932 5.630 1.00 32.22 H new ATOM 0 HB2 ALA A 76 4.499 2.665 6.656 1.00 32.22 H new ATOM 0 HB3 ALA A 76 2.989 3.466 7.152 1.00 32.22 H new ATOM 1196 N ARG A 77 3.587 6.481 8.504 1.00 71.43 N ATOM 1197 CA ARG A 77 2.885 7.756 8.587 1.00 20.32 C ATOM 1198 C ARG A 77 3.863 8.922 8.483 1.00 10.42 C ATOM 1199 O ARG A 77 3.466 10.056 8.216 1.00 12.10 O ATOM 1200 CB ARG A 77 2.103 7.847 9.899 1.00 24.01 C ATOM 1201 CG ARG A 77 0.614 8.080 9.706 1.00 71.14 C ATOM 1202 CD ARG A 77 -0.201 6.877 10.154 1.00 61.45 C ATOM 1203 NE ARG A 77 -1.629 7.176 10.218 1.00 61.21 N ATOM 1204 CZ ARG A 77 -2.204 7.799 11.240 1.00 2.42 C ATOM 1205 NH1 ARG A 77 -1.476 8.188 12.278 1.00 20.01 N ATOM 1206 NH2 ARG A 77 -3.509 8.036 11.225 1.00 34.25 N ATOM 0 H ARG A 77 3.694 5.999 9.397 1.00 71.43 H new ATOM 0 HA ARG A 77 2.187 7.814 7.752 1.00 20.32 H new ATOM 0 HB2 ARG A 77 2.248 6.926 10.463 1.00 24.01 H new ATOM 0 HB3 ARG A 77 2.514 8.657 10.501 1.00 24.01 H new ATOM 0 HG2 ARG A 77 0.306 8.960 10.271 1.00 71.14 H new ATOM 0 HG3 ARG A 77 0.410 8.288 8.656 1.00 71.14 H new ATOM 0 HD2 ARG A 77 -0.035 6.049 9.464 1.00 61.45 H new ATOM 0 HD3 ARG A 77 0.145 6.550 11.134 1.00 61.45 H new ATOM 0 HE ARG A 77 -2.217 6.891 9.435 1.00 61.21 H new ATOM 0 HH11 ARG A 77 -0.472 8.009 12.293 1.00 20.01 H new ATOM 0 HH12 ARG A 77 -1.920 8.666 13.062 1.00 20.01 H new ATOM 0 HH21 ARG A 77 -4.072 7.740 10.428 1.00 34.25 H new ATOM 0 HH22 ARG A 77 -3.949 8.515 12.011 1.00 34.25 H new ATOM 1220 N ALA A 78 5.143 8.636 8.697 1.00 70.34 N ATOM 1221 CA ALA A 78 6.177 9.660 8.625 1.00 5.14 C ATOM 1222 C ALA A 78 7.198 9.336 7.539 1.00 35.43 C ATOM 1223 O ALA A 78 7.412 10.126 6.620 1.00 63.22 O ATOM 1224 CB ALA A 78 6.868 9.808 9.973 1.00 33.23 C ATOM 0 H ALA A 78 5.488 7.703 8.922 1.00 70.34 H new ATOM 0 HA ALA A 78 5.699 10.605 8.367 1.00 5.14 H new ATOM 0 HB1 ALA A 78 7.638 10.576 9.905 1.00 33.23 H new ATOM 0 HB2 ALA A 78 6.136 10.094 10.728 1.00 33.23 H new ATOM 0 HB3 ALA A 78 7.326 8.859 10.253 1.00 33.23 H new ATOM 1230 N TYR A 79 7.824 8.170 7.652 1.00 72.30 N ATOM 1231 CA TYR A 79 8.824 7.742 6.681 1.00 41.50 C ATOM 1232 C TYR A 79 8.170 7.366 5.355 1.00 63.10 C ATOM 1233 O TYR A 79 8.605 7.803 4.289 1.00 14.35 O ATOM 1234 CB TYR A 79 9.619 6.555 7.226 1.00 64.24 C ATOM 1235 CG TYR A 79 10.674 6.043 6.270 1.00 11.05 C ATOM 1236 CD1 TYR A 79 11.421 6.921 5.494 1.00 31.14 C ATOM 1237 CD2 TYR A 79 10.923 4.682 6.143 1.00 13.12 C ATOM 1238 CE1 TYR A 79 12.385 6.458 4.620 1.00 71.02 C ATOM 1239 CE2 TYR A 79 11.886 4.210 5.272 1.00 13.44 C ATOM 1240 CZ TYR A 79 12.614 5.102 4.513 1.00 51.03 C ATOM 1241 OH TYR A 79 13.573 4.636 3.643 1.00 21.00 O ATOM 0 H TYR A 79 7.657 7.504 8.406 1.00 72.30 H new ATOM 0 HA TYR A 79 9.504 8.576 6.506 1.00 41.50 H new ATOM 0 HB2 TYR A 79 10.098 6.848 8.160 1.00 64.24 H new ATOM 0 HB3 TYR A 79 8.930 5.744 7.462 1.00 64.24 H new ATOM 0 HD1 TYR A 79 11.245 7.983 5.576 1.00 31.14 H new ATOM 0 HD2 TYR A 79 10.354 3.981 6.735 1.00 13.12 H new ATOM 0 HE1 TYR A 79 12.956 7.154 4.024 1.00 71.02 H new ATOM 0 HE2 TYR A 79 12.068 3.149 5.186 1.00 13.44 H new ATOM 0 HH TYR A 79 13.609 3.658 3.689 1.00 21.00 H new ATOM 1251 N SER A 80 7.122 6.552 5.430 1.00 64.44 N ATOM 1252 CA SER A 80 6.409 6.113 4.236 1.00 20.50 C ATOM 1253 C SER A 80 7.330 5.320 3.313 1.00 1.32 C ATOM 1254 O SER A 80 7.421 4.097 3.410 1.00 34.20 O ATOM 1255 CB SER A 80 5.833 7.317 3.489 1.00 74.32 C ATOM 1256 OG SER A 80 4.755 7.894 4.206 1.00 60.33 O ATOM 0 H SER A 80 6.748 6.183 6.304 1.00 64.44 H new ATOM 0 HA SER A 80 5.592 5.464 4.549 1.00 20.50 H new ATOM 0 HB2 SER A 80 6.614 8.063 3.338 1.00 74.32 H new ATOM 0 HB3 SER A 80 5.492 7.007 2.501 1.00 74.32 H new ATOM 0 HG SER A 80 4.584 7.370 5.017 1.00 60.33 H new ATOM 1262 N MET A 81 8.012 6.028 2.418 1.00 32.14 N ATOM 1263 CA MET A 81 8.927 5.392 1.478 1.00 23.33 C ATOM 1264 C MET A 81 10.324 5.996 1.586 1.00 32.20 C ATOM 1265 O MET A 81 10.567 6.881 2.407 1.00 62.32 O ATOM 1266 CB MET A 81 8.405 5.537 0.048 1.00 62.45 C ATOM 1267 CG MET A 81 7.690 4.298 -0.467 1.00 15.14 C ATOM 1268 SD MET A 81 6.299 3.817 0.575 1.00 14.01 S ATOM 1269 CE MET A 81 5.183 5.193 0.307 1.00 24.24 C ATOM 0 H MET A 81 7.948 7.042 2.324 1.00 32.14 H new ATOM 0 HA MET A 81 8.988 4.333 1.729 1.00 23.33 H new ATOM 0 HB2 MET A 81 7.722 6.385 0.004 1.00 62.45 H new ATOM 0 HB3 MET A 81 9.241 5.766 -0.614 1.00 62.45 H new ATOM 0 HG2 MET A 81 7.333 4.484 -1.480 1.00 15.14 H new ATOM 0 HG3 MET A 81 8.399 3.472 -0.525 1.00 15.14 H new ATOM 0 HE1 MET A 81 4.405 5.185 1.071 1.00 24.24 H new ATOM 0 HE2 MET A 81 5.739 6.129 0.365 1.00 24.24 H new ATOM 0 HE3 MET A 81 4.725 5.104 -0.678 1.00 24.24 H new ATOM 1279 N LYS A 82 11.239 5.512 0.753 1.00 53.24 N ATOM 1280 CA LYS A 82 12.611 6.005 0.753 1.00 61.41 C ATOM 1281 C LYS A 82 12.762 7.196 -0.187 1.00 51.32 C ATOM 1282 O LYS A 82 12.441 7.108 -1.372 1.00 32.33 O ATOM 1283 CB LYS A 82 13.575 4.890 0.339 1.00 33.01 C ATOM 1284 CG LYS A 82 13.265 3.549 0.981 1.00 72.32 C ATOM 1285 CD LYS A 82 12.669 2.575 -0.022 1.00 64.12 C ATOM 1286 CE LYS A 82 11.902 1.460 0.671 1.00 31.15 C ATOM 1287 NZ LYS A 82 11.798 0.244 -0.182 1.00 22.23 N ATOM 0 H LYS A 82 11.055 4.778 0.069 1.00 53.24 H new ATOM 0 HA LYS A 82 12.853 6.330 1.765 1.00 61.41 H new ATOM 0 HB2 LYS A 82 13.546 4.780 -0.745 1.00 33.01 H new ATOM 0 HB3 LYS A 82 14.591 5.183 0.602 1.00 33.01 H new ATOM 0 HG2 LYS A 82 14.177 3.126 1.402 1.00 72.32 H new ATOM 0 HG3 LYS A 82 12.569 3.693 1.808 1.00 72.32 H new ATOM 0 HD2 LYS A 82 12.003 3.110 -0.698 1.00 64.12 H new ATOM 0 HD3 LYS A 82 13.465 2.146 -0.631 1.00 64.12 H new ATOM 0 HE2 LYS A 82 12.399 1.205 1.607 1.00 31.15 H new ATOM 0 HE3 LYS A 82 10.902 1.811 0.926 1.00 31.15 H new ATOM 0 HZ1 LYS A 82 11.552 -0.575 0.410 1.00 22.23 H new ATOM 0 HZ2 LYS A 82 11.060 0.386 -0.901 1.00 22.23 H new ATOM 0 HZ3 LYS A 82 12.710 0.070 -0.651 1.00 22.23 H new ATOM 1301 N GLU A 83 13.253 8.309 0.349 1.00 3.01 N ATOM 1302 CA GLU A 83 13.447 9.517 -0.444 1.00 12.54 C ATOM 1303 C GLU A 83 14.486 9.290 -1.538 1.00 33.30 C ATOM 1304 O GLU A 83 14.386 9.850 -2.630 1.00 33.32 O ATOM 1305 CB GLU A 83 13.881 10.679 0.453 1.00 21.54 C ATOM 1306 CG GLU A 83 12.823 11.759 0.606 1.00 65.25 C ATOM 1307 CD GLU A 83 13.379 13.041 1.195 1.00 64.34 C ATOM 1308 OE1 GLU A 83 13.924 13.860 0.426 1.00 51.30 O ATOM 1309 OE2 GLU A 83 13.269 13.224 2.425 1.00 23.11 O ATOM 0 H GLU A 83 13.523 8.399 1.328 1.00 3.01 H new ATOM 0 HA GLU A 83 12.497 9.766 -0.916 1.00 12.54 H new ATOM 0 HB2 GLU A 83 14.136 10.290 1.439 1.00 21.54 H new ATOM 0 HB3 GLU A 83 14.787 11.125 0.042 1.00 21.54 H new ATOM 0 HG2 GLU A 83 12.383 11.972 -0.368 1.00 65.25 H new ATOM 0 HG3 GLU A 83 12.021 11.389 1.244 1.00 65.25 H new ATOM 1316 N ASP A 84 15.482 8.465 -1.237 1.00 23.33 N ATOM 1317 CA ASP A 84 16.540 8.162 -2.194 1.00 30.31 C ATOM 1318 C ASP A 84 15.959 7.584 -3.481 1.00 22.33 C ATOM 1319 O ASP A 84 16.453 7.856 -4.575 1.00 51.25 O ATOM 1320 CB ASP A 84 17.542 7.179 -1.585 1.00 53.24 C ATOM 1321 CG ASP A 84 18.930 7.774 -1.456 1.00 22.22 C ATOM 1322 OD1 ASP A 84 19.059 8.847 -0.831 1.00 45.33 O ATOM 1323 OD2 ASP A 84 19.888 7.166 -1.980 1.00 14.25 O ATOM 0 H ASP A 84 15.579 7.994 -0.338 1.00 23.33 H new ATOM 0 HA ASP A 84 17.056 9.092 -2.435 1.00 30.31 H new ATOM 0 HB2 ASP A 84 17.190 6.868 -0.601 1.00 53.24 H new ATOM 0 HB3 ASP A 84 17.590 6.283 -2.204 1.00 53.24 H new ATOM 1328 N THR A 85 14.907 6.782 -3.342 1.00 4.43 N ATOM 1329 CA THR A 85 14.261 6.164 -4.492 1.00 35.11 C ATOM 1330 C THR A 85 12.877 6.757 -4.729 1.00 54.23 C ATOM 1331 O THR A 85 12.111 6.260 -5.556 1.00 3.22 O ATOM 1332 CB THR A 85 14.129 4.640 -4.310 1.00 60.13 C ATOM 1333 OG1 THR A 85 13.762 4.337 -2.960 1.00 3.44 O ATOM 1334 CG2 THR A 85 15.434 3.939 -4.656 1.00 3.12 C ATOM 0 H THR A 85 14.485 6.546 -2.444 1.00 4.43 H new ATOM 0 HA THR A 85 14.893 6.366 -5.356 1.00 35.11 H new ATOM 0 HB THR A 85 13.352 4.282 -4.986 1.00 60.13 H new ATOM 0 HG1 THR A 85 13.095 3.619 -2.956 1.00 3.44 H new ATOM 0 HG21 THR A 85 15.317 2.864 -4.520 1.00 3.12 H new ATOM 0 HG22 THR A 85 15.695 4.147 -5.694 1.00 3.12 H new ATOM 0 HG23 THR A 85 16.227 4.303 -4.003 1.00 3.12 H new ATOM 1342 N ARG A 86 12.562 7.823 -4.000 1.00 73.22 N ATOM 1343 CA ARG A 86 11.269 8.483 -4.132 1.00 13.52 C ATOM 1344 C ARG A 86 11.182 9.252 -5.447 1.00 61.23 C ATOM 1345 O ARG A 86 11.979 10.155 -5.705 1.00 22.11 O ATOM 1346 CB ARG A 86 11.037 9.435 -2.957 1.00 14.22 C ATOM 1347 CG ARG A 86 9.666 10.092 -2.967 1.00 10.22 C ATOM 1348 CD ARG A 86 9.235 10.503 -1.568 1.00 31.15 C ATOM 1349 NE ARG A 86 9.395 11.937 -1.344 1.00 44.22 N ATOM 1350 CZ ARG A 86 8.664 12.863 -1.956 1.00 23.54 C ATOM 1351 NH1 ARG A 86 7.727 12.505 -2.823 1.00 1.52 N ATOM 1352 NH2 ARG A 86 8.870 14.148 -1.700 1.00 12.24 N ATOM 0 H ARG A 86 13.184 8.248 -3.312 1.00 73.22 H new ATOM 0 HA ARG A 86 10.495 7.715 -4.128 1.00 13.52 H new ATOM 0 HB2 ARG A 86 11.160 8.884 -2.024 1.00 14.22 H new ATOM 0 HB3 ARG A 86 11.802 10.211 -2.972 1.00 14.22 H new ATOM 0 HG2 ARG A 86 9.686 10.968 -3.615 1.00 10.22 H new ATOM 0 HG3 ARG A 86 8.934 9.402 -3.387 1.00 10.22 H new ATOM 0 HD2 ARG A 86 8.192 10.227 -1.414 1.00 31.15 H new ATOM 0 HD3 ARG A 86 9.822 9.954 -0.832 1.00 31.15 H new ATOM 0 HE ARG A 86 10.107 12.245 -0.682 1.00 44.22 H new ATOM 0 HH11 ARG A 86 7.566 11.517 -3.021 1.00 1.52 H new ATOM 0 HH12 ARG A 86 7.167 13.217 -3.292 1.00 1.52 H new ATOM 0 HH21 ARG A 86 9.590 14.426 -1.033 1.00 12.24 H new ATOM 0 HH22 ARG A 86 8.309 14.858 -2.170 1.00 12.24 H new ATOM 1366 N LEU A 87 10.210 8.887 -6.276 1.00 44.14 N ATOM 1367 CA LEU A 87 10.019 9.541 -7.566 1.00 45.32 C ATOM 1368 C LEU A 87 8.814 10.475 -7.530 1.00 72.11 C ATOM 1369 O LEU A 87 8.946 11.682 -7.727 1.00 41.25 O ATOM 1370 CB LEU A 87 9.837 8.496 -8.668 1.00 52.32 C ATOM 1371 CG LEU A 87 10.740 8.647 -9.893 1.00 1.22 C ATOM 1372 CD1 LEU A 87 10.330 7.669 -10.983 1.00 13.24 C ATOM 1373 CD2 LEU A 87 10.699 10.077 -10.413 1.00 73.41 C ATOM 0 H LEU A 87 9.542 8.142 -6.078 1.00 44.14 H new ATOM 0 HA LEU A 87 10.908 10.134 -7.780 1.00 45.32 H new ATOM 0 HB2 LEU A 87 10.006 7.509 -8.237 1.00 52.32 H new ATOM 0 HB3 LEU A 87 8.799 8.525 -9.001 1.00 52.32 H new ATOM 0 HG LEU A 87 11.764 8.419 -9.596 1.00 1.22 H new ATOM 0 HD11 LEU A 87 10.984 7.791 -11.846 1.00 13.24 H new ATOM 0 HD12 LEU A 87 10.413 6.649 -10.607 1.00 13.24 H new ATOM 0 HD13 LEU A 87 9.299 7.864 -11.278 1.00 13.24 H new ATOM 0 HD21 LEU A 87 11.347 10.166 -11.285 1.00 73.41 H new ATOM 0 HD22 LEU A 87 9.677 10.333 -10.693 1.00 73.41 H new ATOM 0 HD23 LEU A 87 11.043 10.757 -9.634 1.00 73.41 H new ATOM 1385 N GLU A 88 7.639 9.907 -7.275 1.00 23.14 N ATOM 1386 CA GLU A 88 6.411 10.690 -7.211 1.00 33.31 C ATOM 1387 C GLU A 88 5.675 10.441 -5.898 1.00 14.05 C ATOM 1388 O GLU A 88 6.077 9.597 -5.098 1.00 0.21 O ATOM 1389 CB GLU A 88 5.500 10.347 -8.392 1.00 13.04 C ATOM 1390 CG GLU A 88 4.914 11.567 -9.082 1.00 75.01 C ATOM 1391 CD GLU A 88 4.491 11.282 -10.510 1.00 51.23 C ATOM 1392 OE1 GLU A 88 5.205 10.524 -11.199 1.00 72.44 O ATOM 1393 OE2 GLU A 88 3.447 11.817 -10.939 1.00 4.42 O ATOM 0 H GLU A 88 7.512 8.909 -7.110 1.00 23.14 H new ATOM 0 HA GLU A 88 6.680 11.745 -7.262 1.00 33.31 H new ATOM 0 HB2 GLU A 88 6.066 9.765 -9.120 1.00 13.04 H new ATOM 0 HB3 GLU A 88 4.686 9.713 -8.040 1.00 13.04 H new ATOM 0 HG2 GLU A 88 4.053 11.921 -8.516 1.00 75.01 H new ATOM 0 HG3 GLU A 88 5.650 12.371 -9.079 1.00 75.01 H new ATOM 1400 N GLY A 89 4.593 11.184 -5.682 1.00 72.43 N ATOM 1401 CA GLY A 89 3.818 11.030 -4.465 1.00 73.00 C ATOM 1402 C GLY A 89 4.272 11.970 -3.366 1.00 31.10 C ATOM 1403 O GLY A 89 5.066 12.884 -3.590 1.00 63.50 O ATOM 0 H GLY A 89 4.240 11.890 -6.328 1.00 72.43 H new ATOM 0 HA2 GLY A 89 2.766 11.212 -4.683 1.00 73.00 H new ATOM 0 HA3 GLY A 89 3.898 10.001 -4.115 1.00 73.00 H new ATOM 1407 N PRO A 90 3.761 11.751 -2.146 1.00 35.44 N ATOM 1408 CA PRO A 90 2.814 10.667 -1.867 1.00 75.22 C ATOM 1409 C PRO A 90 1.449 10.912 -2.502 1.00 61.22 C ATOM 1410 O PRO A 90 1.212 11.961 -3.101 1.00 64.34 O ATOM 1411 CB PRO A 90 2.702 10.676 -0.341 1.00 3.35 C ATOM 1412 CG PRO A 90 3.048 12.070 0.056 1.00 41.23 C ATOM 1413 CD PRO A 90 4.067 12.544 -0.944 1.00 11.24 C ATOM 0 HA PRO A 90 3.152 9.716 -2.277 1.00 75.22 H new ATOM 0 HB2 PRO A 90 1.696 10.410 -0.016 1.00 3.35 H new ATOM 0 HB3 PRO A 90 3.384 9.955 0.110 1.00 3.35 H new ATOM 0 HG2 PRO A 90 2.165 12.709 0.046 1.00 41.23 H new ATOM 0 HG3 PRO A 90 3.452 12.099 1.068 1.00 41.23 H new ATOM 0 HD2 PRO A 90 3.976 13.613 -1.134 1.00 11.24 H new ATOM 0 HD3 PRO A 90 5.084 12.368 -0.595 1.00 11.24 H new ATOM 1421 N TRP A 91 0.556 9.939 -2.367 1.00 34.43 N ATOM 1422 CA TRP A 91 -0.786 10.050 -2.928 1.00 32.34 C ATOM 1423 C TRP A 91 -1.817 9.412 -2.003 1.00 12.21 C ATOM 1424 O TRP A 91 -1.627 8.295 -1.525 1.00 32.53 O ATOM 1425 CB TRP A 91 -0.841 9.389 -4.306 1.00 34.21 C ATOM 1426 CG TRP A 91 -0.294 10.253 -5.401 1.00 61.14 C ATOM 1427 CD1 TRP A 91 -0.527 11.585 -5.588 1.00 53.52 C ATOM 1428 CD2 TRP A 91 0.577 9.844 -6.462 1.00 30.55 C ATOM 1429 NE1 TRP A 91 0.146 12.029 -6.701 1.00 1.12 N ATOM 1430 CE2 TRP A 91 0.832 10.980 -7.254 1.00 14.12 C ATOM 1431 CE3 TRP A 91 1.168 8.628 -6.817 1.00 41.34 C ATOM 1432 CZ2 TRP A 91 1.650 10.934 -8.379 1.00 41.42 C ATOM 1433 CZ3 TRP A 91 1.980 8.585 -7.935 1.00 31.42 C ATOM 1434 CH2 TRP A 91 2.216 9.731 -8.705 1.00 13.55 C ATOM 0 H TRP A 91 0.736 9.064 -1.874 1.00 34.43 H new ATOM 0 HA TRP A 91 -1.024 11.109 -3.031 1.00 32.34 H new ATOM 0 HB2 TRP A 91 -0.280 8.455 -4.276 1.00 34.21 H new ATOM 0 HB3 TRP A 91 -1.875 9.133 -4.537 1.00 34.21 H new ATOM 0 HD1 TRP A 91 -1.149 12.200 -4.954 1.00 53.52 H new ATOM 0 HE1 TRP A 91 0.136 12.985 -7.058 1.00 1.12 H new ATOM 0 HE3 TRP A 91 0.994 7.739 -6.229 1.00 41.34 H new ATOM 0 HZ2 TRP A 91 1.832 11.817 -8.974 1.00 41.42 H new ATOM 0 HZ3 TRP A 91 2.441 7.651 -8.220 1.00 31.42 H new ATOM 0 HH2 TRP A 91 2.856 9.664 -9.572 1.00 13.55 H new ATOM 1445 N GLU A 92 -2.908 10.130 -1.756 1.00 15.23 N ATOM 1446 CA GLU A 92 -3.969 9.633 -0.887 1.00 62.30 C ATOM 1447 C GLU A 92 -5.280 9.494 -1.654 1.00 75.24 C ATOM 1448 O GLU A 92 -5.651 10.371 -2.435 1.00 74.42 O ATOM 1449 CB GLU A 92 -4.161 10.569 0.308 1.00 61.11 C ATOM 1450 CG GLU A 92 -3.241 10.260 1.477 1.00 44.51 C ATOM 1451 CD GLU A 92 -1.802 10.658 1.208 1.00 53.21 C ATOM 1452 OE1 GLU A 92 -1.502 11.869 1.257 1.00 41.21 O ATOM 1453 OE2 GLU A 92 -0.977 9.757 0.949 1.00 40.44 O ATOM 0 H GLU A 92 -3.081 11.057 -2.145 1.00 15.23 H new ATOM 0 HA GLU A 92 -3.674 8.648 -0.524 1.00 62.30 H new ATOM 0 HB2 GLU A 92 -3.992 11.596 -0.015 1.00 61.11 H new ATOM 0 HB3 GLU A 92 -5.196 10.507 0.645 1.00 61.11 H new ATOM 0 HG2 GLU A 92 -3.599 10.783 2.364 1.00 44.51 H new ATOM 0 HG3 GLU A 92 -3.284 9.193 1.696 1.00 44.51 H new ATOM 1460 N TYR A 93 -5.978 8.386 -1.427 1.00 5.23 N ATOM 1461 CA TYR A 93 -7.246 8.130 -2.098 1.00 52.01 C ATOM 1462 C TYR A 93 -8.234 7.450 -1.155 1.00 13.50 C ATOM 1463 O TYR A 93 -7.847 6.885 -0.133 1.00 44.24 O ATOM 1464 CB TYR A 93 -7.025 7.260 -3.336 1.00 72.25 C ATOM 1465 CG TYR A 93 -6.227 7.944 -4.423 1.00 55.52 C ATOM 1466 CD1 TYR A 93 -6.827 8.859 -5.280 1.00 41.34 C ATOM 1467 CD2 TYR A 93 -4.875 7.676 -4.594 1.00 10.13 C ATOM 1468 CE1 TYR A 93 -6.102 9.487 -6.275 1.00 73.12 C ATOM 1469 CE2 TYR A 93 -4.142 8.300 -5.585 1.00 14.13 C ATOM 1470 CZ TYR A 93 -4.760 9.204 -6.423 1.00 54.40 C ATOM 1471 OH TYR A 93 -4.034 9.827 -7.412 1.00 74.14 O ATOM 0 H TYR A 93 -5.686 7.651 -0.783 1.00 5.23 H new ATOM 0 HA TYR A 93 -7.665 9.088 -2.405 1.00 52.01 H new ATOM 0 HB2 TYR A 93 -6.510 6.346 -3.040 1.00 72.25 H new ATOM 0 HB3 TYR A 93 -7.993 6.964 -3.739 1.00 72.25 H new ATOM 0 HD1 TYR A 93 -7.877 9.083 -5.166 1.00 41.34 H new ATOM 0 HD2 TYR A 93 -4.388 6.967 -3.941 1.00 10.13 H new ATOM 0 HE1 TYR A 93 -6.583 10.195 -6.933 1.00 73.12 H new ATOM 0 HE2 TYR A 93 -3.091 8.081 -5.703 1.00 14.13 H new ATOM 0 HH TYR A 93 -3.105 9.518 -7.380 1.00 74.14 H new ATOM 1481 N GLY A 94 -9.515 7.510 -1.507 1.00 12.21 N ATOM 1482 CA GLY A 94 -10.540 6.897 -0.683 1.00 32.32 C ATOM 1483 C GLY A 94 -11.113 7.857 0.341 1.00 42.03 C ATOM 1484 O GLY A 94 -11.158 9.065 0.110 1.00 21.21 O ATOM 0 H GLY A 94 -9.861 7.972 -2.348 1.00 12.21 H new ATOM 0 HA2 GLY A 94 -11.343 6.530 -1.322 1.00 32.32 H new ATOM 0 HA3 GLY A 94 -10.120 6.032 -0.170 1.00 32.32 H new ATOM 1488 N GLU A 95 -11.553 7.319 1.474 1.00 62.32 N ATOM 1489 CA GLU A 95 -12.128 8.137 2.535 1.00 41.22 C ATOM 1490 C GLU A 95 -11.197 9.291 2.897 1.00 30.10 C ATOM 1491 O GLU A 95 -11.644 10.417 3.114 1.00 63.25 O ATOM 1492 CB GLU A 95 -12.406 7.284 3.774 1.00 71.41 C ATOM 1493 CG GLU A 95 -12.797 8.096 4.997 1.00 20.32 C ATOM 1494 CD GLU A 95 -13.617 7.296 5.991 1.00 53.05 C ATOM 1495 OE1 GLU A 95 -14.672 6.759 5.592 1.00 53.42 O ATOM 1496 OE2 GLU A 95 -13.205 7.207 7.166 1.00 72.02 O ATOM 0 H GLU A 95 -11.522 6.321 1.681 1.00 62.32 H new ATOM 0 HA GLU A 95 -13.068 8.551 2.170 1.00 41.22 H new ATOM 0 HB2 GLU A 95 -13.205 6.578 3.547 1.00 71.41 H new ATOM 0 HB3 GLU A 95 -11.518 6.697 4.007 1.00 71.41 H new ATOM 0 HG2 GLU A 95 -11.896 8.464 5.488 1.00 20.32 H new ATOM 0 HG3 GLU A 95 -13.367 8.970 4.681 1.00 20.32 H new TER 1503 GLU A 95