USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 61 ASN : amide:sc= -3.49! K(o=-6.9!,f=-4.3) USER MOD Set 1.2: A 66 HIS : no HE2:sc= -3.39! C(o=-6.9!,f=-11!) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0325 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 106:sc= -0.159 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -136:sc= -0.167 (180deg=-1.22!) USER MOD Single : A 23 HIS : no HE2:sc= -0.372 K(o=-0.37,f=-1.3) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.089) USER MOD Single : A 41 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.4) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.32) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.0917 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.051) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.03 K(o=-1,f=-0.14) USER MOD Single : A 82 SER OG : rot 180:sc= -0.112 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 91 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.579 12.508 -5.612 1.00 0.00 N ATOM 2 CA ALA A 1 -16.555 12.277 -4.553 1.00 0.00 C ATOM 3 C ALA A 1 -15.274 13.035 -4.910 1.00 0.00 C ATOM 4 O ALA A 1 -14.922 13.165 -6.067 1.00 0.00 O ATOM 5 CB ALA A 1 -16.253 10.781 -4.455 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.350 13.090 -5.228 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.141 13.000 -6.417 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.961 11.595 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.934 12.634 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.504 10.611 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.166 10.241 -4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.873 10.423 -5.412 1.00 0.00 H new ATOM 13 N ARG A 2 -14.577 13.534 -3.922 1.00 0.00 N ATOM 14 CA ARG A 2 -13.316 14.285 -4.190 1.00 0.00 C ATOM 15 C ARG A 2 -12.217 13.787 -3.241 1.00 0.00 C ATOM 16 O ARG A 2 -11.973 14.392 -2.213 1.00 0.00 O ATOM 17 CB ARG A 2 -13.554 15.779 -3.960 1.00 0.00 C ATOM 18 CG ARG A 2 -12.320 16.568 -4.402 1.00 0.00 C ATOM 19 CD ARG A 2 -12.760 17.895 -5.023 1.00 0.00 C ATOM 20 NE ARG A 2 -13.608 18.639 -4.049 1.00 0.00 N ATOM 21 CZ ARG A 2 -14.234 19.719 -4.421 1.00 0.00 C ATOM 22 NH1 ARG A 2 -13.623 20.870 -4.389 1.00 0.00 N ATOM 23 NH2 ARG A 2 -15.472 19.649 -4.829 1.00 0.00 N ATOM 0 H ARG A 2 -14.829 13.453 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.006 14.123 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -14.429 16.109 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.760 15.967 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.668 16.752 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.744 15.989 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.888 18.491 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.317 17.712 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.698 18.302 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.655 20.925 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.113 21.716 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.950 18.748 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.962 20.495 -5.120 1.00 0.00 H new ATOM 37 N PRO A 3 -11.586 12.692 -3.616 1.00 0.00 N ATOM 38 CA PRO A 3 -10.516 12.160 -2.739 1.00 0.00 C ATOM 39 C PRO A 3 -9.146 12.678 -3.187 1.00 0.00 C ATOM 40 O PRO A 3 -8.619 12.267 -4.205 1.00 0.00 O ATOM 41 CB PRO A 3 -10.592 10.646 -2.911 1.00 0.00 C ATOM 42 CG PRO A 3 -11.274 10.397 -4.268 1.00 0.00 C ATOM 43 CD PRO A 3 -12.014 11.693 -4.632 1.00 0.00 C ATOM 0 HA PRO A 3 -10.644 12.467 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.597 10.202 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.162 10.191 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.538 10.144 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.968 9.559 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.757 12.022 -5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.094 11.548 -4.610 1.00 0.00 H new ATOM 51 N ALA A 4 -8.565 13.572 -2.428 1.00 0.00 N ATOM 52 CA ALA A 4 -7.225 14.118 -2.796 1.00 0.00 C ATOM 53 C ALA A 4 -6.200 12.977 -2.826 1.00 0.00 C ATOM 54 O ALA A 4 -5.238 13.014 -3.573 1.00 0.00 O ATOM 55 CB ALA A 4 -6.804 15.160 -1.758 1.00 0.00 C ATOM 0 H ALA A 4 -8.963 13.948 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.275 14.584 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.826 15.562 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.535 15.968 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.751 14.693 -0.775 1.00 0.00 H new ATOM 61 N PHE A 5 -6.403 11.962 -2.021 1.00 0.00 N ATOM 62 CA PHE A 5 -5.450 10.812 -1.994 1.00 0.00 C ATOM 63 C PHE A 5 -5.405 10.146 -3.375 1.00 0.00 C ATOM 64 O PHE A 5 -4.343 9.862 -3.895 1.00 0.00 O ATOM 65 CB PHE A 5 -5.912 9.790 -0.944 1.00 0.00 C ATOM 66 CG PHE A 5 -4.962 8.609 -0.916 1.00 0.00 C ATOM 67 CD1 PHE A 5 -3.747 8.700 -0.227 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.299 7.428 -1.588 1.00 0.00 C ATOM 69 CE1 PHE A 5 -2.870 7.607 -0.208 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.423 6.337 -1.569 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.208 6.426 -0.879 1.00 0.00 C ATOM 0 H PHE A 5 -7.192 11.882 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.454 11.173 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.951 10.259 0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.921 9.450 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.486 9.612 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.236 7.359 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.933 7.676 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.684 5.426 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.532 5.584 -0.864 1.00 0.00 H new ATOM 81 N VAL A 6 -6.547 9.882 -3.961 1.00 0.00 N ATOM 82 CA VAL A 6 -6.562 9.220 -5.299 1.00 0.00 C ATOM 83 C VAL A 6 -5.979 10.174 -6.342 1.00 0.00 C ATOM 84 O VAL A 6 -5.352 9.749 -7.294 1.00 0.00 O ATOM 85 CB VAL A 6 -7.993 8.840 -5.688 1.00 0.00 C ATOM 86 CG1 VAL A 6 -7.953 7.976 -6.950 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.651 8.044 -4.553 1.00 0.00 C ATOM 0 H VAL A 6 -7.465 10.096 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.960 8.312 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.570 9.746 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.968 7.700 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.489 8.537 -7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.373 7.074 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.669 7.778 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.077 7.136 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.675 8.652 -3.649 1.00 0.00 H new ATOM 97 N ASN A 7 -6.165 11.460 -6.164 1.00 0.00 N ATOM 98 CA ASN A 7 -5.600 12.443 -7.140 1.00 0.00 C ATOM 99 C ASN A 7 -4.075 12.321 -7.139 1.00 0.00 C ATOM 100 O ASN A 7 -3.426 12.503 -8.152 1.00 0.00 O ATOM 101 CB ASN A 7 -5.999 13.862 -6.733 1.00 0.00 C ATOM 102 CG ASN A 7 -7.430 14.142 -7.190 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.355 14.073 -6.406 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.654 14.459 -8.436 1.00 0.00 N ATOM 0 H ASN A 7 -6.683 11.870 -5.387 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.989 12.236 -8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.923 13.976 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.316 14.585 -7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.605 14.649 -8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.878 14.517 -9.095 1.00 0.00 H new ATOM 111 N LYS A 8 -3.506 11.984 -6.009 1.00 0.00 N ATOM 112 CA LYS A 8 -2.016 11.814 -5.933 1.00 0.00 C ATOM 113 C LYS A 8 -1.664 10.389 -6.400 1.00 0.00 C ATOM 114 O LYS A 8 -0.564 10.125 -6.845 1.00 0.00 O ATOM 115 CB LYS A 8 -1.458 12.029 -4.494 1.00 0.00 C ATOM 116 CG LYS A 8 -2.515 12.586 -3.526 1.00 0.00 C ATOM 117 CD LYS A 8 -1.878 12.830 -2.157 1.00 0.00 C ATOM 118 CE LYS A 8 -1.216 14.209 -2.138 1.00 0.00 C ATOM 119 NZ LYS A 8 0.012 14.157 -1.297 1.00 0.00 N ATOM 0 H LYS A 8 -4.005 11.819 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.561 12.570 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.082 11.081 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.612 12.715 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.927 13.516 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.344 11.884 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.636 12.768 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.139 12.057 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.962 14.517 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.909 14.952 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.463 15.094 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.243 13.881 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.674 13.460 -1.693 1.00 0.00 H new ATOM 133 N LEU A 9 -2.599 9.473 -6.295 1.00 0.00 N ATOM 134 CA LEU A 9 -2.351 8.063 -6.720 1.00 0.00 C ATOM 135 C LEU A 9 -2.113 8.014 -8.232 1.00 0.00 C ATOM 136 O LEU A 9 -1.247 7.303 -8.712 1.00 0.00 O ATOM 137 CB LEU A 9 -3.595 7.236 -6.374 1.00 0.00 C ATOM 138 CG LEU A 9 -3.392 5.769 -6.757 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.563 5.069 -5.678 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.761 5.093 -6.881 1.00 0.00 C ATOM 0 H LEU A 9 -3.534 9.648 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.473 7.665 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.804 7.313 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.462 7.637 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.865 5.703 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.419 4.024 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.593 5.558 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.086 5.126 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.627 4.046 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.285 5.155 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.347 5.596 -7.650 1.00 0.00 H new ATOM 152 N TRP A 10 -2.889 8.754 -8.979 1.00 0.00 N ATOM 153 CA TRP A 10 -2.738 8.755 -10.460 1.00 0.00 C ATOM 154 C TRP A 10 -1.714 9.816 -10.876 1.00 0.00 C ATOM 155 O TRP A 10 -1.981 10.677 -11.692 1.00 0.00 O ATOM 156 CB TRP A 10 -4.099 9.046 -11.096 1.00 0.00 C ATOM 157 CG TRP A 10 -4.997 7.857 -10.913 1.00 0.00 C ATOM 158 CD1 TRP A 10 -4.635 6.565 -11.106 1.00 0.00 C ATOM 159 CD2 TRP A 10 -6.396 7.827 -10.503 1.00 0.00 C ATOM 160 NE1 TRP A 10 -5.721 5.750 -10.842 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.829 6.480 -10.468 1.00 0.00 C ATOM 162 CE3 TRP A 10 -7.321 8.828 -10.162 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -8.133 6.139 -10.108 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -8.633 8.487 -9.799 1.00 0.00 C ATOM 165 CH2 TRP A 10 -9.039 7.147 -9.773 1.00 0.00 C ATOM 0 H TRP A 10 -3.626 9.362 -8.622 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.382 7.782 -10.799 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.546 9.928 -10.638 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.978 9.265 -12.157 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.657 6.227 -11.416 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.704 4.733 -10.915 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -7.021 9.865 -10.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.439 5.103 -10.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -9.335 9.265 -9.537 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -10.051 6.894 -9.494 1.00 0.00 H new ATOM 176 N SER A 11 -0.536 9.740 -10.318 1.00 0.00 N ATOM 177 CA SER A 11 0.542 10.706 -10.654 1.00 0.00 C ATOM 178 C SER A 11 1.881 10.034 -10.359 1.00 0.00 C ATOM 179 O SER A 11 2.770 10.010 -11.188 1.00 0.00 O ATOM 180 CB SER A 11 0.400 11.964 -9.798 1.00 0.00 C ATOM 181 OG SER A 11 -0.895 12.517 -9.990 1.00 0.00 O ATOM 0 H SER A 11 -0.273 9.034 -9.630 1.00 0.00 H new ATOM 0 HA SER A 11 0.479 10.992 -11.704 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.553 11.722 -8.746 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.164 12.692 -10.071 1.00 0.00 H new ATOM 0 HG SER A 11 -1.447 12.339 -9.200 1.00 0.00 H new ATOM 187 N MET A 12 2.013 9.458 -9.187 1.00 0.00 N ATOM 188 CA MET A 12 3.286 8.747 -8.845 1.00 0.00 C ATOM 189 C MET A 12 3.144 7.265 -9.210 1.00 0.00 C ATOM 190 O MET A 12 4.119 6.606 -9.516 1.00 0.00 O ATOM 191 CB MET A 12 3.685 8.886 -7.350 1.00 0.00 C ATOM 192 CG MET A 12 2.500 9.260 -6.447 1.00 0.00 C ATOM 193 SD MET A 12 1.421 7.825 -6.232 1.00 0.00 S ATOM 194 CE MET A 12 2.080 7.268 -4.637 1.00 0.00 C ATOM 0 H MET A 12 1.300 9.449 -8.458 1.00 0.00 H new ATOM 0 HA MET A 12 4.084 9.215 -9.422 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.115 7.946 -7.005 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.461 9.645 -7.255 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.863 9.603 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.941 10.085 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.544 6.376 -4.314 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.140 7.037 -4.742 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.952 8.056 -3.895 1.00 0.00 H new ATOM 204 N VAL A 13 1.937 6.734 -9.193 1.00 0.00 N ATOM 205 CA VAL A 13 1.752 5.294 -9.555 1.00 0.00 C ATOM 206 C VAL A 13 2.057 5.125 -11.051 1.00 0.00 C ATOM 207 O VAL A 13 2.944 4.384 -11.431 1.00 0.00 O ATOM 208 CB VAL A 13 0.305 4.854 -9.261 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.091 3.402 -9.709 1.00 0.00 C ATOM 210 CG2 VAL A 13 0.032 4.943 -7.758 1.00 0.00 C ATOM 0 H VAL A 13 1.083 7.234 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 13 2.426 4.675 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.373 5.511 -9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.935 3.103 -9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.278 3.320 -10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.778 2.750 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.992 4.631 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.723 4.291 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.171 5.971 -7.423 1.00 0.00 H new ATOM 220 N ASN A 14 1.325 5.809 -11.894 1.00 0.00 N ATOM 221 CA ASN A 14 1.562 5.699 -13.364 1.00 0.00 C ATOM 222 C ASN A 14 2.584 6.757 -13.797 1.00 0.00 C ATOM 223 O ASN A 14 2.366 7.493 -14.744 1.00 0.00 O ATOM 224 CB ASN A 14 0.239 5.916 -14.111 1.00 0.00 C ATOM 225 CG ASN A 14 -0.386 7.245 -13.679 1.00 0.00 C ATOM 226 OD1 ASN A 14 0.296 8.243 -13.566 1.00 0.00 O ATOM 227 ND2 ASN A 14 -1.667 7.300 -13.435 1.00 0.00 N ATOM 0 H ASN A 14 0.571 6.441 -11.625 1.00 0.00 H new ATOM 0 HA ASN A 14 1.950 4.708 -13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.414 5.918 -15.187 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.447 5.095 -13.901 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.094 8.181 -13.150 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.241 6.462 -13.530 1.00 0.00 H new ATOM 234 N ASP A 15 3.697 6.836 -13.113 1.00 0.00 N ATOM 235 CA ASP A 15 4.736 7.842 -13.479 1.00 0.00 C ATOM 236 C ASP A 15 5.924 7.132 -14.127 1.00 0.00 C ATOM 237 O ASP A 15 6.114 5.941 -13.959 1.00 0.00 O ATOM 238 CB ASP A 15 5.204 8.579 -12.222 1.00 0.00 C ATOM 239 CG ASP A 15 5.502 10.039 -12.570 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.744 10.611 -13.337 1.00 0.00 O ATOM 241 OD2 ASP A 15 6.483 10.560 -12.065 1.00 0.00 O ATOM 0 H ASP A 15 3.930 6.245 -12.315 1.00 0.00 H new ATOM 0 HA ASP A 15 4.313 8.560 -14.181 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.437 8.527 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.096 8.101 -11.818 1.00 0.00 H new ATOM 246 N LYS A 16 6.722 7.856 -14.868 1.00 0.00 N ATOM 247 CA LYS A 16 7.901 7.235 -15.537 1.00 0.00 C ATOM 248 C LYS A 16 9.096 7.186 -14.575 1.00 0.00 C ATOM 249 O LYS A 16 10.040 6.449 -14.794 1.00 0.00 O ATOM 250 CB LYS A 16 8.278 8.064 -16.767 1.00 0.00 C ATOM 251 CG LYS A 16 7.057 8.224 -17.675 1.00 0.00 C ATOM 252 CD LYS A 16 7.461 8.973 -18.948 1.00 0.00 C ATOM 253 CE LYS A 16 8.003 7.977 -19.975 1.00 0.00 C ATOM 254 NZ LYS A 16 8.654 8.718 -21.091 1.00 0.00 N ATOM 0 H LYS A 16 6.606 8.855 -15.039 1.00 0.00 H new ATOM 0 HA LYS A 16 7.644 6.219 -15.835 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.645 9.043 -16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.087 7.577 -17.312 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.650 7.246 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.271 8.770 -17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.602 9.504 -19.359 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.218 9.722 -18.717 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.720 7.306 -19.503 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.193 7.358 -20.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.022 8.041 -21.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.957 9.341 -21.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.438 9.290 -20.717 1.00 0.00 H new ATOM 268 N SER A 17 9.074 7.968 -13.518 1.00 0.00 N ATOM 269 CA SER A 17 10.218 7.965 -12.558 1.00 0.00 C ATOM 270 C SER A 17 10.110 6.758 -11.620 1.00 0.00 C ATOM 271 O SER A 17 11.102 6.146 -11.272 1.00 0.00 O ATOM 272 CB SER A 17 10.204 9.259 -11.741 1.00 0.00 C ATOM 273 OG SER A 17 11.504 9.836 -11.760 1.00 0.00 O ATOM 0 H SER A 17 8.313 8.605 -13.283 1.00 0.00 H new ATOM 0 HA SER A 17 11.153 7.899 -13.114 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.477 9.957 -12.155 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.899 9.053 -10.715 1.00 0.00 H new ATOM 0 HG SER A 17 11.501 10.666 -11.240 1.00 0.00 H new ATOM 279 N ASN A 18 8.916 6.417 -11.208 1.00 0.00 N ATOM 280 CA ASN A 18 8.743 5.250 -10.290 1.00 0.00 C ATOM 281 C ASN A 18 8.205 4.061 -11.086 1.00 0.00 C ATOM 282 O ASN A 18 7.483 3.233 -10.565 1.00 0.00 O ATOM 283 CB ASN A 18 7.752 5.601 -9.170 1.00 0.00 C ATOM 284 CG ASN A 18 8.072 6.985 -8.598 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.150 7.211 -8.085 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.174 7.928 -8.671 1.00 0.00 N ATOM 0 H ASN A 18 8.053 6.896 -11.467 1.00 0.00 H new ATOM 0 HA ASN A 18 9.706 4.997 -9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.733 5.586 -9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.804 4.852 -8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.377 8.855 -8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.269 7.738 -9.102 1.00 0.00 H new ATOM 293 N GLU A 19 8.547 3.977 -12.345 1.00 0.00 N ATOM 294 CA GLU A 19 8.054 2.850 -13.189 1.00 0.00 C ATOM 295 C GLU A 19 8.630 1.525 -12.684 1.00 0.00 C ATOM 296 O GLU A 19 7.923 0.542 -12.558 1.00 0.00 O ATOM 297 CB GLU A 19 8.494 3.073 -14.636 1.00 0.00 C ATOM 298 CG GLU A 19 7.834 2.029 -15.539 1.00 0.00 C ATOM 299 CD GLU A 19 6.502 2.574 -16.058 1.00 0.00 C ATOM 300 OE1 GLU A 19 5.628 2.819 -15.244 1.00 0.00 O ATOM 301 OE2 GLU A 19 6.380 2.737 -17.261 1.00 0.00 O ATOM 0 H GLU A 19 9.150 4.644 -12.827 1.00 0.00 H new ATOM 0 HA GLU A 19 6.966 2.811 -13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.218 4.076 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.579 3.001 -14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.491 1.788 -16.375 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.670 1.105 -14.985 1.00 0.00 H new ATOM 308 N LYS A 20 9.907 1.489 -12.402 1.00 0.00 N ATOM 309 CA LYS A 20 10.537 0.226 -11.916 1.00 0.00 C ATOM 310 C LYS A 20 10.184 -0.029 -10.441 1.00 0.00 C ATOM 311 O LYS A 20 10.538 -1.055 -9.890 1.00 0.00 O ATOM 312 CB LYS A 20 12.060 0.335 -12.064 1.00 0.00 C ATOM 313 CG LYS A 20 12.632 -0.994 -12.581 1.00 0.00 C ATOM 314 CD LYS A 20 13.837 -1.406 -11.729 1.00 0.00 C ATOM 315 CE LYS A 20 15.048 -0.552 -12.110 1.00 0.00 C ATOM 316 NZ LYS A 20 15.364 -0.755 -13.553 1.00 0.00 N ATOM 0 H LYS A 20 10.542 2.283 -12.488 1.00 0.00 H new ATOM 0 HA LYS A 20 10.159 -0.606 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.310 1.141 -12.753 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.510 0.586 -11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.867 -1.769 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.931 -0.891 -13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.608 -1.279 -10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.060 -2.462 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.840 0.500 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.907 -0.825 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.391 -0.866 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.881 -1.610 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.040 0.069 -14.099 1.00 0.00 H new ATOM 330 N PHE A 21 9.496 0.884 -9.794 1.00 0.00 N ATOM 331 CA PHE A 21 9.137 0.674 -8.359 1.00 0.00 C ATOM 332 C PHE A 21 7.637 0.379 -8.224 1.00 0.00 C ATOM 333 O PHE A 21 7.192 -0.128 -7.211 1.00 0.00 O ATOM 334 CB PHE A 21 9.491 1.929 -7.558 1.00 0.00 C ATOM 335 CG PHE A 21 10.991 2.018 -7.398 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.686 0.994 -6.743 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.686 3.123 -7.906 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.075 1.075 -6.595 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.077 3.203 -7.757 1.00 0.00 C ATOM 340 CZ PHE A 21 13.771 2.179 -7.102 1.00 0.00 C ATOM 0 H PHE A 21 9.170 1.762 -10.199 1.00 0.00 H new ATOM 0 HA PHE A 21 9.697 -0.177 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.116 2.816 -8.067 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.011 1.896 -6.580 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.150 0.142 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.150 3.913 -8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.611 0.285 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.614 4.055 -8.148 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.843 2.240 -6.988 1.00 0.00 H new ATOM 350 N ILE A 22 6.855 0.686 -9.231 1.00 0.00 N ATOM 351 CA ILE A 22 5.389 0.421 -9.155 1.00 0.00 C ATOM 352 C ILE A 22 4.763 0.647 -10.537 1.00 0.00 C ATOM 353 O ILE A 22 5.083 1.600 -11.223 1.00 0.00 O ATOM 354 CB ILE A 22 4.760 1.366 -8.119 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.259 1.078 -8.002 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.975 2.823 -8.538 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.702 1.737 -6.736 1.00 0.00 C ATOM 0 H ILE A 22 7.172 1.110 -10.103 1.00 0.00 H new ATOM 0 HA ILE A 22 5.208 -0.610 -8.850 1.00 0.00 H new ATOM 0 HB ILE A 22 5.236 1.201 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.737 1.457 -8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.087 0.002 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.526 3.485 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.043 3.028 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.509 2.995 -9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.635 1.530 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.215 1.337 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.859 2.814 -6.787 1.00 0.00 H new ATOM 369 N HIS A 23 3.880 -0.227 -10.948 1.00 0.00 N ATOM 370 CA HIS A 23 3.235 -0.071 -12.285 1.00 0.00 C ATOM 371 C HIS A 23 2.013 -0.987 -12.378 1.00 0.00 C ATOM 372 O HIS A 23 1.872 -1.927 -11.616 1.00 0.00 O ATOM 373 CB HIS A 23 4.240 -0.440 -13.381 1.00 0.00 C ATOM 374 CG HIS A 23 4.783 -1.822 -13.128 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.387 -2.919 -13.876 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.692 -2.299 -12.213 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.048 -3.991 -13.404 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.856 -3.669 -12.390 1.00 0.00 N ATOM 0 H HIS A 23 3.578 -1.042 -10.414 1.00 0.00 H new ATOM 0 HA HIS A 23 2.918 0.964 -12.416 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.758 -0.402 -14.358 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.055 0.284 -13.399 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.716 -2.914 -14.645 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.201 -1.702 -11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.939 -4.991 -13.797 1.00 0.00 H new ATOM 386 N TRP A 24 1.133 -0.718 -13.307 1.00 0.00 N ATOM 387 CA TRP A 24 -0.085 -1.564 -13.461 1.00 0.00 C ATOM 388 C TRP A 24 0.246 -2.784 -14.325 1.00 0.00 C ATOM 389 O TRP A 24 0.918 -2.676 -15.332 1.00 0.00 O ATOM 390 CB TRP A 24 -1.187 -0.750 -14.141 1.00 0.00 C ATOM 391 CG TRP A 24 -1.525 0.443 -13.305 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.796 1.580 -13.242 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.664 0.638 -12.415 1.00 0.00 C ATOM 394 NE1 TRP A 24 -1.416 2.461 -12.372 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.569 1.924 -11.837 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.759 -0.170 -12.059 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.528 2.395 -10.937 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.725 0.299 -11.155 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.609 1.579 -10.594 1.00 0.00 C ATOM 0 H TRP A 24 1.207 0.055 -13.968 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.424 -1.893 -12.479 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.858 -0.431 -15.130 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.073 -1.368 -14.284 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.120 1.770 -13.782 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.064 3.393 -12.153 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.857 -1.158 -12.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.435 3.382 -10.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.562 -0.330 -10.890 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.354 1.934 -9.898 1.00 0.00 H new ATOM 410 N SER A 25 -0.229 -3.942 -13.939 1.00 0.00 N ATOM 411 CA SER A 25 0.044 -5.176 -14.734 1.00 0.00 C ATOM 412 C SER A 25 -0.583 -5.030 -16.122 1.00 0.00 C ATOM 413 O SER A 25 0.109 -4.922 -17.116 1.00 0.00 O ATOM 414 CB SER A 25 -0.571 -6.384 -14.026 1.00 0.00 C ATOM 415 OG SER A 25 -0.462 -7.526 -14.865 1.00 0.00 O ATOM 0 H SER A 25 -0.796 -4.085 -13.104 1.00 0.00 H new ATOM 0 HA SER A 25 1.120 -5.319 -14.829 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.061 -6.564 -13.080 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.618 -6.189 -13.792 1.00 0.00 H new ATOM 0 HG SER A 25 -0.854 -8.302 -14.413 1.00 0.00 H new ATOM 421 N THR A 26 -1.890 -5.020 -16.189 1.00 0.00 N ATOM 422 CA THR A 26 -2.579 -4.874 -17.504 1.00 0.00 C ATOM 423 C THR A 26 -3.145 -3.456 -17.617 1.00 0.00 C ATOM 424 O THR A 26 -3.138 -2.704 -16.661 1.00 0.00 O ATOM 425 CB THR A 26 -3.716 -5.897 -17.600 1.00 0.00 C ATOM 426 OG1 THR A 26 -3.292 -7.128 -17.031 1.00 0.00 O ATOM 427 CG2 THR A 26 -4.091 -6.115 -19.067 1.00 0.00 C ATOM 0 H THR A 26 -2.511 -5.107 -15.385 1.00 0.00 H new ATOM 0 HA THR A 26 -1.872 -5.049 -18.315 1.00 0.00 H new ATOM 0 HB THR A 26 -4.585 -5.524 -17.058 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.019 -7.783 -17.090 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.900 -6.843 -19.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.417 -5.171 -19.503 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.224 -6.487 -19.613 1.00 0.00 H new ATOM 435 N SER A 27 -3.630 -3.083 -18.777 1.00 0.00 N ATOM 436 CA SER A 27 -4.193 -1.707 -18.954 1.00 0.00 C ATOM 437 C SER A 27 -5.358 -1.493 -17.980 1.00 0.00 C ATOM 438 O SER A 27 -6.492 -1.825 -18.273 1.00 0.00 O ATOM 439 CB SER A 27 -4.683 -1.536 -20.398 1.00 0.00 C ATOM 440 OG SER A 27 -3.993 -0.448 -20.999 1.00 0.00 O ATOM 0 H SER A 27 -3.660 -3.672 -19.609 1.00 0.00 H new ATOM 0 HA SER A 27 -3.417 -0.970 -18.747 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.509 -2.451 -20.965 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.757 -1.353 -20.411 1.00 0.00 H new ATOM 0 HG SER A 27 -4.301 -0.335 -21.922 1.00 0.00 H new ATOM 446 N GLY A 28 -5.082 -0.939 -16.825 1.00 0.00 N ATOM 447 CA GLY A 28 -6.165 -0.697 -15.824 1.00 0.00 C ATOM 448 C GLY A 28 -6.783 -2.031 -15.401 1.00 0.00 C ATOM 449 O GLY A 28 -7.643 -2.566 -16.076 1.00 0.00 O ATOM 0 H GLY A 28 -4.151 -0.643 -16.532 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.760 -0.180 -14.954 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.931 -0.050 -16.251 1.00 0.00 H new ATOM 453 N GLU A 29 -6.351 -2.568 -14.288 1.00 0.00 N ATOM 454 CA GLU A 29 -6.909 -3.867 -13.812 1.00 0.00 C ATOM 455 C GLU A 29 -6.448 -4.126 -12.377 1.00 0.00 C ATOM 456 O GLU A 29 -7.242 -4.158 -11.456 1.00 0.00 O ATOM 457 CB GLU A 29 -6.416 -4.998 -14.716 1.00 0.00 C ATOM 458 CG GLU A 29 -7.384 -6.178 -14.625 1.00 0.00 C ATOM 459 CD GLU A 29 -6.927 -7.289 -15.572 1.00 0.00 C ATOM 460 OE1 GLU A 29 -6.778 -7.011 -16.751 1.00 0.00 O ATOM 461 OE2 GLU A 29 -6.733 -8.398 -15.103 1.00 0.00 O ATOM 0 H GLU A 29 -5.634 -2.160 -13.688 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.998 -3.826 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.345 -4.650 -15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.416 -5.310 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.423 -6.551 -13.602 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.392 -5.856 -14.886 1.00 0.00 H new ATOM 468 N SER A 30 -5.168 -4.312 -12.184 1.00 0.00 N ATOM 469 CA SER A 30 -4.638 -4.570 -10.816 1.00 0.00 C ATOM 470 C SER A 30 -3.206 -4.050 -10.728 1.00 0.00 C ATOM 471 O SER A 30 -2.407 -4.262 -11.620 1.00 0.00 O ATOM 472 CB SER A 30 -4.654 -6.072 -10.536 1.00 0.00 C ATOM 473 OG SER A 30 -3.717 -6.716 -11.386 1.00 0.00 O ATOM 0 H SER A 30 -4.464 -4.296 -12.922 1.00 0.00 H new ATOM 0 HA SER A 30 -5.260 -4.060 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.406 -6.262 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.653 -6.475 -10.705 1.00 0.00 H new ATOM 0 HG SER A 30 -3.723 -7.680 -11.208 1.00 0.00 H new ATOM 479 N ILE A 31 -2.877 -3.367 -9.662 1.00 0.00 N ATOM 480 CA ILE A 31 -1.496 -2.827 -9.516 1.00 0.00 C ATOM 481 C ILE A 31 -0.582 -3.912 -8.947 1.00 0.00 C ATOM 482 O ILE A 31 -1.026 -4.811 -8.258 1.00 0.00 O ATOM 483 CB ILE A 31 -1.511 -1.621 -8.573 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.506 -0.582 -9.098 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.112 -1.000 -8.510 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.906 0.366 -7.964 1.00 0.00 C ATOM 0 H ILE A 31 -3.507 -3.161 -8.887 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.125 -2.515 -10.492 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.808 -1.943 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.060 -0.018 -9.917 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.389 -1.080 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.125 -0.142 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.598 -1.740 -8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.188 -0.676 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.614 1.105 -8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.370 -0.205 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.019 0.874 -7.584 1.00 0.00 H new ATOM 498 N VAL A 32 0.691 -3.827 -9.232 1.00 0.00 N ATOM 499 CA VAL A 32 1.648 -4.845 -8.713 1.00 0.00 C ATOM 500 C VAL A 32 2.771 -4.140 -7.950 1.00 0.00 C ATOM 501 O VAL A 32 3.171 -3.044 -8.295 1.00 0.00 O ATOM 502 CB VAL A 32 2.241 -5.635 -9.883 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.129 -6.760 -9.346 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.109 -6.241 -10.718 1.00 0.00 C ATOM 0 H VAL A 32 1.109 -3.093 -9.804 1.00 0.00 H new ATOM 0 HA VAL A 32 1.126 -5.529 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 32 2.836 -4.965 -10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.550 -7.321 -10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.937 -6.334 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.534 -7.428 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.532 -6.803 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.514 -6.908 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.474 -5.443 -11.104 1.00 0.00 H new ATOM 514 N VAL A 33 3.278 -4.762 -6.917 1.00 0.00 N ATOM 515 CA VAL A 33 4.378 -4.136 -6.127 1.00 0.00 C ATOM 516 C VAL A 33 5.605 -5.058 -6.152 1.00 0.00 C ATOM 517 O VAL A 33 5.842 -5.791 -5.209 1.00 0.00 O ATOM 518 CB VAL A 33 3.917 -3.932 -4.679 1.00 0.00 C ATOM 519 CG1 VAL A 33 4.976 -3.132 -3.914 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.581 -3.173 -4.655 1.00 0.00 C ATOM 0 H VAL A 33 2.976 -5.679 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 33 4.638 -3.170 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 33 3.782 -4.905 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.649 -2.987 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.920 -3.678 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.114 -2.162 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.261 -3.032 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.706 -2.201 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.827 -3.747 -5.194 1.00 0.00 H new ATOM 530 N PRO A 34 6.351 -4.996 -7.237 1.00 0.00 N ATOM 531 CA PRO A 34 7.548 -5.868 -7.316 1.00 0.00 C ATOM 532 C PRO A 34 8.575 -5.453 -6.258 1.00 0.00 C ATOM 533 O PRO A 34 9.384 -6.250 -5.819 1.00 0.00 O ATOM 534 CB PRO A 34 8.099 -5.651 -8.724 1.00 0.00 C ATOM 535 CG PRO A 34 7.569 -4.282 -9.187 1.00 0.00 C ATOM 536 CD PRO A 34 6.339 -3.972 -8.318 1.00 0.00 C ATOM 0 HA PRO A 34 7.313 -6.916 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.189 -5.666 -8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.771 -6.443 -9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.331 -3.511 -9.070 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.301 -4.307 -10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.393 -2.965 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.421 -4.028 -8.902 1.00 0.00 H new ATOM 544 N ASN A 35 8.540 -4.213 -5.841 1.00 0.00 N ATOM 545 CA ASN A 35 9.503 -3.736 -4.808 1.00 0.00 C ATOM 546 C ASN A 35 8.761 -2.853 -3.803 1.00 0.00 C ATOM 547 O ASN A 35 8.771 -1.641 -3.904 1.00 0.00 O ATOM 548 CB ASN A 35 10.616 -2.928 -5.478 1.00 0.00 C ATOM 549 CG ASN A 35 11.480 -3.860 -6.331 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.062 -4.800 -5.825 1.00 0.00 O ATOM 551 ND2 ASN A 35 11.589 -3.640 -7.612 1.00 0.00 N ATOM 0 H ASN A 35 7.882 -3.509 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 35 9.942 -4.590 -4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.186 -2.143 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.229 -2.437 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.162 -4.256 -8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.101 -2.852 -8.037 1.00 0.00 H new ATOM 558 N ARG A 36 8.111 -3.456 -2.839 1.00 0.00 N ATOM 559 CA ARG A 36 7.357 -2.665 -1.823 1.00 0.00 C ATOM 560 C ARG A 36 8.340 -2.007 -0.853 1.00 0.00 C ATOM 561 O ARG A 36 8.134 -0.894 -0.407 1.00 0.00 O ATOM 562 CB ARG A 36 6.422 -3.599 -1.045 1.00 0.00 C ATOM 563 CG ARG A 36 5.270 -2.792 -0.424 1.00 0.00 C ATOM 564 CD ARG A 36 5.276 -2.956 1.099 1.00 0.00 C ATOM 565 NE ARG A 36 3.874 -3.072 1.593 1.00 0.00 N ATOM 566 CZ ARG A 36 3.628 -3.058 2.876 1.00 0.00 C ATOM 567 NH1 ARG A 36 4.313 -3.821 3.683 1.00 0.00 N ATOM 568 NH2 ARG A 36 2.694 -2.280 3.352 1.00 0.00 N ATOM 0 H ARG A 36 8.071 -4.467 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 36 6.772 -1.894 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.023 -4.365 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.979 -4.115 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.371 -1.739 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.317 -3.131 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.845 -3.843 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.768 -2.102 1.565 1.00 0.00 H new ATOM 0 HE ARG A 36 3.106 -3.162 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.042 -4.430 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.119 -3.808 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.157 -1.684 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.501 -2.268 4.354 1.00 0.00 H new ATOM 582 N GLU A 37 9.405 -2.691 -0.521 1.00 0.00 N ATOM 583 CA GLU A 37 10.408 -2.118 0.424 1.00 0.00 C ATOM 584 C GLU A 37 11.141 -0.950 -0.241 1.00 0.00 C ATOM 585 O GLU A 37 11.192 0.142 0.293 1.00 0.00 O ATOM 586 CB GLU A 37 11.418 -3.201 0.808 1.00 0.00 C ATOM 587 CG GLU A 37 12.339 -2.674 1.910 1.00 0.00 C ATOM 588 CD GLU A 37 11.687 -2.907 3.273 1.00 0.00 C ATOM 589 OE1 GLU A 37 10.527 -2.561 3.420 1.00 0.00 O ATOM 590 OE2 GLU A 37 12.359 -3.430 4.148 1.00 0.00 O ATOM 0 H GLU A 37 9.623 -3.626 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 37 9.897 -1.758 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.896 -4.094 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.005 -3.491 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.304 -3.179 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.529 -1.611 1.763 1.00 0.00 H new ATOM 597 N ARG A 38 11.713 -1.174 -1.395 1.00 0.00 N ATOM 598 CA ARG A 38 12.452 -0.080 -2.096 1.00 0.00 C ATOM 599 C ARG A 38 11.478 1.047 -2.463 1.00 0.00 C ATOM 600 O ARG A 38 11.848 2.205 -2.524 1.00 0.00 O ATOM 601 CB ARG A 38 13.100 -0.643 -3.371 1.00 0.00 C ATOM 602 CG ARG A 38 14.622 -0.706 -3.202 1.00 0.00 C ATOM 603 CD ARG A 38 14.982 -1.779 -2.171 1.00 0.00 C ATOM 604 NE ARG A 38 16.387 -2.227 -2.389 1.00 0.00 N ATOM 605 CZ ARG A 38 16.626 -3.388 -2.936 1.00 0.00 C ATOM 606 NH1 ARG A 38 15.918 -3.788 -3.955 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.576 -4.147 -2.462 1.00 0.00 N ATOM 0 H ARG A 38 11.701 -2.069 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 38 13.226 0.318 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.708 -1.638 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.846 -0.015 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.095 -0.933 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.002 0.263 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.868 -1.382 -1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.301 -2.626 -2.259 1.00 0.00 H new ATOM 0 HE ARG A 38 17.162 -1.626 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.177 -3.194 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.106 -4.695 -4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.130 -3.833 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.764 -5.054 -2.888 1.00 0.00 H new ATOM 621 N PHE A 39 10.240 0.712 -2.713 1.00 0.00 N ATOM 622 CA PHE A 39 9.231 1.749 -3.084 1.00 0.00 C ATOM 623 C PHE A 39 9.069 2.754 -1.933 1.00 0.00 C ATOM 624 O PHE A 39 9.431 3.908 -2.055 1.00 0.00 O ATOM 625 CB PHE A 39 7.889 1.054 -3.384 1.00 0.00 C ATOM 626 CG PHE A 39 6.774 2.073 -3.528 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.579 2.744 -4.742 1.00 0.00 C ATOM 628 CD2 PHE A 39 5.939 2.343 -2.439 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.547 3.683 -4.865 1.00 0.00 C ATOM 630 CE2 PHE A 39 4.909 3.283 -2.560 1.00 0.00 C ATOM 631 CZ PHE A 39 4.712 3.952 -3.774 1.00 0.00 C ATOM 0 H PHE A 39 9.881 -0.242 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 39 9.563 2.291 -3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.974 0.470 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.649 0.356 -2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.224 2.537 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.089 1.825 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.395 4.199 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.267 3.492 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.916 4.676 -3.869 1.00 0.00 H new ATOM 641 N VAL A 40 8.505 2.328 -0.830 1.00 0.00 N ATOM 642 CA VAL A 40 8.293 3.259 0.323 1.00 0.00 C ATOM 643 C VAL A 40 9.612 3.936 0.716 1.00 0.00 C ATOM 644 O VAL A 40 9.694 5.143 0.810 1.00 0.00 O ATOM 645 CB VAL A 40 7.748 2.472 1.524 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.420 3.433 2.671 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.472 1.732 1.117 1.00 0.00 C ATOM 0 H VAL A 40 8.181 1.373 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 40 7.577 4.026 0.026 1.00 0.00 H new ATOM 0 HB VAL A 40 8.503 1.757 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.034 2.868 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.323 3.965 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.669 4.151 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.087 1.174 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.723 2.452 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.695 1.042 0.303 1.00 0.00 H new ATOM 657 N GLN A 41 10.632 3.159 0.961 1.00 0.00 N ATOM 658 CA GLN A 41 11.950 3.732 1.378 1.00 0.00 C ATOM 659 C GLN A 41 12.445 4.806 0.400 1.00 0.00 C ATOM 660 O GLN A 41 13.209 5.676 0.778 1.00 0.00 O ATOM 661 CB GLN A 41 12.985 2.612 1.461 1.00 0.00 C ATOM 662 CG GLN A 41 12.616 1.662 2.602 1.00 0.00 C ATOM 663 CD GLN A 41 12.639 2.410 3.941 1.00 0.00 C ATOM 664 OE1 GLN A 41 13.601 3.080 4.261 1.00 0.00 O ATOM 665 NE2 GLN A 41 11.611 2.320 4.740 1.00 0.00 N ATOM 0 H GLN A 41 10.611 2.142 0.890 1.00 0.00 H new ATOM 0 HA GLN A 41 11.815 4.203 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.024 2.067 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.977 3.031 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.626 1.241 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.316 0.827 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.804 1.758 4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.615 2.812 5.633 1.00 0.00 H new ATOM 674 N GLU A 42 12.048 4.749 -0.851 1.00 0.00 N ATOM 675 CA GLU A 42 12.542 5.771 -1.828 1.00 0.00 C ATOM 676 C GLU A 42 11.394 6.363 -2.660 1.00 0.00 C ATOM 677 O GLU A 42 11.611 6.810 -3.772 1.00 0.00 O ATOM 678 CB GLU A 42 13.554 5.113 -2.773 1.00 0.00 C ATOM 679 CG GLU A 42 14.733 4.546 -1.968 1.00 0.00 C ATOM 680 CD GLU A 42 16.041 5.196 -2.429 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.054 6.404 -2.592 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.007 4.472 -2.613 1.00 0.00 O ATOM 0 H GLU A 42 11.412 4.049 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 42 13.007 6.580 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.071 4.315 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.915 5.843 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.580 4.730 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.788 3.465 -2.099 1.00 0.00 H new ATOM 689 N VAL A 43 10.184 6.384 -2.147 1.00 0.00 N ATOM 690 CA VAL A 43 9.053 6.968 -2.943 1.00 0.00 C ATOM 691 C VAL A 43 7.958 7.526 -2.018 1.00 0.00 C ATOM 692 O VAL A 43 7.370 8.551 -2.312 1.00 0.00 O ATOM 693 CB VAL A 43 8.447 5.898 -3.867 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.392 6.542 -4.772 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.546 5.288 -4.743 1.00 0.00 C ATOM 0 H VAL A 43 9.932 6.028 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 43 9.452 7.785 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 43 7.989 5.119 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.963 5.784 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.605 6.980 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.857 7.321 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.112 4.531 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.004 6.070 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.304 4.829 -4.109 1.00 0.00 H new ATOM 705 N LEU A 44 7.661 6.866 -0.922 1.00 0.00 N ATOM 706 CA LEU A 44 6.584 7.377 -0.014 1.00 0.00 C ATOM 707 C LEU A 44 6.980 8.740 0.580 1.00 0.00 C ATOM 708 O LEU A 44 6.167 9.642 0.604 1.00 0.00 O ATOM 709 CB LEU A 44 6.324 6.375 1.116 1.00 0.00 C ATOM 710 CG LEU A 44 4.946 6.637 1.731 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.855 6.382 0.687 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.740 5.699 2.923 1.00 0.00 C ATOM 0 H LEU A 44 8.113 6.003 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 44 5.673 7.500 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.373 5.357 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.097 6.465 1.880 1.00 0.00 H new ATOM 0 HG LEU A 44 4.888 7.674 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.877 6.570 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.002 7.048 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.908 5.347 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.760 5.882 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.799 4.664 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.514 5.883 3.668 1.00 0.00 H new ATOM 724 N PRO A 45 8.208 8.856 1.042 1.00 0.00 N ATOM 725 CA PRO A 45 8.618 10.164 1.619 1.00 0.00 C ATOM 726 C PRO A 45 8.989 11.158 0.510 1.00 0.00 C ATOM 727 O PRO A 45 9.072 12.350 0.742 1.00 0.00 O ATOM 728 CB PRO A 45 9.837 9.848 2.482 1.00 0.00 C ATOM 729 CG PRO A 45 10.423 8.538 1.934 1.00 0.00 C ATOM 730 CD PRO A 45 9.288 7.840 1.167 1.00 0.00 C ATOM 0 HA PRO A 45 7.814 10.625 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.570 10.654 2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.555 9.740 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.270 8.737 1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.789 7.908 2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.626 7.504 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.937 6.958 1.703 1.00 0.00 H new ATOM 738 N LYS A 46 9.221 10.679 -0.688 1.00 0.00 N ATOM 739 CA LYS A 46 9.594 11.591 -1.806 1.00 0.00 C ATOM 740 C LYS A 46 8.388 12.452 -2.212 1.00 0.00 C ATOM 741 O LYS A 46 8.546 13.524 -2.766 1.00 0.00 O ATOM 742 CB LYS A 46 10.062 10.750 -2.995 1.00 0.00 C ATOM 743 CG LYS A 46 11.568 10.504 -2.873 1.00 0.00 C ATOM 744 CD LYS A 46 12.096 9.868 -4.163 1.00 0.00 C ATOM 745 CE LYS A 46 13.545 9.408 -3.964 1.00 0.00 C ATOM 746 NZ LYS A 46 14.417 10.065 -4.977 1.00 0.00 N ATOM 0 H LYS A 46 9.167 9.691 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 46 10.398 12.254 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.527 9.801 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.840 11.264 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.085 11.444 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.772 9.850 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.471 9.020 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.043 10.586 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.883 9.660 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.610 8.324 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.400 9.754 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.098 9.803 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.362 11.097 -4.865 1.00 0.00 H new ATOM 760 N TYR A 47 7.189 11.995 -1.939 1.00 0.00 N ATOM 761 CA TYR A 47 5.975 12.788 -2.309 1.00 0.00 C ATOM 762 C TYR A 47 5.200 13.204 -1.050 1.00 0.00 C ATOM 763 O TYR A 47 4.416 14.133 -1.080 1.00 0.00 O ATOM 764 CB TYR A 47 5.066 11.939 -3.199 1.00 0.00 C ATOM 765 CG TYR A 47 5.700 11.772 -4.557 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.748 10.861 -4.733 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.240 12.528 -5.643 1.00 0.00 C ATOM 768 CE1 TYR A 47 7.335 10.705 -5.995 1.00 0.00 C ATOM 769 CE2 TYR A 47 5.825 12.371 -6.903 1.00 0.00 C ATOM 770 CZ TYR A 47 6.873 11.461 -7.080 1.00 0.00 C ATOM 771 OH TYR A 47 7.449 11.307 -8.324 1.00 0.00 O ATOM 0 H TYR A 47 6.999 11.106 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 47 6.292 13.684 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.900 10.964 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.090 12.414 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.104 10.279 -3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.433 13.233 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.144 10.002 -6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.468 12.952 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 47 7.010 11.905 -8.964 1.00 0.00 H new ATOM 781 N PHE A 48 5.406 12.521 0.051 1.00 0.00 N ATOM 782 CA PHE A 48 4.676 12.874 1.305 1.00 0.00 C ATOM 783 C PHE A 48 5.663 13.440 2.329 1.00 0.00 C ATOM 784 O PHE A 48 6.825 13.643 2.035 1.00 0.00 O ATOM 785 CB PHE A 48 4.014 11.618 1.877 1.00 0.00 C ATOM 786 CG PHE A 48 2.959 11.121 0.918 1.00 0.00 C ATOM 787 CD1 PHE A 48 3.336 10.487 -0.272 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.602 11.295 1.217 1.00 0.00 C ATOM 789 CE1 PHE A 48 2.359 10.026 -1.161 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.624 10.834 0.328 1.00 0.00 C ATOM 791 CZ PHE A 48 1.003 10.200 -0.862 1.00 0.00 C ATOM 0 H PHE A 48 6.049 11.734 0.133 1.00 0.00 H new ATOM 0 HA PHE A 48 3.914 13.621 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.763 10.843 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.565 11.840 2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.382 10.354 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.310 11.785 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.651 9.536 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.422 10.967 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.249 9.845 -1.549 1.00 0.00 H new ATOM 801 N LYS A 49 5.204 13.699 3.528 1.00 0.00 N ATOM 802 CA LYS A 49 6.109 14.257 4.577 1.00 0.00 C ATOM 803 C LYS A 49 5.994 13.425 5.858 1.00 0.00 C ATOM 804 O LYS A 49 6.980 12.927 6.371 1.00 0.00 O ATOM 805 CB LYS A 49 5.712 15.708 4.870 1.00 0.00 C ATOM 806 CG LYS A 49 6.664 16.662 4.142 1.00 0.00 C ATOM 807 CD LYS A 49 7.849 16.993 5.052 1.00 0.00 C ATOM 808 CE LYS A 49 8.885 17.799 4.268 1.00 0.00 C ATOM 809 NZ LYS A 49 9.647 18.674 5.204 1.00 0.00 N ATOM 0 H LYS A 49 4.240 13.548 3.825 1.00 0.00 H new ATOM 0 HA LYS A 49 7.139 14.224 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.686 15.886 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.746 15.895 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.018 16.205 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.138 17.576 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.509 17.562 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.298 16.075 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.566 17.126 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.391 18.405 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.352 19.222 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.992 19.325 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.130 18.086 5.913 1.00 0.00 H new ATOM 823 N HIS A 50 4.802 13.277 6.383 1.00 0.00 N ATOM 824 CA HIS A 50 4.625 12.487 7.637 1.00 0.00 C ATOM 825 C HIS A 50 3.701 11.292 7.380 1.00 0.00 C ATOM 826 O HIS A 50 2.894 10.931 8.218 1.00 0.00 O ATOM 827 CB HIS A 50 4.015 13.384 8.717 1.00 0.00 C ATOM 828 CG HIS A 50 5.002 14.457 9.096 1.00 0.00 C ATOM 829 ND1 HIS A 50 5.960 14.266 10.080 1.00 0.00 N ATOM 830 CD2 HIS A 50 5.191 15.735 8.632 1.00 0.00 C ATOM 831 CE1 HIS A 50 6.675 15.402 10.175 1.00 0.00 C ATOM 832 NE2 HIS A 50 6.248 16.330 9.314 1.00 0.00 N ATOM 0 H HIS A 50 3.944 13.670 5.995 1.00 0.00 H new ATOM 0 HA HIS A 50 5.595 12.118 7.969 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.093 13.836 8.351 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.753 12.790 9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.608 16.207 7.855 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.494 15.546 10.864 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.617 17.272 9.184 1.00 0.00 H new ATOM 840 N SER A 51 3.818 10.674 6.232 1.00 0.00 N ATOM 841 CA SER A 51 2.954 9.496 5.920 1.00 0.00 C ATOM 842 C SER A 51 3.822 8.238 5.843 1.00 0.00 C ATOM 843 O SER A 51 4.864 8.231 5.215 1.00 0.00 O ATOM 844 CB SER A 51 2.253 9.714 4.579 1.00 0.00 C ATOM 845 OG SER A 51 1.154 10.597 4.763 1.00 0.00 O ATOM 0 H SER A 51 4.475 10.935 5.497 1.00 0.00 H new ATOM 0 HA SER A 51 2.205 9.377 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.952 10.130 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.906 8.762 4.177 1.00 0.00 H new ATOM 0 HG SER A 51 0.703 10.741 3.905 1.00 0.00 H new ATOM 851 N ASN A 52 3.400 7.173 6.480 1.00 0.00 N ATOM 852 CA ASN A 52 4.198 5.911 6.453 1.00 0.00 C ATOM 853 C ASN A 52 3.444 4.845 5.648 1.00 0.00 C ATOM 854 O ASN A 52 2.312 5.039 5.254 1.00 0.00 O ATOM 855 CB ASN A 52 4.418 5.419 7.891 1.00 0.00 C ATOM 856 CG ASN A 52 5.910 5.466 8.234 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.655 4.569 7.890 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.379 6.482 8.904 1.00 0.00 N ATOM 0 H ASN A 52 2.535 7.125 7.018 1.00 0.00 H new ATOM 0 HA ASN A 52 5.164 6.097 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.856 6.041 8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.043 4.401 7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.371 6.524 9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.754 7.235 9.193 1.00 0.00 H new ATOM 865 N PHE A 53 4.074 3.721 5.401 1.00 0.00 N ATOM 866 CA PHE A 53 3.419 2.625 4.618 1.00 0.00 C ATOM 867 C PHE A 53 2.046 2.273 5.213 1.00 0.00 C ATOM 868 O PHE A 53 1.112 1.971 4.498 1.00 0.00 O ATOM 869 CB PHE A 53 4.318 1.380 4.649 1.00 0.00 C ATOM 870 CG PHE A 53 4.516 0.919 6.079 1.00 0.00 C ATOM 871 CD1 PHE A 53 5.556 1.448 6.851 1.00 0.00 C ATOM 872 CD2 PHE A 53 3.654 -0.039 6.628 1.00 0.00 C ATOM 873 CE1 PHE A 53 5.734 1.019 8.172 1.00 0.00 C ATOM 874 CE2 PHE A 53 3.833 -0.469 7.949 1.00 0.00 C ATOM 875 CZ PHE A 53 4.873 0.061 8.720 1.00 0.00 C ATOM 0 H PHE A 53 5.023 3.514 5.712 1.00 0.00 H new ATOM 0 HA PHE A 53 3.276 2.965 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.867 0.581 4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.282 1.606 4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.221 2.187 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.851 -0.446 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.536 1.428 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.169 -1.209 8.372 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.012 -0.269 9.739 1.00 0.00 H new ATOM 885 N ALA A 54 1.934 2.291 6.514 1.00 0.00 N ATOM 886 CA ALA A 54 0.638 1.939 7.171 1.00 0.00 C ATOM 887 C ALA A 54 -0.444 2.960 6.797 1.00 0.00 C ATOM 888 O ALA A 54 -1.588 2.604 6.571 1.00 0.00 O ATOM 889 CB ALA A 54 0.824 1.928 8.690 1.00 0.00 C ATOM 0 H ALA A 54 2.688 2.536 7.155 1.00 0.00 H new ATOM 0 HA ALA A 54 0.326 0.952 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.120 1.672 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.580 1.190 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.145 2.915 9.024 1.00 0.00 H new ATOM 895 N SER A 55 -0.098 4.220 6.738 1.00 0.00 N ATOM 896 CA SER A 55 -1.110 5.264 6.392 1.00 0.00 C ATOM 897 C SER A 55 -1.500 5.145 4.918 1.00 0.00 C ATOM 898 O SER A 55 -2.625 5.419 4.544 1.00 0.00 O ATOM 899 CB SER A 55 -0.521 6.651 6.649 1.00 0.00 C ATOM 900 OG SER A 55 -1.510 7.638 6.381 1.00 0.00 O ATOM 0 H SER A 55 0.843 4.572 6.915 1.00 0.00 H new ATOM 0 HA SER A 55 -1.996 5.120 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.183 6.730 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.351 6.812 6.015 1.00 0.00 H new ATOM 0 HG SER A 55 -1.136 8.529 6.546 1.00 0.00 H new ATOM 906 N PHE A 56 -0.580 4.744 4.079 1.00 0.00 N ATOM 907 CA PHE A 56 -0.893 4.614 2.625 1.00 0.00 C ATOM 908 C PHE A 56 -1.899 3.480 2.415 1.00 0.00 C ATOM 909 O PHE A 56 -2.853 3.619 1.673 1.00 0.00 O ATOM 910 CB PHE A 56 0.389 4.312 1.850 1.00 0.00 C ATOM 911 CG PHE A 56 0.152 4.586 0.386 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.595 3.684 -0.379 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.674 5.742 -0.205 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.822 3.937 -1.736 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.448 5.995 -1.563 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.299 5.092 -2.329 1.00 0.00 C ATOM 0 H PHE A 56 0.376 4.501 4.339 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.322 5.548 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.208 4.929 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.682 3.272 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.997 2.792 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.251 6.438 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.401 3.241 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.850 6.887 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.472 5.287 -3.377 1.00 0.00 H new ATOM 926 N VAL A 57 -1.694 2.364 3.065 1.00 0.00 N ATOM 927 CA VAL A 57 -2.638 1.219 2.912 1.00 0.00 C ATOM 928 C VAL A 57 -3.997 1.616 3.493 1.00 0.00 C ATOM 929 O VAL A 57 -5.030 1.170 3.032 1.00 0.00 O ATOM 930 CB VAL A 57 -2.092 -0.004 3.656 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.007 -1.207 3.412 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.688 -0.329 3.141 1.00 0.00 C ATOM 0 H VAL A 57 -0.911 2.197 3.697 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.748 0.970 1.857 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.052 0.213 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.616 -2.075 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.010 -0.981 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.048 -1.422 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.299 -1.199 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.733 -0.543 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.031 0.524 3.313 1.00 0.00 H new ATOM 942 N ARG A 58 -4.000 2.455 4.499 1.00 0.00 N ATOM 943 CA ARG A 58 -5.289 2.892 5.110 1.00 0.00 C ATOM 944 C ARG A 58 -6.103 3.668 4.073 1.00 0.00 C ATOM 945 O ARG A 58 -7.297 3.473 3.937 1.00 0.00 O ATOM 946 CB ARG A 58 -5.005 3.794 6.311 1.00 0.00 C ATOM 947 CG ARG A 58 -4.933 2.943 7.579 1.00 0.00 C ATOM 948 CD ARG A 58 -6.335 2.794 8.173 1.00 0.00 C ATOM 949 NE ARG A 58 -6.760 4.092 8.765 1.00 0.00 N ATOM 950 CZ ARG A 58 -6.297 4.460 9.929 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.321 3.626 10.931 1.00 0.00 N ATOM 952 NH2 ARG A 58 -5.809 5.660 10.089 1.00 0.00 N ATOM 0 H ARG A 58 -3.163 2.856 4.923 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.852 2.018 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.066 4.328 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.788 4.546 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.518 1.962 7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.266 3.408 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.039 2.486 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.338 2.015 8.936 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.412 4.693 8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.701 2.688 10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.960 3.912 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.789 6.311 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.448 5.946 10.999 1.00 0.00 H new ATOM 966 N GLN A 59 -5.461 4.540 3.335 1.00 0.00 N ATOM 967 CA GLN A 59 -6.188 5.328 2.298 1.00 0.00 C ATOM 968 C GLN A 59 -6.725 4.372 1.230 1.00 0.00 C ATOM 969 O GLN A 59 -7.842 4.505 0.767 1.00 0.00 O ATOM 970 CB GLN A 59 -5.227 6.331 1.647 1.00 0.00 C ATOM 971 CG GLN A 59 -4.891 7.457 2.632 1.00 0.00 C ATOM 972 CD GLN A 59 -6.164 8.218 3.011 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.411 8.473 4.173 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.989 8.593 2.072 1.00 0.00 N ATOM 0 H GLN A 59 -4.463 4.739 3.408 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.014 5.868 2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.313 5.823 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.679 6.748 0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.425 7.042 3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.169 8.140 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.782 8.379 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.841 9.100 2.314 1.00 0.00 H new ATOM 983 N LEU A 60 -5.931 3.407 0.844 1.00 0.00 N ATOM 984 CA LEU A 60 -6.375 2.425 -0.189 1.00 0.00 C ATOM 985 C LEU A 60 -7.595 1.652 0.328 1.00 0.00 C ATOM 986 O LEU A 60 -8.435 1.216 -0.436 1.00 0.00 O ATOM 987 CB LEU A 60 -5.231 1.447 -0.471 1.00 0.00 C ATOM 988 CG LEU A 60 -4.110 2.168 -1.225 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.919 1.224 -1.399 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.616 2.603 -2.604 1.00 0.00 C ATOM 0 H LEU A 60 -4.988 3.257 1.203 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.645 2.951 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.849 1.039 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.596 0.605 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.801 3.045 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.122 1.739 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.555 0.913 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.230 0.346 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.817 3.116 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.928 1.726 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.464 3.277 -2.484 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.689 1.480 1.620 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.842 0.738 2.213 1.00 0.00 C ATOM 1004 C ASN A 61 -10.124 1.569 2.090 1.00 0.00 C ATOM 1005 O ASN A 61 -11.160 1.075 1.686 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.568 0.485 3.697 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.708 -0.767 3.863 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -6.587 -0.819 3.395 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.190 -1.787 4.516 1.00 0.00 N ATOM 0 H ASN A 61 -7.009 1.825 2.297 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.966 -0.205 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.061 1.345 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.509 0.364 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.627 -2.629 4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.130 -1.743 4.909 1.00 0.00 H new ATOM 1016 N MET A 62 -10.060 2.822 2.461 1.00 0.00 N ATOM 1017 CA MET A 62 -11.270 3.697 2.402 1.00 0.00 C ATOM 1018 C MET A 62 -11.809 3.801 0.967 1.00 0.00 C ATOM 1019 O MET A 62 -12.939 4.204 0.762 1.00 0.00 O ATOM 1020 CB MET A 62 -10.904 5.096 2.914 1.00 0.00 C ATOM 1021 CG MET A 62 -11.291 5.217 4.390 1.00 0.00 C ATOM 1022 SD MET A 62 -10.913 6.885 4.982 1.00 0.00 S ATOM 1023 CE MET A 62 -10.311 6.413 6.623 1.00 0.00 C ATOM 0 H MET A 62 -9.216 3.280 2.805 1.00 0.00 H new ATOM 0 HA MET A 62 -12.047 3.258 3.027 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.835 5.271 2.792 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.421 5.856 2.328 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.353 5.007 4.516 1.00 0.00 H new ATOM 0 HG3 MET A 62 -10.748 4.479 4.980 1.00 0.00 H new ATOM 0 HE1 MET A 62 -10.017 7.307 7.174 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.102 5.896 7.166 1.00 0.00 H new ATOM 0 HE3 MET A 62 -9.451 5.752 6.519 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.021 3.459 -0.024 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.509 3.561 -1.434 1.00 0.00 C ATOM 1035 C TYR A 63 -11.887 2.178 -1.972 1.00 0.00 C ATOM 1036 O TYR A 63 -12.703 2.059 -2.867 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.416 4.180 -2.305 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.136 5.580 -1.813 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.173 6.518 -1.755 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.845 5.938 -1.407 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.921 7.813 -1.291 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.593 7.234 -0.941 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.631 8.172 -0.884 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.381 9.449 -0.426 1.00 0.00 O ATOM 0 H TYR A 63 -10.066 3.116 0.082 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.396 4.194 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.510 3.576 -2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.732 4.203 -3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.169 6.242 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.044 5.215 -1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.722 8.536 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.598 7.510 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.653 9.425 0.229 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.309 1.135 -1.435 1.00 0.00 N ATOM 1055 CA GLY A 64 -11.643 -0.239 -1.917 1.00 0.00 C ATOM 1056 C GLY A 64 -10.493 -0.782 -2.767 1.00 0.00 C ATOM 1057 O GLY A 64 -10.604 -0.910 -3.972 1.00 0.00 O ATOM 0 H GLY A 64 -10.620 1.175 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.823 -0.899 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.562 -0.216 -2.503 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.394 -1.106 -2.141 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.223 -1.649 -2.888 1.00 0.00 C ATOM 1063 C TRP A 65 -7.635 -2.816 -2.096 1.00 0.00 C ATOM 1064 O TRP A 65 -6.902 -2.615 -1.146 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.162 -0.557 -3.033 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.549 0.382 -4.131 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.934 1.666 -3.954 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.589 0.137 -5.567 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -8.206 2.227 -5.189 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -8.009 1.323 -6.214 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -7.305 -0.987 -6.363 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -8.142 1.392 -7.602 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -7.438 -0.922 -7.760 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -7.857 0.266 -8.377 1.00 0.00 C ATOM 0 H TRP A 65 -9.256 -1.017 -1.134 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.537 -1.985 -3.876 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.058 -0.011 -2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.193 -1.005 -3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.016 2.171 -3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.514 3.190 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.982 -1.906 -5.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.463 2.309 -8.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.217 -1.791 -8.362 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.959 0.310 -9.451 1.00 0.00 H new ATOM 1085 N HIS A 66 -7.959 -4.031 -2.465 1.00 0.00 N ATOM 1086 CA HIS A 66 -7.424 -5.204 -1.710 1.00 0.00 C ATOM 1087 C HIS A 66 -7.252 -6.405 -2.635 1.00 0.00 C ATOM 1088 O HIS A 66 -8.198 -6.865 -3.240 1.00 0.00 O ATOM 1089 CB HIS A 66 -8.397 -5.565 -0.591 1.00 0.00 C ATOM 1090 CG HIS A 66 -8.198 -4.620 0.558 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -7.036 -4.611 1.311 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -8.997 -3.640 1.087 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -7.166 -3.653 2.245 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -8.345 -3.030 2.152 1.00 0.00 N ATOM 0 H HIS A 66 -8.567 -4.259 -3.251 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.452 -4.941 -1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.424 -5.506 -0.952 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.232 -6.592 -0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -6.228 -5.220 1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.983 -3.381 0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.411 -3.416 2.980 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.037 -6.911 -2.719 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.700 -8.108 -3.574 1.00 0.00 C ATOM 1104 C LYS A 67 -6.505 -8.134 -4.893 1.00 0.00 C ATOM 1105 O LYS A 67 -6.995 -7.120 -5.356 1.00 0.00 O ATOM 1106 CB LYS A 67 -5.909 -9.404 -2.750 1.00 0.00 C ATOM 1107 CG LYS A 67 -7.392 -9.815 -2.679 1.00 0.00 C ATOM 1108 CD LYS A 67 -7.767 -10.165 -1.234 1.00 0.00 C ATOM 1109 CE LYS A 67 -8.755 -11.334 -1.228 1.00 0.00 C ATOM 1110 NZ LYS A 67 -8.932 -11.831 0.166 1.00 0.00 N ATOM 0 H LYS A 67 -5.237 -6.530 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.652 -8.037 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.330 -10.213 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.526 -9.256 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.022 -9.002 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.573 -10.671 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.873 -10.429 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.210 -9.299 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.714 -11.015 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.388 -12.137 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.603 -12.625 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.016 -12.151 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.301 -11.064 0.764 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.625 -9.288 -5.498 1.00 0.00 N ATOM 1125 CA VAL A 68 -7.380 -9.396 -6.780 1.00 0.00 C ATOM 1126 C VAL A 68 -8.676 -10.181 -6.547 1.00 0.00 C ATOM 1127 O VAL A 68 -9.042 -10.469 -5.423 1.00 0.00 O ATOM 1128 CB VAL A 68 -6.516 -10.123 -7.818 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -5.255 -9.302 -8.091 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -6.113 -11.502 -7.283 1.00 0.00 C ATOM 0 H VAL A 68 -6.230 -10.164 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.625 -8.399 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.086 -10.244 -8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.639 -9.816 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.536 -8.321 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.691 -9.183 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.499 -12.015 -8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.544 -11.383 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.008 -12.091 -7.083 1.00 0.00 H new ATOM 1140 N GLN A 69 -9.369 -10.524 -7.603 1.00 0.00 N ATOM 1141 CA GLN A 69 -10.641 -11.289 -7.456 1.00 0.00 C ATOM 1142 C GLN A 69 -10.416 -12.743 -7.890 1.00 0.00 C ATOM 1143 O GLN A 69 -10.965 -13.201 -8.876 1.00 0.00 O ATOM 1144 CB GLN A 69 -11.722 -10.649 -8.336 1.00 0.00 C ATOM 1145 CG GLN A 69 -11.208 -10.524 -9.777 1.00 0.00 C ATOM 1146 CD GLN A 69 -12.315 -10.918 -10.758 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -12.130 -11.794 -11.579 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -13.467 -10.306 -10.706 1.00 0.00 N ATOM 0 H GLN A 69 -9.106 -10.305 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.962 -11.270 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.628 -11.254 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.986 -9.666 -7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.885 -9.501 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.338 -11.165 -9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.623 -9.570 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.211 -10.564 -11.354 1.00 0.00 H new ATOM 1157 N ASP A 70 -9.608 -13.473 -7.159 1.00 0.00 N ATOM 1158 CA ASP A 70 -9.345 -14.897 -7.527 1.00 0.00 C ATOM 1159 C ASP A 70 -9.416 -15.777 -6.271 1.00 0.00 C ATOM 1160 O ASP A 70 -8.410 -16.210 -5.743 1.00 0.00 O ATOM 1161 CB ASP A 70 -7.957 -15.007 -8.176 1.00 0.00 C ATOM 1162 CG ASP A 70 -8.048 -15.844 -9.455 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -8.103 -17.058 -9.343 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -8.063 -15.256 -10.525 1.00 0.00 O ATOM 0 H ASP A 70 -9.121 -13.144 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.098 -15.238 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.574 -14.013 -8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.255 -15.465 -7.480 1.00 0.00 H new ATOM 1169 N VAL A 71 -10.608 -16.046 -5.797 1.00 0.00 N ATOM 1170 CA VAL A 71 -10.773 -16.901 -4.582 1.00 0.00 C ATOM 1171 C VAL A 71 -10.028 -16.266 -3.385 1.00 0.00 C ATOM 1172 O VAL A 71 -10.542 -15.360 -2.757 1.00 0.00 O ATOM 1173 CB VAL A 71 -10.251 -18.315 -4.891 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -10.383 -19.214 -3.652 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -11.069 -18.904 -6.046 1.00 0.00 C ATOM 0 H VAL A 71 -11.480 -15.707 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.826 -16.973 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.199 -18.260 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.010 -20.211 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.802 -18.791 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.431 -19.278 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.707 -19.907 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.120 -18.953 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.962 -18.271 -6.927 1.00 0.00 H new ATOM 1185 N LYS A 72 -8.831 -16.714 -3.062 1.00 0.00 N ATOM 1186 CA LYS A 72 -8.086 -16.110 -1.910 1.00 0.00 C ATOM 1187 C LYS A 72 -6.650 -15.804 -2.344 1.00 0.00 C ATOM 1188 O LYS A 72 -6.248 -14.657 -2.412 1.00 0.00 O ATOM 1189 CB LYS A 72 -8.065 -17.051 -0.680 1.00 0.00 C ATOM 1190 CG LYS A 72 -8.296 -18.519 -1.075 1.00 0.00 C ATOM 1191 CD LYS A 72 -7.727 -19.429 0.017 1.00 0.00 C ATOM 1192 CE LYS A 72 -7.421 -20.808 -0.571 1.00 0.00 C ATOM 1193 NZ LYS A 72 -7.057 -21.746 0.529 1.00 0.00 N ATOM 0 H LYS A 72 -8.343 -17.468 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.600 -15.194 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.106 -16.959 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.834 -16.740 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.361 -18.710 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.815 -18.731 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.820 -18.991 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.441 -19.522 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.288 -21.185 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.603 -20.736 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.849 -22.684 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.218 -21.387 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.850 -21.822 1.197 1.00 0.00 H new ATOM 1207 N SER A 73 -5.878 -16.819 -2.647 1.00 0.00 N ATOM 1208 CA SER A 73 -4.472 -16.590 -3.087 1.00 0.00 C ATOM 1209 C SER A 73 -4.472 -16.215 -4.570 1.00 0.00 C ATOM 1210 O SER A 73 -3.987 -15.169 -4.954 1.00 0.00 O ATOM 1211 CB SER A 73 -3.658 -17.870 -2.887 1.00 0.00 C ATOM 1212 OG SER A 73 -4.473 -18.997 -3.182 1.00 0.00 O ATOM 0 H SER A 73 -6.164 -17.797 -2.608 1.00 0.00 H new ATOM 0 HA SER A 73 -4.028 -15.786 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.781 -17.862 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.296 -17.928 -1.861 1.00 0.00 H new ATOM 0 HG SER A 73 -3.953 -19.818 -3.056 1.00 0.00 H new ATOM 1218 N GLY A 74 -5.019 -17.066 -5.401 1.00 0.00 N ATOM 1219 CA GLY A 74 -5.064 -16.772 -6.861 1.00 0.00 C ATOM 1220 C GLY A 74 -3.785 -17.281 -7.526 1.00 0.00 C ATOM 1221 O GLY A 74 -3.806 -18.232 -8.286 1.00 0.00 O ATOM 0 H GLY A 74 -5.438 -17.955 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.935 -17.249 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.168 -15.699 -7.023 1.00 0.00 H new ATOM 1225 N SER A 75 -2.673 -16.654 -7.244 1.00 0.00 N ATOM 1226 CA SER A 75 -1.383 -17.091 -7.854 1.00 0.00 C ATOM 1227 C SER A 75 -0.221 -16.686 -6.938 1.00 0.00 C ATOM 1228 O SER A 75 0.659 -15.937 -7.323 1.00 0.00 O ATOM 1229 CB SER A 75 -1.220 -16.433 -9.226 1.00 0.00 C ATOM 1230 OG SER A 75 -1.912 -15.191 -9.240 1.00 0.00 O ATOM 0 H SER A 75 -2.603 -15.854 -6.615 1.00 0.00 H new ATOM 0 HA SER A 75 -1.383 -18.174 -7.974 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.163 -16.275 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.611 -17.088 -10.004 1.00 0.00 H new ATOM 0 HG SER A 75 -1.807 -14.768 -10.118 1.00 0.00 H new ATOM 1236 N MET A 76 -0.218 -17.179 -5.726 1.00 0.00 N ATOM 1237 CA MET A 76 0.877 -16.835 -4.772 1.00 0.00 C ATOM 1238 C MET A 76 0.976 -17.925 -3.700 1.00 0.00 C ATOM 1239 O MET A 76 0.578 -17.734 -2.566 1.00 0.00 O ATOM 1240 CB MET A 76 0.583 -15.482 -4.112 1.00 0.00 C ATOM 1241 CG MET A 76 -0.842 -15.479 -3.547 1.00 0.00 C ATOM 1242 SD MET A 76 -0.903 -14.454 -2.054 1.00 0.00 S ATOM 1243 CE MET A 76 -1.771 -13.042 -2.782 1.00 0.00 C ATOM 0 H MET A 76 -0.930 -17.808 -5.355 1.00 0.00 H new ATOM 0 HA MET A 76 1.822 -16.769 -5.311 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.301 -15.293 -3.314 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.697 -14.679 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.539 -15.095 -4.292 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.154 -16.497 -3.314 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.918 -12.274 -2.022 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.179 -12.634 -3.601 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.740 -13.367 -3.161 1.00 0.00 H new ATOM 1253 N LEU A 77 1.502 -19.069 -4.057 1.00 0.00 N ATOM 1254 CA LEU A 77 1.631 -20.183 -3.073 1.00 0.00 C ATOM 1255 C LEU A 77 2.574 -19.763 -1.943 1.00 0.00 C ATOM 1256 O LEU A 77 2.271 -19.930 -0.777 1.00 0.00 O ATOM 1257 CB LEU A 77 2.195 -21.420 -3.775 1.00 0.00 C ATOM 1258 CG LEU A 77 1.044 -22.289 -4.279 1.00 0.00 C ATOM 1259 CD1 LEU A 77 0.525 -21.734 -5.607 1.00 0.00 C ATOM 1260 CD2 LEU A 77 1.542 -23.721 -4.486 1.00 0.00 C ATOM 0 H LEU A 77 1.849 -19.279 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 77 0.650 -20.415 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.830 -21.120 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.820 -21.989 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 77 0.238 -22.284 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.296 -22.355 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.171 -20.713 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.330 -21.737 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.722 -24.343 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.348 -23.723 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.911 -24.118 -3.540 1.00 0.00 H new ATOM 1272 N SER A 78 3.714 -19.215 -2.283 1.00 0.00 N ATOM 1273 CA SER A 78 4.680 -18.779 -1.239 1.00 0.00 C ATOM 1274 C SER A 78 4.755 -17.234 -1.253 1.00 0.00 C ATOM 1275 O SER A 78 3.741 -16.578 -1.109 1.00 0.00 O ATOM 1276 CB SER A 78 6.041 -19.427 -1.524 1.00 0.00 C ATOM 1277 OG SER A 78 6.906 -19.210 -0.416 1.00 0.00 O ATOM 0 H SER A 78 4.015 -19.052 -3.244 1.00 0.00 H new ATOM 0 HA SER A 78 4.362 -19.093 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.918 -20.496 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.476 -19.003 -2.429 1.00 0.00 H new ATOM 0 HG SER A 78 7.776 -19.624 -0.594 1.00 0.00 H new ATOM 1283 N ASN A 79 5.922 -16.640 -1.430 1.00 0.00 N ATOM 1284 CA ASN A 79 6.013 -15.145 -1.452 1.00 0.00 C ATOM 1285 C ASN A 79 5.482 -14.573 -0.132 1.00 0.00 C ATOM 1286 O ASN A 79 4.286 -14.476 0.074 1.00 0.00 O ATOM 1287 CB ASN A 79 5.183 -14.603 -2.619 1.00 0.00 C ATOM 1288 CG ASN A 79 5.612 -15.293 -3.915 1.00 0.00 C ATOM 1289 OD1 ASN A 79 4.807 -15.916 -4.580 1.00 0.00 O ATOM 1290 ND2 ASN A 79 6.854 -15.211 -4.303 1.00 0.00 N ATOM 0 H ASN A 79 6.808 -17.129 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 79 7.054 -14.848 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.123 -14.776 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.319 -13.525 -2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.150 -15.670 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.529 -14.688 -3.745 1.00 0.00 H new ATOM 1297 N ASN A 80 6.362 -14.201 0.763 1.00 0.00 N ATOM 1298 CA ASN A 80 5.914 -13.642 2.076 1.00 0.00 C ATOM 1299 C ASN A 80 6.175 -12.132 2.135 1.00 0.00 C ATOM 1300 O ASN A 80 5.558 -11.427 2.912 1.00 0.00 O ATOM 1301 CB ASN A 80 6.665 -14.339 3.215 1.00 0.00 C ATOM 1302 CG ASN A 80 8.169 -14.330 2.934 1.00 0.00 C ATOM 1303 OD1 ASN A 80 8.730 -15.331 2.533 1.00 0.00 O ATOM 1304 ND2 ASN A 80 8.849 -13.235 3.128 1.00 0.00 N ATOM 0 H ASN A 80 7.373 -14.260 0.641 1.00 0.00 H new ATOM 0 HA ASN A 80 4.843 -13.816 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.460 -13.834 4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.313 -15.365 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.852 -13.218 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.378 -12.395 3.464 1.00 0.00 H new ATOM 1311 N ASP A 81 7.077 -11.627 1.327 1.00 0.00 N ATOM 1312 CA ASP A 81 7.364 -10.161 1.351 1.00 0.00 C ATOM 1313 C ASP A 81 7.828 -9.700 -0.035 1.00 0.00 C ATOM 1314 O ASP A 81 8.198 -10.499 -0.875 1.00 0.00 O ATOM 1315 CB ASP A 81 8.460 -9.871 2.382 1.00 0.00 C ATOM 1316 CG ASP A 81 7.818 -9.431 3.701 1.00 0.00 C ATOM 1317 OD1 ASP A 81 6.834 -8.712 3.648 1.00 0.00 O ATOM 1318 OD2 ASP A 81 8.322 -9.819 4.741 1.00 0.00 O ATOM 0 H ASP A 81 7.624 -12.166 0.655 1.00 0.00 H new ATOM 0 HA ASP A 81 6.457 -9.621 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.069 -10.761 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.125 -9.091 2.011 1.00 0.00 H new ATOM 1323 N SER A 82 7.811 -8.412 -0.275 1.00 0.00 N ATOM 1324 CA SER A 82 8.246 -7.876 -1.600 1.00 0.00 C ATOM 1325 C SER A 82 7.333 -8.421 -2.703 1.00 0.00 C ATOM 1326 O SER A 82 7.738 -8.548 -3.844 1.00 0.00 O ATOM 1327 CB SER A 82 9.691 -8.295 -1.880 1.00 0.00 C ATOM 1328 OG SER A 82 10.380 -8.456 -0.647 1.00 0.00 O ATOM 0 H SER A 82 7.512 -7.704 0.396 1.00 0.00 H new ATOM 0 HA SER A 82 8.183 -6.788 -1.582 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.709 -9.227 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.188 -7.542 -2.492 1.00 0.00 H new ATOM 0 HG SER A 82 11.306 -8.726 -0.822 1.00 0.00 H new ATOM 1334 N ARG A 83 6.106 -8.738 -2.374 1.00 0.00 N ATOM 1335 CA ARG A 83 5.162 -9.272 -3.399 1.00 0.00 C ATOM 1336 C ARG A 83 3.728 -8.912 -3.001 1.00 0.00 C ATOM 1337 O ARG A 83 3.066 -9.656 -2.303 1.00 0.00 O ATOM 1338 CB ARG A 83 5.299 -10.795 -3.484 1.00 0.00 C ATOM 1339 CG ARG A 83 6.289 -11.159 -4.594 1.00 0.00 C ATOM 1340 CD ARG A 83 5.716 -10.755 -5.958 1.00 0.00 C ATOM 1341 NE ARG A 83 5.367 -11.978 -6.735 1.00 0.00 N ATOM 1342 CZ ARG A 83 6.208 -12.452 -7.616 1.00 0.00 C ATOM 1343 NH1 ARG A 83 6.708 -11.666 -8.531 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.546 -13.713 -7.583 1.00 0.00 N ATOM 0 H ARG A 83 5.717 -8.649 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 83 5.396 -8.835 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.644 -11.193 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.328 -11.247 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.240 -10.654 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.490 -12.230 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.831 -10.133 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.444 -10.158 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 83 4.473 -12.444 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.442 -10.682 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.364 -12.036 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.154 -14.328 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.202 -14.083 -8.270 1.00 0.00 H new ATOM 1358 N TRP A 84 3.247 -7.776 -3.442 1.00 0.00 N ATOM 1359 CA TRP A 84 1.857 -7.364 -3.092 1.00 0.00 C ATOM 1360 C TRP A 84 1.049 -7.158 -4.373 1.00 0.00 C ATOM 1361 O TRP A 84 1.596 -7.038 -5.453 1.00 0.00 O ATOM 1362 CB TRP A 84 1.883 -6.049 -2.304 1.00 0.00 C ATOM 1363 CG TRP A 84 2.613 -6.238 -1.013 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.894 -6.656 -0.896 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.131 -6.013 0.344 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.228 -6.708 0.445 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.174 -6.320 1.249 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.903 -5.580 0.872 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.005 -6.199 2.629 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.727 -5.457 2.261 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.776 -5.766 3.137 1.00 0.00 C ATOM 0 H TRP A 84 3.759 -7.118 -4.029 1.00 0.00 H new ATOM 0 HA TRP A 84 1.399 -8.144 -2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.368 -5.272 -2.895 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.865 -5.713 -2.109 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.549 -6.908 -1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.141 -6.997 0.797 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.088 -5.340 0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.817 -6.438 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.221 -5.123 2.655 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.636 -5.670 4.204 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.249 -7.111 -4.252 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.120 -6.905 -5.443 1.00 0.00 C ATOM 1384 C GLU A 85 -2.423 -6.264 -4.975 1.00 0.00 C ATOM 1385 O GLU A 85 -2.904 -6.553 -3.894 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.407 -8.253 -6.110 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.922 -9.249 -5.068 1.00 0.00 C ATOM 1388 CD GLU A 85 -2.183 -10.597 -5.742 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -1.426 -10.950 -6.631 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -3.136 -11.254 -5.356 1.00 0.00 O ATOM 0 H GLU A 85 -0.749 -7.208 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.626 -6.258 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.145 -8.127 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.501 -8.638 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.192 -9.365 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.838 -8.874 -4.612 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.991 -5.381 -5.760 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.254 -4.708 -5.325 1.00 0.00 C ATOM 1399 C PHE A 86 -5.232 -4.623 -6.497 1.00 0.00 C ATOM 1400 O PHE A 86 -4.843 -4.654 -7.651 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.956 -3.279 -4.834 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.657 -3.234 -4.052 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.488 -4.030 -2.911 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.621 -2.395 -4.478 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.282 -3.985 -2.200 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.417 -2.350 -3.766 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.248 -3.145 -2.628 1.00 0.00 C ATOM 0 H PHE A 86 -2.639 -5.099 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.690 -5.293 -4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.895 -2.603 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.775 -2.928 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.287 -4.677 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.751 -1.782 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.150 -4.599 -1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.381 -1.702 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.681 -3.111 -2.079 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.499 -4.499 -6.199 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.527 -4.394 -7.272 1.00 0.00 C ATOM 1419 C GLU A 87 -8.793 -3.770 -6.683 1.00 0.00 C ATOM 1420 O GLU A 87 -8.956 -3.707 -5.477 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.846 -5.790 -7.819 1.00 0.00 C ATOM 1422 CG GLU A 87 -8.524 -5.666 -9.190 1.00 0.00 C ATOM 1423 CD GLU A 87 -10.024 -5.934 -9.053 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -10.375 -6.940 -8.459 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -10.797 -5.129 -9.547 1.00 0.00 O ATOM 0 H GLU A 87 -6.867 -4.466 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.152 -3.772 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.930 -6.375 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.498 -6.322 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.359 -4.669 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.081 -6.374 -9.890 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.687 -3.303 -7.518 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.942 -2.676 -7.006 1.00 0.00 C ATOM 1434 C ASN A 88 -11.741 -3.712 -6.210 1.00 0.00 C ATOM 1435 O ASN A 88 -11.365 -4.866 -6.124 1.00 0.00 O ATOM 1436 CB ASN A 88 -11.779 -2.165 -8.189 1.00 0.00 C ATOM 1437 CG ASN A 88 -12.040 -0.665 -8.031 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -11.222 0.149 -8.411 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -13.153 -0.263 -7.482 1.00 0.00 N ATOM 0 H ASN A 88 -9.601 -3.329 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.694 -1.838 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.255 -2.355 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -12.725 -2.705 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.336 0.734 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.840 -0.946 -7.163 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.843 -3.307 -5.628 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.675 -4.262 -4.833 1.00 0.00 C ATOM 1448 C GLU A 89 -14.137 -5.421 -5.727 1.00 0.00 C ATOM 1449 O GLU A 89 -14.434 -6.495 -5.249 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.895 -3.522 -4.264 1.00 0.00 C ATOM 1451 CG GLU A 89 -14.897 -3.623 -2.734 1.00 0.00 C ATOM 1452 CD GLU A 89 -16.207 -3.053 -2.186 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -16.374 -1.846 -2.243 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -17.018 -3.834 -1.718 1.00 0.00 O ATOM 0 H GLU A 89 -13.203 -2.353 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.081 -4.665 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.872 -2.476 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.812 -3.951 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.784 -4.663 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.049 -3.076 -2.322 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.196 -5.207 -7.021 1.00 0.00 N ATOM 1462 CA ARG A 90 -14.633 -6.285 -7.964 1.00 0.00 C ATOM 1463 C ARG A 90 -16.130 -6.582 -7.759 1.00 0.00 C ATOM 1464 O ARG A 90 -16.651 -6.483 -6.665 1.00 0.00 O ATOM 1465 CB ARG A 90 -13.731 -7.544 -7.774 1.00 0.00 C ATOM 1466 CG ARG A 90 -14.426 -8.691 -7.007 1.00 0.00 C ATOM 1467 CD ARG A 90 -15.175 -9.584 -7.997 1.00 0.00 C ATOM 1468 NE ARG A 90 -16.290 -10.276 -7.292 1.00 0.00 N ATOM 1469 CZ ARG A 90 -16.035 -11.258 -6.472 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -15.574 -11.007 -5.277 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -16.242 -12.490 -6.848 1.00 0.00 N ATOM 0 H ARG A 90 -13.957 -4.322 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.514 -5.958 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.419 -7.909 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.826 -7.255 -7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.688 -9.276 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.119 -8.283 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.566 -8.986 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.494 -10.316 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.254 -9.982 -7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.413 -10.043 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.375 -11.775 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.603 -12.684 -7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.043 -13.259 -6.208 1.00 0.00 H new ATOM 1485 N HIS A 91 -16.813 -6.946 -8.814 1.00 0.00 N ATOM 1486 CA HIS A 91 -18.270 -7.258 -8.706 1.00 0.00 C ATOM 1487 C HIS A 91 -18.577 -8.524 -9.508 1.00 0.00 C ATOM 1488 O HIS A 91 -19.273 -9.409 -9.046 1.00 0.00 O ATOM 1489 CB HIS A 91 -19.098 -6.086 -9.254 1.00 0.00 C ATOM 1490 CG HIS A 91 -18.580 -5.677 -10.607 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -17.336 -5.089 -10.775 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -19.128 -5.760 -11.863 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -17.179 -4.840 -12.088 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -18.242 -5.231 -12.797 1.00 0.00 N ATOM 0 H HIS A 91 -16.422 -7.041 -9.751 1.00 0.00 H new ATOM 0 HA HIS A 91 -18.529 -7.416 -7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -20.146 -6.375 -9.329 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.048 -5.242 -8.566 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.099 -6.173 -12.092 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.301 -4.380 -12.517 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -18.375 -5.158 -13.806 1.00 0.00 H new ATOM 1502 N ALA A 92 -18.059 -8.618 -10.709 1.00 0.00 N ATOM 1503 CA ALA A 92 -18.308 -9.827 -11.555 1.00 0.00 C ATOM 1504 C ALA A 92 -19.816 -10.017 -11.757 1.00 0.00 C ATOM 1505 O ALA A 92 -20.211 -11.113 -12.117 1.00 0.00 O ATOM 1506 CB ALA A 92 -17.715 -11.061 -10.865 1.00 0.00 C ATOM 1507 OXT ALA A 92 -20.547 -9.064 -11.544 1.00 0.00 O ATOM 0 H ALA A 92 -17.471 -7.905 -11.141 1.00 0.00 H new ATOM 0 HA ALA A 92 -17.834 -9.694 -12.528 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.895 -11.943 -11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.642 -10.924 -10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -18.186 -11.195 -9.891 1.00 0.00 H new TER 1513 ALA A 92