USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 84 HIS :FLIP no HD1:sc= -4.19 F(o=-6.5,f=-5.6) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 153:sc= -1.39 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot -154:sc= -4.68! USER MOD Set 2.2: A 69 THR OG1 : rot 125:sc= -0.853! USER MOD Single : A 17 ASN :FLIP amide:sc= -0.272 F(o=-0.87,f=-0.27) USER MOD Single : A 22 GLN : amide:sc= -0.345 K(o=-0.35,f=-2.5!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0386 F(o=-1.2,f=-0.039) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 33 ASN :FLIP amide:sc= -6.92! C(o=-10!,f=-6.9!) USER MOD Single : A 36 SER OG : rot -74:sc= -0.639! USER MOD Single : A 37 ASN : amide:sc= -2.72! C(o=-2.7!,f=-9.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.57 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -78:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 THR OG1 : rot -53:sc= 0.395 USER MOD Single : A 73 LYS NZ :NH3+ 137:sc= -0.248 (180deg=-1.3!) USER MOD Single : A 74 SER OG : rot -90:sc= 1.22 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 80 SER OG : rot 180:sc= 0.126 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 20:sc= -0.319! USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.98 USER MOD Single : A 100 TYR OH : rot 42:sc= -4.98! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.7!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0177 F(o=-0.76,f=-0.018) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -18.886 -0.930 15.746 1.00 0.00 N ATOM 2 CA GLY A 9 -18.738 0.549 16.098 1.00 0.00 C ATOM 3 C GLY A 9 -17.378 1.118 16.308 1.00 0.00 C ATOM 4 O GLY A 9 -17.202 2.317 16.395 1.00 0.00 O ATOM 0 HA2 GLY A 9 -19.214 1.124 15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.311 0.728 17.008 1.00 0.00 H new ATOM 7 N ALA A 10 -16.382 0.279 16.393 1.00 0.00 N ATOM 8 CA ALA A 10 -14.996 0.785 16.600 1.00 0.00 C ATOM 9 C ALA A 10 -14.030 0.013 15.698 1.00 0.00 C ATOM 10 O ALA A 10 -14.308 -1.103 15.304 1.00 0.00 O ATOM 11 CB ALA A 10 -14.593 0.589 18.063 1.00 0.00 C ATOM 0 H ALA A 10 -16.468 -0.735 16.328 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.957 1.846 16.351 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.579 0.959 18.214 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.280 1.139 18.706 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.633 -0.471 18.312 1.00 0.00 H new ATOM 17 N PRO A 11 -12.922 0.636 15.398 1.00 0.00 N ATOM 18 CA PRO A 11 -11.858 0.051 14.532 1.00 0.00 C ATOM 19 C PRO A 11 -10.959 -0.892 15.338 1.00 0.00 C ATOM 20 O PRO A 11 -10.429 -0.535 16.372 1.00 0.00 O ATOM 21 CB PRO A 11 -11.082 1.276 14.064 1.00 0.00 C ATOM 22 CG PRO A 11 -11.319 2.377 15.094 1.00 0.00 C ATOM 23 CD PRO A 11 -12.582 2.012 15.883 1.00 0.00 C ATOM 0 HA PRO A 11 -12.252 -0.546 13.710 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.019 1.050 13.980 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.420 1.592 13.077 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.463 2.466 15.763 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.441 3.342 14.602 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.400 2.024 16.958 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.392 2.716 15.690 1.00 0.00 H new ATOM 31 N VAL A 12 -10.781 -2.091 14.864 1.00 0.00 N ATOM 32 CA VAL A 12 -9.916 -3.068 15.585 1.00 0.00 C ATOM 33 C VAL A 12 -8.679 -3.342 14.727 1.00 0.00 C ATOM 34 O VAL A 12 -8.686 -3.069 13.549 1.00 0.00 O ATOM 35 CB VAL A 12 -10.701 -4.365 15.794 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.954 -4.076 16.623 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.108 -4.932 14.436 1.00 0.00 C ATOM 0 H VAL A 12 -11.200 -2.441 14.002 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.612 -2.672 16.554 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.078 -5.088 16.321 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.513 -5.000 16.772 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.664 -3.668 17.591 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.579 -3.354 16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.668 -5.856 14.580 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.732 -4.208 13.912 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.215 -5.137 13.845 1.00 0.00 H new ATOM 47 N PRO A 13 -7.655 -3.871 15.334 1.00 0.00 N ATOM 48 CA PRO A 13 -6.377 -4.193 14.627 1.00 0.00 C ATOM 49 C PRO A 13 -6.562 -5.416 13.726 1.00 0.00 C ATOM 50 O PRO A 13 -7.509 -6.164 13.865 1.00 0.00 O ATOM 51 CB PRO A 13 -5.408 -4.477 15.768 1.00 0.00 C ATOM 52 CG PRO A 13 -6.249 -4.874 16.973 1.00 0.00 C ATOM 53 CD PRO A 13 -7.628 -4.232 16.788 1.00 0.00 C ATOM 0 HA PRO A 13 -6.026 -3.396 13.972 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.718 -5.276 15.499 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.805 -3.597 15.991 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.335 -5.958 17.043 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.785 -4.531 17.897 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.430 -4.924 17.044 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.750 -3.354 17.422 1.00 0.00 H new ATOM 61 N VAL A 14 -5.673 -5.616 12.792 1.00 0.00 N ATOM 62 CA VAL A 14 -5.807 -6.777 11.875 1.00 0.00 C ATOM 63 C VAL A 14 -4.718 -7.810 12.172 1.00 0.00 C ATOM 64 O VAL A 14 -3.584 -7.471 12.449 1.00 0.00 O ATOM 65 CB VAL A 14 -5.661 -6.296 10.441 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.349 -7.281 9.495 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.286 -4.904 10.278 1.00 0.00 C ATOM 0 H VAL A 14 -4.860 -5.023 12.626 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.784 -7.237 12.019 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.600 -6.236 10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.243 -6.933 8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.888 -8.264 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.407 -7.349 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.173 -4.573 9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.345 -4.949 10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.784 -4.200 10.941 1.00 0.00 H new ATOM 77 N ASP A 15 -5.059 -9.068 12.107 1.00 0.00 N ATOM 78 CA ASP A 15 -4.052 -10.135 12.371 1.00 0.00 C ATOM 79 C ASP A 15 -3.362 -10.498 11.050 1.00 0.00 C ATOM 80 O ASP A 15 -3.997 -10.583 10.018 1.00 0.00 O ATOM 81 CB ASP A 15 -4.765 -11.376 12.942 1.00 0.00 C ATOM 82 CG ASP A 15 -6.069 -11.612 12.177 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.117 -11.264 11.009 1.00 0.00 O ATOM 84 OD2 ASP A 15 -6.995 -12.136 12.773 1.00 0.00 O ATOM 0 H ASP A 15 -5.995 -9.404 11.882 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.311 -9.784 13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.119 -12.250 12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.974 -11.233 14.002 1.00 0.00 H new ATOM 89 N GLU A 16 -2.073 -10.710 11.067 1.00 0.00 N ATOM 90 CA GLU A 16 -1.363 -11.063 9.801 1.00 0.00 C ATOM 91 C GLU A 16 -1.454 -12.574 9.557 1.00 0.00 C ATOM 92 O GLU A 16 -0.667 -13.139 8.825 1.00 0.00 O ATOM 93 CB GLU A 16 0.111 -10.642 9.889 1.00 0.00 C ATOM 94 CG GLU A 16 0.678 -10.956 11.277 1.00 0.00 C ATOM 95 CD GLU A 16 0.417 -12.423 11.627 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.934 -13.278 10.927 1.00 0.00 O ATOM 97 OE2 GLU A 16 -0.294 -12.666 12.588 1.00 0.00 O ATOM 0 H GLU A 16 -1.483 -10.655 11.897 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.836 -10.535 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.690 -11.163 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.203 -9.575 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.749 -10.754 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.218 -10.308 12.023 1.00 0.00 H new ATOM 104 N ASN A 17 -2.410 -13.230 10.158 1.00 0.00 N ATOM 105 CA ASN A 17 -2.551 -14.697 9.954 1.00 0.00 C ATOM 106 C ASN A 17 -3.886 -14.997 9.266 1.00 0.00 C ATOM 107 O ASN A 17 -4.322 -16.130 9.206 1.00 0.00 O ATOM 108 CB ASN A 17 -2.504 -15.412 11.300 1.00 0.00 C ATOM 109 CG ASN A 17 -1.073 -15.865 11.590 1.00 0.00 C ATOM 110 OD1 ASN A 17 -0.636 -16.976 11.063 1.00 0.00 O flip ATOM 111 ND2 ASN A 17 -0.345 -15.202 12.303 1.00 0.00 N flip ATOM 0 H ASN A 17 -3.099 -12.811 10.782 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.732 -15.050 9.327 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.852 -14.746 12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.174 -16.272 11.290 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.687 -14.334 12.715 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.608 -15.514 12.490 1.00 0.00 H new ATOM 118 N ASP A 18 -4.543 -13.993 8.745 1.00 0.00 N ATOM 119 CA ASP A 18 -5.848 -14.229 8.063 1.00 0.00 C ATOM 120 C ASP A 18 -5.617 -14.398 6.560 1.00 0.00 C ATOM 121 O ASP A 18 -4.821 -13.703 5.959 1.00 0.00 O ATOM 122 CB ASP A 18 -6.777 -13.036 8.302 1.00 0.00 C ATOM 123 CG ASP A 18 -8.081 -13.246 7.527 1.00 0.00 C ATOM 124 OD1 ASP A 18 -8.473 -14.390 7.368 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.663 -12.260 7.108 1.00 0.00 O ATOM 0 H ASP A 18 -4.232 -13.022 8.763 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.306 -15.132 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.986 -12.931 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.294 -12.114 7.980 1.00 0.00 H new ATOM 130 N GLU A 19 -6.314 -15.314 5.945 1.00 0.00 N ATOM 131 CA GLU A 19 -6.144 -15.527 4.477 1.00 0.00 C ATOM 132 C GLU A 19 -6.894 -14.417 3.724 1.00 0.00 C ATOM 133 O GLU A 19 -6.336 -13.738 2.884 1.00 0.00 O ATOM 134 CB GLU A 19 -6.690 -16.920 4.101 1.00 0.00 C ATOM 135 CG GLU A 19 -7.313 -16.893 2.706 1.00 0.00 C ATOM 136 CD GLU A 19 -6.249 -16.503 1.678 1.00 0.00 C ATOM 137 OE1 GLU A 19 -5.110 -16.897 1.855 1.00 0.00 O ATOM 138 OE2 GLU A 19 -6.595 -15.816 0.729 1.00 0.00 O ATOM 0 H GLU A 19 -6.995 -15.926 6.395 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.090 -15.485 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.884 -17.653 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.435 -17.234 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.728 -17.871 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.138 -16.181 2.679 1.00 0.00 H new ATOM 145 N GLY A 20 -8.153 -14.225 4.017 1.00 0.00 N ATOM 146 CA GLY A 20 -8.926 -13.163 3.318 1.00 0.00 C ATOM 147 C GLY A 20 -8.115 -11.864 3.302 1.00 0.00 C ATOM 148 O GLY A 20 -8.295 -11.020 2.445 1.00 0.00 O ATOM 0 H GLY A 20 -8.677 -14.759 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.152 -13.475 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.880 -13.002 3.821 1.00 0.00 H new ATOM 152 N LEU A 21 -7.221 -11.698 4.237 1.00 0.00 N ATOM 153 CA LEU A 21 -6.399 -10.449 4.264 1.00 0.00 C ATOM 154 C LEU A 21 -5.341 -10.515 3.158 1.00 0.00 C ATOM 155 O LEU A 21 -5.118 -9.558 2.445 1.00 0.00 O ATOM 156 CB LEU A 21 -5.706 -10.308 5.627 1.00 0.00 C ATOM 157 CG LEU A 21 -5.124 -8.898 5.763 1.00 0.00 C ATOM 158 CD1 LEU A 21 -4.634 -8.682 7.197 1.00 0.00 C ATOM 159 CD2 LEU A 21 -3.950 -8.726 4.797 1.00 0.00 C ATOM 0 H LEU A 21 -7.022 -12.367 4.981 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.047 -9.588 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.418 -10.497 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.914 -11.050 5.722 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.898 -8.168 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.220 -7.678 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.469 -8.798 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.864 -9.416 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.540 -7.721 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.177 -9.458 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.296 -8.876 3.774 1.00 0.00 H new ATOM 171 N GLN A 22 -4.689 -11.637 3.009 1.00 0.00 N ATOM 172 CA GLN A 22 -3.654 -11.762 1.954 1.00 0.00 C ATOM 173 C GLN A 22 -4.304 -11.636 0.572 1.00 0.00 C ATOM 174 O GLN A 22 -3.632 -11.484 -0.427 1.00 0.00 O ATOM 175 CB GLN A 22 -2.942 -13.108 2.100 1.00 0.00 C ATOM 176 CG GLN A 22 -1.541 -12.998 1.506 1.00 0.00 C ATOM 177 CD GLN A 22 -1.166 -14.310 0.815 1.00 0.00 C ATOM 178 OE1 GLN A 22 -2.025 -15.050 0.382 1.00 0.00 O ATOM 179 NE2 GLN A 22 0.094 -14.631 0.693 1.00 0.00 N ATOM 0 H GLN A 22 -4.832 -12.472 3.577 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.919 -10.964 2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.884 -13.391 3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.506 -13.889 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.503 -12.176 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.820 -12.771 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.816 -14.009 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.356 -15.503 0.234 1.00 0.00 H new ATOM 188 N ARG A 23 -5.611 -11.691 0.510 1.00 0.00 N ATOM 189 CA ARG A 23 -6.304 -11.569 -0.806 1.00 0.00 C ATOM 190 C ARG A 23 -6.506 -10.087 -1.130 1.00 0.00 C ATOM 191 O ARG A 23 -6.124 -9.618 -2.183 1.00 0.00 O ATOM 192 CB ARG A 23 -7.663 -12.268 -0.732 1.00 0.00 C ATOM 193 CG ARG A 23 -8.384 -12.131 -2.074 1.00 0.00 C ATOM 194 CD ARG A 23 -9.462 -13.210 -2.185 1.00 0.00 C ATOM 195 NE ARG A 23 -9.886 -13.343 -3.606 1.00 0.00 N ATOM 196 CZ ARG A 23 -10.339 -14.483 -4.048 1.00 0.00 C ATOM 197 NH1 ARG A 23 -9.628 -15.570 -3.908 1.00 0.00 N ATOM 198 NH2 ARG A 23 -11.506 -14.538 -4.632 1.00 0.00 N ATOM 0 H ARG A 23 -6.226 -11.815 1.314 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.701 -12.035 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.529 -13.321 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.266 -11.829 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.834 -11.142 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.672 -12.228 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.078 -14.162 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.318 -12.950 -1.562 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.822 -12.542 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.717 -15.528 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.984 -16.461 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.062 -13.690 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.862 -15.429 -4.978 1.00 0.00 H new ATOM 212 N ALA A 24 -7.098 -9.348 -0.234 1.00 0.00 N ATOM 213 CA ALA A 24 -7.312 -7.900 -0.487 1.00 0.00 C ATOM 214 C ALA A 24 -5.950 -7.231 -0.686 1.00 0.00 C ATOM 215 O ALA A 24 -5.849 -6.156 -1.243 1.00 0.00 O ATOM 216 CB ALA A 24 -8.025 -7.271 0.713 1.00 0.00 C ATOM 0 H ALA A 24 -7.443 -9.687 0.664 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.926 -7.763 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.182 -6.208 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.988 -7.760 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.413 -7.397 1.606 1.00 0.00 H new ATOM 222 N LEU A 25 -4.898 -7.873 -0.246 1.00 0.00 N ATOM 223 CA LEU A 25 -3.546 -7.303 -0.414 1.00 0.00 C ATOM 224 C LEU A 25 -3.226 -7.270 -1.912 1.00 0.00 C ATOM 225 O LEU A 25 -2.627 -6.341 -2.415 1.00 0.00 O ATOM 226 CB LEU A 25 -2.558 -8.194 0.357 1.00 0.00 C ATOM 227 CG LEU A 25 -1.159 -8.124 -0.249 1.00 0.00 C ATOM 228 CD1 LEU A 25 -1.137 -9.017 -1.487 1.00 0.00 C ATOM 229 CD2 LEU A 25 -0.811 -6.682 -0.633 1.00 0.00 C ATOM 0 H LEU A 25 -4.928 -8.777 0.226 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.477 -6.288 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.521 -7.881 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.910 -9.225 0.346 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.421 -8.463 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.146 -8.985 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.372 -10.042 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.876 -8.662 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.190 -6.652 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.532 -6.316 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.843 -6.051 0.255 1.00 0.00 H new ATOM 241 N GLN A 26 -3.647 -8.277 -2.629 1.00 0.00 N ATOM 242 CA GLN A 26 -3.396 -8.314 -4.099 1.00 0.00 C ATOM 243 C GLN A 26 -4.041 -7.072 -4.720 1.00 0.00 C ATOM 244 O GLN A 26 -3.421 -6.337 -5.462 1.00 0.00 O ATOM 245 CB GLN A 26 -4.035 -9.597 -4.700 1.00 0.00 C ATOM 246 CG GLN A 26 -3.114 -10.826 -4.545 1.00 0.00 C ATOM 247 CD GLN A 26 -3.500 -11.887 -5.586 1.00 0.00 C ATOM 248 OE1 GLN A 26 -4.610 -11.762 -6.271 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -2.781 -12.848 -5.778 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.156 -9.079 -2.258 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.326 -8.325 -4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.988 -9.793 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.249 -9.435 -5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.073 -10.533 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.204 -11.237 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.916 -12.951 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.043 -13.551 -6.469 1.00 0.00 H new ATOM 258 N PHE A 27 -5.275 -6.826 -4.394 1.00 0.00 N ATOM 259 CA PHE A 27 -5.974 -5.613 -4.934 1.00 0.00 C ATOM 260 C PHE A 27 -5.036 -4.426 -4.831 1.00 0.00 C ATOM 261 O PHE A 27 -4.914 -3.620 -5.732 1.00 0.00 O ATOM 262 CB PHE A 27 -7.209 -5.301 -4.101 1.00 0.00 C ATOM 263 CG PHE A 27 -8.342 -4.846 -4.991 1.00 0.00 C ATOM 264 CD1 PHE A 27 -8.077 -4.036 -6.107 1.00 0.00 C ATOM 265 CD2 PHE A 27 -9.663 -5.200 -4.686 1.00 0.00 C ATOM 266 CE1 PHE A 27 -9.130 -3.587 -6.913 1.00 0.00 C ATOM 267 CE2 PHE A 27 -10.714 -4.741 -5.488 1.00 0.00 C ATOM 268 CZ PHE A 27 -10.447 -3.937 -6.600 1.00 0.00 C ATOM 0 H PHE A 27 -5.838 -7.409 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.263 -5.803 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.511 -6.186 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.977 -4.525 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.060 -3.759 -6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.870 -5.827 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.925 -2.971 -7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.732 -5.008 -5.248 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.260 -3.586 -7.219 1.00 0.00 H new ATOM 278 N ALA A 28 -4.388 -4.315 -3.715 1.00 0.00 N ATOM 279 CA ALA A 28 -3.455 -3.179 -3.493 1.00 0.00 C ATOM 280 C ALA A 28 -2.271 -3.276 -4.460 1.00 0.00 C ATOM 281 O ALA A 28 -1.827 -2.289 -5.009 1.00 0.00 O ATOM 282 CB ALA A 28 -2.957 -3.229 -2.052 1.00 0.00 C ATOM 0 H ALA A 28 -4.463 -4.969 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.972 -2.236 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.271 -2.401 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.805 -3.150 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.439 -4.172 -1.879 1.00 0.00 H new ATOM 288 N MET A 29 -1.757 -4.456 -4.672 1.00 0.00 N ATOM 289 CA MET A 29 -0.601 -4.608 -5.605 1.00 0.00 C ATOM 290 C MET A 29 -0.895 -3.867 -6.911 1.00 0.00 C ATOM 291 O MET A 29 -0.045 -3.197 -7.454 1.00 0.00 O ATOM 292 CB MET A 29 -0.373 -6.092 -5.901 1.00 0.00 C ATOM 293 CG MET A 29 0.882 -6.571 -5.171 1.00 0.00 C ATOM 294 SD MET A 29 2.195 -6.900 -6.374 1.00 0.00 S ATOM 295 CE MET A 29 3.595 -6.656 -5.255 1.00 0.00 C ATOM 0 H MET A 29 -2.085 -5.321 -4.242 1.00 0.00 H new ATOM 0 HA MET A 29 0.293 -4.188 -5.143 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.237 -6.674 -5.581 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.264 -6.247 -6.974 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.210 -5.816 -4.457 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.662 -7.474 -4.602 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.527 -6.813 -5.798 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.572 -5.641 -4.859 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.531 -7.368 -4.432 1.00 0.00 H new ATOM 305 N ALA A 30 -2.093 -3.986 -7.418 1.00 0.00 N ATOM 306 CA ALA A 30 -2.445 -3.292 -8.693 1.00 0.00 C ATOM 307 C ALA A 30 -2.116 -1.802 -8.591 1.00 0.00 C ATOM 308 O ALA A 30 -1.399 -1.262 -9.407 1.00 0.00 O ATOM 309 CB ALA A 30 -3.940 -3.473 -8.967 1.00 0.00 C ATOM 0 H ALA A 30 -2.846 -4.535 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.866 -3.723 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.203 -2.968 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.168 -4.535 -9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.515 -3.044 -8.146 1.00 0.00 H new ATOM 315 N GLU A 31 -2.633 -1.128 -7.603 1.00 0.00 N ATOM 316 CA GLU A 31 -2.330 0.323 -7.472 1.00 0.00 C ATOM 317 C GLU A 31 -0.823 0.516 -7.613 1.00 0.00 C ATOM 318 O GLU A 31 -0.358 1.494 -8.164 1.00 0.00 O ATOM 319 CB GLU A 31 -2.792 0.827 -6.103 1.00 0.00 C ATOM 320 CG GLU A 31 -4.255 0.434 -5.885 1.00 0.00 C ATOM 321 CD GLU A 31 -5.090 0.903 -7.078 1.00 0.00 C ATOM 322 OE1 GLU A 31 -4.890 2.026 -7.513 1.00 0.00 O ATOM 323 OE2 GLU A 31 -5.917 0.132 -7.537 1.00 0.00 O ATOM 0 H GLU A 31 -3.247 -1.515 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.852 0.886 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.168 0.401 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.682 1.910 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.340 -0.647 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.630 0.883 -4.965 1.00 0.00 H new ATOM 330 N TYR A 32 -0.056 -0.420 -7.133 1.00 0.00 N ATOM 331 CA TYR A 32 1.431 -0.297 -7.259 1.00 0.00 C ATOM 332 C TYR A 32 1.821 -0.471 -8.731 1.00 0.00 C ATOM 333 O TYR A 32 2.688 0.209 -9.241 1.00 0.00 O ATOM 334 CB TYR A 32 2.136 -1.362 -6.406 1.00 0.00 C ATOM 335 CG TYR A 32 3.610 -1.027 -6.305 1.00 0.00 C ATOM 336 CD1 TYR A 32 4.057 -0.111 -5.342 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.533 -1.631 -7.171 1.00 0.00 C ATOM 338 CE1 TYR A 32 5.418 0.198 -5.246 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.895 -1.320 -7.073 1.00 0.00 C ATOM 340 CZ TYR A 32 6.337 -0.406 -6.110 1.00 0.00 C ATOM 341 OH TYR A 32 7.679 -0.101 -6.013 1.00 0.00 O ATOM 0 H TYR A 32 -0.386 -1.262 -6.661 1.00 0.00 H new ATOM 0 HA TYR A 32 1.740 0.686 -6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.691 -1.401 -5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.005 -2.348 -6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.349 0.357 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.193 -2.337 -7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.760 0.904 -4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.604 -1.786 -7.741 1.00 0.00 H new ATOM 0 HH TYR A 32 8.179 -0.608 -6.686 1.00 0.00 H new ATOM 351 N ASN A 33 1.188 -1.387 -9.409 1.00 0.00 N ATOM 352 CA ASN A 33 1.516 -1.623 -10.852 1.00 0.00 C ATOM 353 C ASN A 33 1.541 -0.288 -11.610 1.00 0.00 C ATOM 354 O ASN A 33 2.432 -0.031 -12.394 1.00 0.00 O ATOM 355 CB ASN A 33 0.476 -2.549 -11.524 1.00 0.00 C ATOM 356 CG ASN A 33 0.117 -3.737 -10.631 1.00 0.00 C ATOM 357 OD1 ASN A 33 0.833 -4.004 -9.570 1.00 0.00 O flip ATOM 358 ND2 ASN A 33 -0.799 -4.472 -10.939 1.00 0.00 N flip ATOM 0 H ASN A 33 0.455 -1.986 -9.029 1.00 0.00 H new ATOM 0 HA ASN A 33 2.495 -2.102 -10.891 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.425 -1.980 -11.752 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.871 -2.913 -12.472 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.361 -4.268 -11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.007 -5.293 -10.371 1.00 0.00 H new ATOM 365 N ARG A 34 0.565 0.558 -11.402 1.00 0.00 N ATOM 366 CA ARG A 34 0.528 1.848 -12.120 1.00 0.00 C ATOM 367 C ARG A 34 1.622 2.784 -11.601 1.00 0.00 C ATOM 368 O ARG A 34 2.079 3.666 -12.299 1.00 0.00 O ATOM 369 CB ARG A 34 -0.838 2.470 -11.872 1.00 0.00 C ATOM 370 CG ARG A 34 -1.081 2.603 -10.369 1.00 0.00 C ATOM 371 CD ARG A 34 -1.951 3.835 -10.103 1.00 0.00 C ATOM 372 NE ARG A 34 -1.118 5.066 -10.215 1.00 0.00 N ATOM 373 CZ ARG A 34 -1.350 6.082 -9.431 1.00 0.00 C ATOM 374 NH1 ARG A 34 -2.545 6.267 -8.940 1.00 0.00 N ATOM 375 NH2 ARG A 34 -0.388 6.915 -9.140 1.00 0.00 N ATOM 0 H ARG A 34 -0.210 0.401 -10.758 1.00 0.00 H new ATOM 0 HA ARG A 34 0.698 1.690 -13.185 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.893 3.450 -12.347 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.616 1.853 -12.322 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.572 1.708 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.131 2.694 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.773 3.874 -10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.394 3.772 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.367 5.114 -10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.297 5.617 -9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.727 7.061 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.545 6.771 -9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.570 7.710 -8.527 1.00 0.00 H new ATOM 389 N ALA A 35 2.030 2.606 -10.379 1.00 0.00 N ATOM 390 CA ALA A 35 3.086 3.484 -9.790 1.00 0.00 C ATOM 391 C ALA A 35 4.358 3.472 -10.660 1.00 0.00 C ATOM 392 O ALA A 35 5.233 4.298 -10.492 1.00 0.00 O ATOM 393 CB ALA A 35 3.428 2.977 -8.389 1.00 0.00 C ATOM 0 H ALA A 35 1.676 1.883 -9.753 1.00 0.00 H new ATOM 0 HA ALA A 35 2.709 4.506 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.198 3.611 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.535 3.005 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.795 1.952 -8.452 1.00 0.00 H new ATOM 399 N SER A 36 4.484 2.541 -11.576 1.00 0.00 N ATOM 400 CA SER A 36 5.714 2.489 -12.431 1.00 0.00 C ATOM 401 C SER A 36 5.680 3.593 -13.489 1.00 0.00 C ATOM 402 O SER A 36 6.565 3.705 -14.313 1.00 0.00 O ATOM 403 CB SER A 36 5.838 1.104 -13.086 1.00 0.00 C ATOM 404 OG SER A 36 4.550 0.518 -13.194 1.00 0.00 O ATOM 0 H SER A 36 3.791 1.817 -11.768 1.00 0.00 H new ATOM 0 HA SER A 36 6.589 2.655 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.292 1.195 -14.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.492 0.465 -12.492 1.00 0.00 H new ATOM 0 HG SER A 36 4.254 0.214 -12.311 1.00 0.00 H new ATOM 410 N ASN A 37 4.664 4.407 -13.476 1.00 0.00 N ATOM 411 CA ASN A 37 4.571 5.504 -14.488 1.00 0.00 C ATOM 412 C ASN A 37 5.347 6.727 -13.985 1.00 0.00 C ATOM 413 O ASN A 37 5.360 7.765 -14.618 1.00 0.00 O ATOM 414 CB ASN A 37 3.095 5.896 -14.709 1.00 0.00 C ATOM 415 CG ASN A 37 2.402 6.066 -13.346 1.00 0.00 C ATOM 416 OD1 ASN A 37 3.056 6.096 -12.322 1.00 0.00 O ATOM 417 ND2 ASN A 37 1.099 6.196 -13.283 1.00 0.00 N ATOM 0 H ASN A 37 3.892 4.364 -12.811 1.00 0.00 H new ATOM 0 HA ASN A 37 4.995 5.156 -15.430 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.035 6.824 -15.278 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.587 5.129 -15.294 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.642 6.321 -12.380 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.542 6.172 -14.137 1.00 0.00 H new ATOM 424 N ASP A 38 5.990 6.618 -12.854 1.00 0.00 N ATOM 425 CA ASP A 38 6.757 7.762 -12.311 1.00 0.00 C ATOM 426 C ASP A 38 7.962 8.065 -13.203 1.00 0.00 C ATOM 427 O ASP A 38 8.087 7.561 -14.302 1.00 0.00 O ATOM 428 CB ASP A 38 7.231 7.383 -10.911 1.00 0.00 C ATOM 429 CG ASP A 38 8.379 6.376 -11.005 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.319 5.515 -11.867 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.302 6.485 -10.213 1.00 0.00 O ATOM 0 H ASP A 38 6.013 5.774 -12.281 1.00 0.00 H new ATOM 0 HA ASP A 38 6.129 8.652 -12.276 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.560 8.274 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.406 6.955 -10.342 1.00 0.00 H new ATOM 436 N LYS A 39 8.855 8.882 -12.721 1.00 0.00 N ATOM 437 CA LYS A 39 10.078 9.231 -13.505 1.00 0.00 C ATOM 438 C LYS A 39 11.281 8.840 -12.650 1.00 0.00 C ATOM 439 O LYS A 39 12.286 9.522 -12.608 1.00 0.00 O ATOM 440 CB LYS A 39 10.108 10.740 -13.770 1.00 0.00 C ATOM 441 CG LYS A 39 9.369 11.478 -12.650 1.00 0.00 C ATOM 442 CD LYS A 39 7.874 11.529 -12.976 1.00 0.00 C ATOM 443 CE LYS A 39 7.374 12.970 -12.859 1.00 0.00 C ATOM 444 NZ LYS A 39 6.482 13.091 -11.671 1.00 0.00 N ATOM 0 H LYS A 39 8.791 9.330 -11.807 1.00 0.00 H new ATOM 0 HA LYS A 39 10.090 8.711 -14.463 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.139 11.088 -13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.643 10.959 -14.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.528 10.971 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.764 12.488 -12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.698 11.153 -13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.320 10.884 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.218 13.653 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.835 13.254 -13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.142 14.070 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.670 12.450 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.011 12.837 -10.812 1.00 0.00 H new ATOM 458 N TYR A 40 11.150 7.762 -11.922 1.00 0.00 N ATOM 459 CA TYR A 40 12.217 7.316 -11.009 1.00 0.00 C ATOM 460 C TYR A 40 11.918 5.851 -10.674 1.00 0.00 C ATOM 461 O TYR A 40 11.117 5.222 -11.335 1.00 0.00 O ATOM 462 CB TYR A 40 12.105 8.179 -9.738 1.00 0.00 C ATOM 463 CG TYR A 40 12.510 9.662 -10.000 1.00 0.00 C ATOM 464 CD1 TYR A 40 13.870 10.027 -10.196 1.00 0.00 C ATOM 465 CD2 TYR A 40 11.532 10.691 -10.036 1.00 0.00 C ATOM 466 CE1 TYR A 40 14.222 11.364 -10.420 1.00 0.00 C ATOM 467 CE2 TYR A 40 11.907 12.021 -10.262 1.00 0.00 C ATOM 468 CZ TYR A 40 13.245 12.356 -10.453 1.00 0.00 C ATOM 469 OH TYR A 40 13.602 13.670 -10.675 1.00 0.00 O ATOM 0 H TYR A 40 10.323 7.165 -11.930 1.00 0.00 H new ATOM 0 HA TYR A 40 13.216 7.410 -11.436 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.081 8.143 -9.365 1.00 0.00 H new ATOM 0 HB3 TYR A 40 12.743 7.761 -8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.638 9.268 -10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.491 10.446 -9.888 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.259 11.628 -10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.152 12.793 -10.288 1.00 0.00 H new ATOM 0 HH TYR A 40 12.800 14.233 -10.668 1.00 0.00 H new ATOM 479 N SER A 41 12.513 5.295 -9.656 1.00 0.00 N ATOM 480 CA SER A 41 12.164 3.853 -9.346 1.00 0.00 C ATOM 481 C SER A 41 11.351 3.815 -8.056 1.00 0.00 C ATOM 482 O SER A 41 11.609 4.564 -7.148 1.00 0.00 O ATOM 483 CB SER A 41 13.425 2.980 -9.208 1.00 0.00 C ATOM 484 OG SER A 41 14.405 3.709 -8.501 1.00 0.00 O ATOM 0 H SER A 41 13.196 5.739 -9.042 1.00 0.00 H new ATOM 0 HA SER A 41 11.581 3.447 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.189 2.055 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.800 2.699 -10.192 1.00 0.00 H new ATOM 0 HG SER A 41 15.296 3.383 -8.747 1.00 0.00 H new ATOM 490 N SER A 42 10.357 2.970 -7.965 1.00 0.00 N ATOM 491 CA SER A 42 9.542 2.946 -6.712 1.00 0.00 C ATOM 492 C SER A 42 9.917 1.721 -5.856 1.00 0.00 C ATOM 493 O SER A 42 10.376 0.722 -6.370 1.00 0.00 O ATOM 494 CB SER A 42 8.050 2.883 -7.064 1.00 0.00 C ATOM 495 OG SER A 42 7.789 3.713 -8.185 1.00 0.00 O ATOM 0 H SER A 42 10.077 2.307 -8.688 1.00 0.00 H new ATOM 0 HA SER A 42 9.746 3.854 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.761 1.855 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.451 3.206 -6.212 1.00 0.00 H new ATOM 0 HG SER A 42 6.836 3.670 -8.409 1.00 0.00 H new ATOM 501 N ARG A 43 9.714 1.778 -4.555 1.00 0.00 N ATOM 502 CA ARG A 43 10.048 0.608 -3.689 1.00 0.00 C ATOM 503 C ARG A 43 9.429 0.824 -2.302 1.00 0.00 C ATOM 504 O ARG A 43 9.383 1.931 -1.798 1.00 0.00 O ATOM 505 CB ARG A 43 11.570 0.438 -3.540 1.00 0.00 C ATOM 506 CG ARG A 43 12.325 1.537 -4.294 1.00 0.00 C ATOM 507 CD ARG A 43 13.823 1.384 -4.025 1.00 0.00 C ATOM 508 NE ARG A 43 14.445 0.620 -5.144 1.00 0.00 N ATOM 509 CZ ARG A 43 15.238 -0.383 -4.893 1.00 0.00 C ATOM 510 NH1 ARG A 43 16.453 -0.167 -4.468 1.00 0.00 N ATOM 511 NH2 ARG A 43 14.817 -1.606 -5.071 1.00 0.00 N ATOM 0 H ARG A 43 9.332 2.585 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 43 9.647 -0.292 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.840 0.466 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.869 -0.539 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.125 1.466 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.982 2.520 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.291 2.364 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.984 0.865 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 43 14.249 0.883 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.783 0.788 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.072 -0.954 -4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.869 -1.775 -5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.437 -2.392 -4.875 1.00 0.00 H new ATOM 525 N VAL A 44 8.948 -0.224 -1.682 1.00 0.00 N ATOM 526 CA VAL A 44 8.327 -0.073 -0.335 1.00 0.00 C ATOM 527 C VAL A 44 9.410 -0.121 0.748 1.00 0.00 C ATOM 528 O VAL A 44 10.459 -0.707 0.570 1.00 0.00 O ATOM 529 CB VAL A 44 7.313 -1.213 -0.109 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.054 -2.497 0.279 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.353 -0.825 1.018 1.00 0.00 C ATOM 0 H VAL A 44 8.959 -1.175 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 44 7.814 0.887 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 44 6.753 -1.382 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.333 -3.299 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.739 -2.778 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.617 -2.329 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.636 -1.630 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.918 -0.654 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.821 0.086 0.745 1.00 0.00 H new ATOM 541 N VAL A 45 9.153 0.493 1.871 1.00 0.00 N ATOM 542 CA VAL A 45 10.149 0.488 2.976 1.00 0.00 C ATOM 543 C VAL A 45 9.655 -0.450 4.081 1.00 0.00 C ATOM 544 O VAL A 45 10.325 -1.391 4.457 1.00 0.00 O ATOM 545 CB VAL A 45 10.291 1.906 3.535 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.596 2.016 4.325 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.310 2.908 2.378 1.00 0.00 C ATOM 0 H VAL A 45 8.291 1.000 2.070 1.00 0.00 H new ATOM 0 HA VAL A 45 11.116 0.147 2.606 1.00 0.00 H new ATOM 0 HB VAL A 45 9.450 2.123 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.697 3.026 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.584 1.301 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.438 1.799 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.411 3.919 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.152 2.690 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.380 2.830 1.814 1.00 0.00 H new ATOM 557 N ARG A 46 8.481 -0.202 4.599 1.00 0.00 N ATOM 558 CA ARG A 46 7.931 -1.081 5.679 1.00 0.00 C ATOM 559 C ARG A 46 6.567 -0.545 6.130 1.00 0.00 C ATOM 560 O ARG A 46 6.439 0.598 6.525 1.00 0.00 O ATOM 561 CB ARG A 46 8.891 -1.084 6.869 1.00 0.00 C ATOM 562 CG ARG A 46 8.304 -1.938 7.997 1.00 0.00 C ATOM 563 CD ARG A 46 8.574 -3.416 7.713 1.00 0.00 C ATOM 564 NE ARG A 46 9.198 -4.046 8.911 1.00 0.00 N ATOM 565 CZ ARG A 46 8.451 -4.651 9.794 1.00 0.00 C ATOM 566 NH1 ARG A 46 7.234 -4.234 10.015 1.00 0.00 N ATOM 567 NH2 ARG A 46 8.921 -5.674 10.456 1.00 0.00 N ATOM 0 H ARG A 46 7.877 0.572 4.322 1.00 0.00 H new ATOM 0 HA ARG A 46 7.816 -2.096 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.861 -1.479 6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.057 -0.065 7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.748 -1.653 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.231 -1.763 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.643 -3.926 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.233 -3.517 6.851 1.00 0.00 H new ATOM 0 HE ARG A 46 10.209 -4.004 9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.867 -3.435 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.650 -4.707 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.872 -6.000 10.283 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.337 -6.147 11.146 1.00 0.00 H new ATOM 581 N VAL A 47 5.546 -1.360 6.078 1.00 0.00 N ATOM 582 CA VAL A 47 4.194 -0.887 6.508 1.00 0.00 C ATOM 583 C VAL A 47 4.330 -0.100 7.819 1.00 0.00 C ATOM 584 O VAL A 47 5.174 -0.395 8.642 1.00 0.00 O ATOM 585 CB VAL A 47 3.247 -2.092 6.693 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.321 -2.626 8.128 1.00 0.00 C ATOM 587 CG2 VAL A 47 1.820 -1.637 6.392 1.00 0.00 C ATOM 0 H VAL A 47 5.588 -2.328 5.758 1.00 0.00 H new ATOM 0 HA VAL A 47 3.771 -0.236 5.743 1.00 0.00 H new ATOM 0 HB VAL A 47 3.545 -2.892 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.646 -3.475 8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.341 -2.944 8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.029 -1.840 8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.136 -2.477 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.541 -0.836 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.763 -1.273 5.366 1.00 0.00 H new ATOM 597 N ILE A 48 3.510 0.898 8.018 1.00 0.00 N ATOM 598 CA ILE A 48 3.606 1.696 9.274 1.00 0.00 C ATOM 599 C ILE A 48 2.590 1.173 10.291 1.00 0.00 C ATOM 600 O ILE A 48 2.630 1.521 11.452 1.00 0.00 O ATOM 601 CB ILE A 48 3.300 3.161 8.967 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.230 3.657 7.860 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.513 4.000 10.228 1.00 0.00 C ATOM 604 CD1 ILE A 48 3.676 4.959 7.278 1.00 0.00 C ATOM 0 H ILE A 48 2.781 1.194 7.368 1.00 0.00 H new ATOM 0 HA ILE A 48 4.612 1.607 9.684 1.00 0.00 H new ATOM 0 HB ILE A 48 2.265 3.255 8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.232 3.820 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.316 2.903 7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.295 5.046 10.010 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.848 3.647 11.016 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.548 3.906 10.557 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.337 5.315 6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.683 4.780 6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.612 5.711 8.064 1.00 0.00 H new ATOM 616 N SER A 49 1.685 0.337 9.854 1.00 0.00 N ATOM 617 CA SER A 49 0.651 -0.231 10.778 1.00 0.00 C ATOM 618 C SER A 49 -0.560 -0.658 9.949 1.00 0.00 C ATOM 619 O SER A 49 -0.628 -0.407 8.763 1.00 0.00 O ATOM 620 CB SER A 49 0.205 0.809 11.824 1.00 0.00 C ATOM 621 OG SER A 49 -0.960 0.337 12.484 1.00 0.00 O ATOM 0 H SER A 49 1.615 0.019 8.887 1.00 0.00 H new ATOM 0 HA SER A 49 1.081 -1.082 11.306 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.003 0.981 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.002 1.765 11.341 1.00 0.00 H new ATOM 0 HG SER A 49 -1.247 0.994 13.152 1.00 0.00 H new ATOM 627 N ALA A 50 -1.515 -1.301 10.557 1.00 0.00 N ATOM 628 CA ALA A 50 -2.711 -1.737 9.785 1.00 0.00 C ATOM 629 C ALA A 50 -3.937 -1.758 10.699 1.00 0.00 C ATOM 630 O ALA A 50 -3.869 -2.166 11.841 1.00 0.00 O ATOM 631 CB ALA A 50 -2.472 -3.137 9.219 1.00 0.00 C ATOM 0 H ALA A 50 -1.521 -1.543 11.548 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.884 -1.038 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.348 -3.455 8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.603 -3.120 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.295 -3.835 10.037 1.00 0.00 H new ATOM 637 N LYS A 51 -5.061 -1.330 10.197 1.00 0.00 N ATOM 638 CA LYS A 51 -6.304 -1.333 11.028 1.00 0.00 C ATOM 639 C LYS A 51 -7.476 -1.792 10.158 1.00 0.00 C ATOM 640 O LYS A 51 -7.388 -1.803 8.947 1.00 0.00 O ATOM 641 CB LYS A 51 -6.576 0.075 11.567 1.00 0.00 C ATOM 642 CG LYS A 51 -5.621 0.370 12.725 1.00 0.00 C ATOM 643 CD LYS A 51 -5.486 1.884 12.898 1.00 0.00 C ATOM 644 CE LYS A 51 -5.968 2.281 14.295 1.00 0.00 C ATOM 645 NZ LYS A 51 -6.885 3.452 14.190 1.00 0.00 N ATOM 0 H LYS A 51 -5.176 -0.977 9.247 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.181 -2.012 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.443 0.812 10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.609 0.154 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.996 -0.080 13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.645 -0.073 12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.448 2.186 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.072 2.402 12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.483 1.443 14.765 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.116 2.528 14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.213 3.722 15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.379 4.251 13.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.703 3.200 13.600 1.00 0.00 H new ATOM 659 N ARG A 52 -8.570 -2.182 10.754 1.00 0.00 N ATOM 660 CA ARG A 52 -9.723 -2.644 9.938 1.00 0.00 C ATOM 661 C ARG A 52 -11.031 -2.120 10.527 1.00 0.00 C ATOM 662 O ARG A 52 -11.241 -2.115 11.724 1.00 0.00 O ATOM 663 CB ARG A 52 -9.757 -4.178 9.925 1.00 0.00 C ATOM 664 CG ARG A 52 -9.632 -4.697 11.357 1.00 0.00 C ATOM 665 CD ARG A 52 -9.616 -6.226 11.347 1.00 0.00 C ATOM 666 NE ARG A 52 -11.012 -6.738 11.447 1.00 0.00 N ATOM 667 CZ ARG A 52 -11.237 -8.024 11.453 1.00 0.00 C ATOM 668 NH1 ARG A 52 -10.610 -8.800 10.612 1.00 0.00 N ATOM 669 NH2 ARG A 52 -12.085 -8.534 12.304 1.00 0.00 N ATOM 0 H ARG A 52 -8.713 -2.200 11.764 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.610 -2.265 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.687 -4.529 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.943 -4.566 9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.719 -4.316 11.814 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.465 -4.336 11.960 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.149 -6.589 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.020 -6.600 12.179 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.792 -6.084 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.944 -8.402 9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.786 -9.805 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.572 -7.928 12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.261 -9.539 12.309 1.00 0.00 H new ATOM 683 N GLN A 53 -11.913 -1.695 9.673 1.00 0.00 N ATOM 684 CA GLN A 53 -13.233 -1.177 10.122 1.00 0.00 C ATOM 685 C GLN A 53 -14.309 -2.195 9.743 1.00 0.00 C ATOM 686 O GLN A 53 -14.048 -3.152 9.036 1.00 0.00 O ATOM 687 CB GLN A 53 -13.528 0.153 9.423 1.00 0.00 C ATOM 688 CG GLN A 53 -12.924 1.304 10.227 1.00 0.00 C ATOM 689 CD GLN A 53 -12.938 2.577 9.377 1.00 0.00 C ATOM 690 OE1 GLN A 53 -12.081 2.766 8.534 1.00 0.00 O ATOM 691 NE2 GLN A 53 -13.879 3.462 9.559 1.00 0.00 N ATOM 0 H GLN A 53 -11.773 -1.684 8.663 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.223 -1.021 11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.114 0.144 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -14.605 0.292 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.492 1.459 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.903 1.061 10.521 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.598 3.304 10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.896 4.312 8.995 1.00 0.00 H new ATOM 700 N LEU A 54 -15.518 -1.994 10.198 1.00 0.00 N ATOM 701 CA LEU A 54 -16.610 -2.958 9.858 1.00 0.00 C ATOM 702 C LEU A 54 -17.813 -2.186 9.272 1.00 0.00 C ATOM 703 O LEU A 54 -18.258 -1.212 9.845 1.00 0.00 O ATOM 704 CB LEU A 54 -17.053 -3.706 11.133 1.00 0.00 C ATOM 705 CG LEU A 54 -18.213 -4.660 10.819 1.00 0.00 C ATOM 706 CD1 LEU A 54 -19.517 -3.869 10.682 1.00 0.00 C ATOM 707 CD2 LEU A 54 -17.928 -5.409 9.517 1.00 0.00 C ATOM 0 H LEU A 54 -15.797 -1.209 10.787 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.244 -3.676 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.213 -4.267 11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -17.360 -2.989 11.895 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.313 -5.377 11.634 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.336 -4.553 10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.725 -3.346 11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.420 -3.144 9.874 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -18.754 -6.085 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.819 -4.693 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -17.007 -5.983 9.622 1.00 0.00 H new ATOM 719 N VAL A 55 -18.360 -2.611 8.150 1.00 0.00 N ATOM 720 CA VAL A 55 -19.526 -1.909 7.564 1.00 0.00 C ATOM 721 C VAL A 55 -20.159 -2.924 6.622 1.00 0.00 C ATOM 722 O VAL A 55 -20.038 -2.798 5.421 1.00 0.00 O ATOM 723 CB VAL A 55 -19.048 -0.692 6.769 1.00 0.00 C ATOM 724 CG1 VAL A 55 -18.520 0.371 7.735 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.931 -1.118 5.815 1.00 0.00 C ATOM 0 H VAL A 55 -18.037 -3.421 7.621 1.00 0.00 H new ATOM 0 HA VAL A 55 -20.224 -1.556 8.323 1.00 0.00 H new ATOM 0 HB VAL A 55 -19.878 -0.279 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.179 1.239 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -19.316 0.671 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.688 -0.039 8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.588 -0.253 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.100 -1.528 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -18.308 -1.876 5.129 1.00 0.00 H new ATOM 735 N SER A 56 -20.748 -3.984 7.162 1.00 0.00 N ATOM 736 CA SER A 56 -21.298 -5.070 6.310 1.00 0.00 C ATOM 737 C SER A 56 -20.182 -6.103 6.190 1.00 0.00 C ATOM 738 O SER A 56 -20.323 -7.246 6.577 1.00 0.00 O ATOM 739 CB SER A 56 -21.669 -4.528 4.943 1.00 0.00 C ATOM 740 OG SER A 56 -22.673 -5.343 4.356 1.00 0.00 O ATOM 0 H SER A 56 -20.864 -4.129 8.165 1.00 0.00 H new ATOM 0 HA SER A 56 -22.202 -5.503 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.028 -3.503 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.788 -4.502 4.301 1.00 0.00 H new ATOM 0 HG SER A 56 -22.264 -6.158 3.997 1.00 0.00 H new ATOM 746 N GLY A 57 -19.046 -5.678 5.694 1.00 0.00 N ATOM 747 CA GLY A 57 -17.882 -6.576 5.582 1.00 0.00 C ATOM 748 C GLY A 57 -16.699 -5.909 6.296 1.00 0.00 C ATOM 749 O GLY A 57 -16.897 -5.110 7.195 1.00 0.00 O ATOM 0 H GLY A 57 -18.885 -4.728 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.102 -7.544 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.641 -6.759 4.535 1.00 0.00 H new ATOM 753 N ILE A 58 -15.471 -6.195 5.915 1.00 0.00 N ATOM 754 CA ILE A 58 -14.340 -5.523 6.620 1.00 0.00 C ATOM 755 C ILE A 58 -13.632 -4.555 5.668 1.00 0.00 C ATOM 756 O ILE A 58 -13.597 -4.755 4.471 1.00 0.00 O ATOM 757 CB ILE A 58 -13.329 -6.563 7.133 1.00 0.00 C ATOM 758 CG1 ILE A 58 -13.965 -7.956 7.143 1.00 0.00 C ATOM 759 CG2 ILE A 58 -12.903 -6.192 8.554 1.00 0.00 C ATOM 760 CD1 ILE A 58 -12.910 -8.996 7.527 1.00 0.00 C ATOM 0 H ILE A 58 -15.214 -6.843 5.171 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.744 -4.972 7.469 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.461 -6.573 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -14.793 -7.984 7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.377 -8.186 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.186 -6.926 8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.441 -5.205 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.777 -6.180 9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.362 -9.988 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.096 -8.974 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.519 -8.768 8.519 1.00 0.00 H new ATOM 772 N LYS A 59 -13.056 -3.511 6.201 1.00 0.00 N ATOM 773 CA LYS A 59 -12.330 -2.525 5.333 1.00 0.00 C ATOM 774 C LYS A 59 -10.942 -2.279 5.932 1.00 0.00 C ATOM 775 O LYS A 59 -10.812 -1.744 7.006 1.00 0.00 O ATOM 776 CB LYS A 59 -13.110 -1.203 5.261 1.00 0.00 C ATOM 777 CG LYS A 59 -12.369 -0.221 4.352 1.00 0.00 C ATOM 778 CD LYS A 59 -13.384 0.685 3.655 1.00 0.00 C ATOM 779 CE LYS A 59 -14.058 1.585 4.692 1.00 0.00 C ATOM 780 NZ LYS A 59 -15.492 1.773 4.332 1.00 0.00 N ATOM 0 H LYS A 59 -13.054 -3.294 7.198 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.237 -2.924 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.115 -1.382 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.220 -0.779 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.671 0.378 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.781 -0.765 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.887 1.292 2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.132 0.083 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.977 1.139 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.553 2.550 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.950 2.385 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.559 2.216 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.969 0.849 4.313 1.00 0.00 H new ATOM 794 N TYR A 60 -9.898 -2.683 5.265 1.00 0.00 N ATOM 795 CA TYR A 60 -8.541 -2.491 5.846 1.00 0.00 C ATOM 796 C TYR A 60 -8.037 -1.066 5.611 1.00 0.00 C ATOM 797 O TYR A 60 -8.494 -0.360 4.736 1.00 0.00 O ATOM 798 CB TYR A 60 -7.567 -3.480 5.200 1.00 0.00 C ATOM 799 CG TYR A 60 -8.095 -4.885 5.361 1.00 0.00 C ATOM 800 CD1 TYR A 60 -8.808 -5.235 6.513 1.00 0.00 C ATOM 801 CD2 TYR A 60 -7.872 -5.836 4.359 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.300 -6.537 6.664 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.363 -7.139 4.509 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.077 -7.489 5.662 1.00 0.00 C ATOM 805 OH TYR A 60 -9.564 -8.772 5.809 1.00 0.00 O ATOM 0 H TYR A 60 -9.924 -3.134 4.351 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.601 -2.665 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.442 -3.246 4.143 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.584 -3.394 5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.979 -4.500 7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.321 -5.565 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.851 -6.807 7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.191 -7.873 3.736 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.323 -9.306 5.023 1.00 0.00 H new ATOM 815 N ILE A 61 -7.078 -0.661 6.392 1.00 0.00 N ATOM 816 CA ILE A 61 -6.493 0.698 6.241 1.00 0.00 C ATOM 817 C ILE A 61 -5.010 0.614 6.605 1.00 0.00 C ATOM 818 O ILE A 61 -4.654 0.353 7.739 1.00 0.00 O ATOM 819 CB ILE A 61 -7.204 1.688 7.174 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.272 1.109 8.589 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.625 1.949 6.667 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.929 2.124 9.528 1.00 0.00 C ATOM 0 H ILE A 61 -6.669 -1.222 7.139 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.615 1.048 5.216 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.645 2.624 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.842 0.180 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.270 0.867 8.942 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.125 2.652 7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.581 2.369 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.181 1.012 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.977 1.710 10.535 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.341 3.042 9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.938 2.344 9.178 1.00 0.00 H new ATOM 834 N LEU A 62 -4.139 0.802 5.648 1.00 0.00 N ATOM 835 CA LEU A 62 -2.690 0.703 5.944 1.00 0.00 C ATOM 836 C LEU A 62 -1.977 1.992 5.535 1.00 0.00 C ATOM 837 O LEU A 62 -2.274 2.580 4.508 1.00 0.00 O ATOM 838 CB LEU A 62 -2.104 -0.500 5.177 1.00 0.00 C ATOM 839 CG LEU A 62 -1.795 -0.136 3.719 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.670 -1.037 3.204 1.00 0.00 C ATOM 841 CD2 LEU A 62 -3.045 -0.355 2.868 1.00 0.00 C ATOM 0 H LEU A 62 -4.373 1.019 4.679 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.544 0.559 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.193 -0.839 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.810 -1.330 5.205 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.489 0.908 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.446 -0.783 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.221 -0.891 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.983 -2.079 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.829 -0.097 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.346 -1.401 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.852 0.277 3.238 1.00 0.00 H new ATOM 853 N GLN A 63 -1.019 2.408 6.326 1.00 0.00 N ATOM 854 CA GLN A 63 -0.232 3.634 6.009 1.00 0.00 C ATOM 855 C GLN A 63 1.170 3.164 5.624 1.00 0.00 C ATOM 856 O GLN A 63 1.974 2.825 6.470 1.00 0.00 O ATOM 857 CB GLN A 63 -0.162 4.547 7.246 1.00 0.00 C ATOM 858 CG GLN A 63 -1.341 4.257 8.178 1.00 0.00 C ATOM 859 CD GLN A 63 -1.168 5.044 9.478 1.00 0.00 C ATOM 860 OE1 GLN A 63 -0.887 6.226 9.452 1.00 0.00 O ATOM 861 NE2 GLN A 63 -1.326 4.438 10.622 1.00 0.00 N ATOM 0 H GLN A 63 -0.747 1.941 7.191 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.692 4.202 5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.778 4.386 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.180 5.592 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.278 4.534 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.396 3.189 8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.562 3.446 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.214 4.956 11.493 1.00 0.00 H new ATOM 870 N VAL A 64 1.450 3.078 4.354 1.00 0.00 N ATOM 871 CA VAL A 64 2.758 2.562 3.913 1.00 0.00 C ATOM 872 C VAL A 64 3.772 3.686 3.711 1.00 0.00 C ATOM 873 O VAL A 64 3.445 4.772 3.295 1.00 0.00 O ATOM 874 CB VAL A 64 2.526 1.860 2.580 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.235 1.040 2.652 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.407 2.909 1.463 1.00 0.00 C ATOM 0 H VAL A 64 0.817 3.348 3.601 1.00 0.00 H new ATOM 0 HA VAL A 64 3.161 1.891 4.672 1.00 0.00 H new ATOM 0 HB VAL A 64 3.365 1.197 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.069 0.538 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.320 0.296 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.395 1.702 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.241 2.408 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.569 3.573 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.327 3.492 1.411 1.00 0.00 H new ATOM 886 N GLU A 65 5.014 3.399 3.943 1.00 0.00 N ATOM 887 CA GLU A 65 6.075 4.411 3.705 1.00 0.00 C ATOM 888 C GLU A 65 6.825 3.953 2.459 1.00 0.00 C ATOM 889 O GLU A 65 7.665 3.078 2.520 1.00 0.00 O ATOM 890 CB GLU A 65 7.026 4.469 4.903 1.00 0.00 C ATOM 891 CG GLU A 65 8.213 5.379 4.569 1.00 0.00 C ATOM 892 CD GLU A 65 7.700 6.759 4.158 1.00 0.00 C ATOM 893 OE1 GLU A 65 7.011 7.377 4.954 1.00 0.00 O ATOM 894 OE2 GLU A 65 8.006 7.178 3.053 1.00 0.00 O ATOM 0 H GLU A 65 5.346 2.499 4.291 1.00 0.00 H new ATOM 0 HA GLU A 65 5.654 5.408 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.500 4.846 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.380 3.468 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.871 5.467 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.802 4.944 3.762 1.00 0.00 H new ATOM 901 N ILE A 66 6.503 4.499 1.319 1.00 0.00 N ATOM 902 CA ILE A 66 7.182 4.034 0.078 1.00 0.00 C ATOM 903 C ILE A 66 8.121 5.118 -0.462 1.00 0.00 C ATOM 904 O ILE A 66 7.782 6.284 -0.497 1.00 0.00 O ATOM 905 CB ILE A 66 6.134 3.674 -0.989 1.00 0.00 C ATOM 906 CG1 ILE A 66 5.023 4.729 -1.033 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.518 2.312 -0.656 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.860 4.204 -1.882 1.00 0.00 C ATOM 0 H ILE A 66 5.809 5.236 1.193 1.00 0.00 H new ATOM 0 HA ILE A 66 7.772 3.150 0.317 1.00 0.00 H new ATOM 0 HB ILE A 66 6.625 3.638 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.679 4.954 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.405 5.659 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.775 2.054 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.300 1.553 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.040 2.358 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.068 4.952 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.211 4.001 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.473 3.285 -1.441 1.00 0.00 H new ATOM 920 N GLY A 67 9.300 4.739 -0.891 1.00 0.00 N ATOM 921 CA GLY A 67 10.253 5.742 -1.434 1.00 0.00 C ATOM 922 C GLY A 67 10.657 5.327 -2.852 1.00 0.00 C ATOM 923 O GLY A 67 10.289 4.266 -3.327 1.00 0.00 O ATOM 0 H GLY A 67 9.639 3.777 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.793 6.730 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.134 5.809 -0.796 1.00 0.00 H new ATOM 927 N ARG A 68 11.404 6.152 -3.536 1.00 0.00 N ATOM 928 CA ARG A 68 11.813 5.797 -4.923 1.00 0.00 C ATOM 929 C ARG A 68 13.329 6.004 -5.089 1.00 0.00 C ATOM 930 O ARG A 68 13.899 6.857 -4.444 1.00 0.00 O ATOM 931 CB ARG A 68 11.068 6.703 -5.908 1.00 0.00 C ATOM 932 CG ARG A 68 9.621 6.225 -6.050 1.00 0.00 C ATOM 933 CD ARG A 68 8.681 7.433 -6.039 1.00 0.00 C ATOM 934 NE ARG A 68 7.282 6.976 -6.280 1.00 0.00 N ATOM 935 CZ ARG A 68 6.321 7.849 -6.415 1.00 0.00 C ATOM 936 NH1 ARG A 68 6.587 9.048 -6.855 1.00 0.00 N ATOM 937 NH2 ARG A 68 5.095 7.524 -6.109 1.00 0.00 N ATOM 0 H ARG A 68 11.746 7.051 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 68 11.570 4.752 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.088 7.734 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.564 6.688 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.501 5.666 -6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.369 5.547 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.746 7.950 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.979 8.147 -6.807 1.00 0.00 H new ATOM 0 HE ARG A 68 7.076 5.979 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.545 9.303 -7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.836 9.731 -6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.887 6.587 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.345 8.207 -6.215 1.00 0.00 H new ATOM 951 N THR A 69 13.998 5.258 -5.954 1.00 0.00 N ATOM 952 CA THR A 69 15.465 5.475 -6.124 1.00 0.00 C ATOM 953 C THR A 69 15.672 6.481 -7.267 1.00 0.00 C ATOM 954 O THR A 69 14.726 6.822 -7.973 1.00 0.00 O ATOM 955 CB THR A 69 16.190 4.156 -6.467 1.00 0.00 C ATOM 956 OG1 THR A 69 16.502 4.128 -7.851 1.00 0.00 O ATOM 957 CG2 THR A 69 15.328 2.940 -6.104 1.00 0.00 C ATOM 0 H THR A 69 13.592 4.524 -6.535 1.00 0.00 H new ATOM 0 HA THR A 69 15.880 5.853 -5.190 1.00 0.00 H new ATOM 0 HB THR A 69 17.109 4.108 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.464 3.980 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.864 2.025 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.114 2.952 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.392 2.978 -6.662 1.00 0.00 H new ATOM 965 N THR A 70 16.891 6.954 -7.469 1.00 0.00 N ATOM 966 CA THR A 70 17.147 7.944 -8.560 1.00 0.00 C ATOM 967 C THR A 70 17.248 7.248 -9.927 1.00 0.00 C ATOM 968 O THR A 70 18.034 7.643 -10.764 1.00 0.00 O ATOM 969 CB THR A 70 18.469 8.661 -8.270 1.00 0.00 C ATOM 970 OG1 THR A 70 18.583 9.796 -9.119 1.00 0.00 O ATOM 971 CG2 THR A 70 19.641 7.713 -8.524 1.00 0.00 C ATOM 0 H THR A 70 17.712 6.693 -6.922 1.00 0.00 H new ATOM 0 HA THR A 70 16.318 8.651 -8.593 1.00 0.00 H new ATOM 0 HB THR A 70 18.487 8.979 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.457 9.521 -10.051 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.578 8.229 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.553 6.843 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.628 7.390 -9.565 1.00 0.00 H new ATOM 979 N CYS A 71 16.461 6.231 -10.183 1.00 0.00 N ATOM 980 CA CYS A 71 16.550 5.569 -11.531 1.00 0.00 C ATOM 981 C CYS A 71 15.193 5.726 -12.241 1.00 0.00 C ATOM 982 O CYS A 71 14.188 5.295 -11.713 1.00 0.00 O ATOM 983 CB CYS A 71 16.900 4.074 -11.377 1.00 0.00 C ATOM 984 SG CYS A 71 18.177 3.900 -10.101 1.00 0.00 S ATOM 0 H CYS A 71 15.776 5.836 -9.538 1.00 0.00 H new ATOM 0 HA CYS A 71 17.337 6.040 -12.120 1.00 0.00 H new ATOM 0 HB2 CYS A 71 16.012 3.505 -11.102 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.256 3.670 -12.325 1.00 0.00 H new ATOM 989 N PRO A 72 15.179 6.356 -13.404 1.00 0.00 N ATOM 990 CA PRO A 72 13.923 6.602 -14.173 1.00 0.00 C ATOM 991 C PRO A 72 13.567 5.408 -15.046 1.00 0.00 C ATOM 992 O PRO A 72 13.413 5.535 -16.243 1.00 0.00 O ATOM 993 CB PRO A 72 14.267 7.814 -15.013 1.00 0.00 C ATOM 994 CG PRO A 72 15.785 7.849 -15.163 1.00 0.00 C ATOM 995 CD PRO A 72 16.384 6.900 -14.117 1.00 0.00 C ATOM 0 HA PRO A 72 13.054 6.757 -13.534 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.786 7.753 -15.989 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.907 8.726 -14.537 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.076 7.542 -16.168 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.160 8.862 -15.018 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.967 6.106 -14.583 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.051 7.426 -13.434 1.00 0.00 H new ATOM 1003 N LYS A 73 13.420 4.270 -14.420 1.00 0.00 N ATOM 1004 CA LYS A 73 13.053 2.994 -15.127 1.00 0.00 C ATOM 1005 C LYS A 73 13.063 3.163 -16.653 1.00 0.00 C ATOM 1006 O LYS A 73 12.051 3.000 -17.305 1.00 0.00 O ATOM 1007 CB LYS A 73 11.651 2.574 -14.685 1.00 0.00 C ATOM 1008 CG LYS A 73 11.483 2.840 -13.187 1.00 0.00 C ATOM 1009 CD LYS A 73 10.020 2.628 -12.794 1.00 0.00 C ATOM 1010 CE LYS A 73 9.717 1.128 -12.746 1.00 0.00 C ATOM 1011 NZ LYS A 73 10.620 0.468 -11.759 1.00 0.00 N ATOM 0 H LYS A 73 13.542 4.164 -13.413 1.00 0.00 H new ATOM 0 HA LYS A 73 13.792 2.236 -14.867 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.900 3.127 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.494 1.516 -14.897 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.126 2.172 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.791 3.859 -12.951 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.824 3.081 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.364 3.120 -13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.676 0.966 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.855 0.687 -13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.076 -0.212 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.379 -0.032 -12.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.035 1.187 -11.133 1.00 0.00 H new ATOM 1025 N SER A 74 14.190 3.491 -17.231 1.00 0.00 N ATOM 1026 CA SER A 74 14.235 3.669 -18.713 1.00 0.00 C ATOM 1027 C SER A 74 15.322 2.770 -19.308 1.00 0.00 C ATOM 1028 O SER A 74 15.105 1.596 -19.541 1.00 0.00 O ATOM 1029 CB SER A 74 14.536 5.136 -19.039 1.00 0.00 C ATOM 1030 OG SER A 74 15.307 5.706 -17.993 1.00 0.00 O ATOM 0 H SER A 74 15.074 3.642 -16.745 1.00 0.00 H new ATOM 0 HA SER A 74 13.272 3.393 -19.143 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.077 5.206 -19.983 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.606 5.690 -19.163 1.00 0.00 H new ATOM 0 HG SER A 74 14.710 6.099 -17.323 1.00 0.00 H new ATOM 1036 N SER A 75 16.485 3.302 -19.562 1.00 0.00 N ATOM 1037 CA SER A 75 17.579 2.462 -20.149 1.00 0.00 C ATOM 1038 C SER A 75 18.925 2.899 -19.567 1.00 0.00 C ATOM 1039 O SER A 75 18.986 3.593 -18.572 1.00 0.00 O ATOM 1040 CB SER A 75 17.597 2.647 -21.668 1.00 0.00 C ATOM 1041 OG SER A 75 16.842 3.800 -22.013 1.00 0.00 O ATOM 0 H SER A 75 16.730 4.277 -19.391 1.00 0.00 H new ATOM 0 HA SER A 75 17.404 1.413 -19.910 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.623 2.752 -22.020 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.181 1.767 -22.157 1.00 0.00 H new ATOM 0 HG SER A 75 16.854 3.920 -22.986 1.00 0.00 H new ATOM 1047 N GLY A 76 20.005 2.498 -20.180 1.00 0.00 N ATOM 1048 CA GLY A 76 21.345 2.894 -19.662 1.00 0.00 C ATOM 1049 C GLY A 76 21.858 1.827 -18.694 1.00 0.00 C ATOM 1050 O GLY A 76 21.100 1.037 -18.166 1.00 0.00 O ATOM 0 H GLY A 76 20.017 1.914 -21.016 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.044 3.015 -20.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.280 3.857 -19.156 1.00 0.00 H new ATOM 1054 N ASP A 77 23.139 1.799 -18.456 1.00 0.00 N ATOM 1055 CA ASP A 77 23.700 0.784 -17.520 1.00 0.00 C ATOM 1056 C ASP A 77 23.430 1.233 -16.075 1.00 0.00 C ATOM 1057 O ASP A 77 23.431 2.413 -15.783 1.00 0.00 O ATOM 1058 CB ASP A 77 25.215 0.657 -17.741 1.00 0.00 C ATOM 1059 CG ASP A 77 25.568 1.041 -19.182 1.00 0.00 C ATOM 1060 OD1 ASP A 77 24.749 0.805 -20.055 1.00 0.00 O ATOM 1061 OD2 ASP A 77 26.651 1.564 -19.387 1.00 0.00 O ATOM 0 H ASP A 77 23.822 2.434 -18.868 1.00 0.00 H new ATOM 0 HA ASP A 77 23.229 -0.182 -17.702 1.00 0.00 H new ATOM 0 HB2 ASP A 77 25.748 1.302 -17.043 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.536 -0.365 -17.539 1.00 0.00 H new ATOM 1066 N LEU A 78 23.204 0.318 -15.162 1.00 0.00 N ATOM 1067 CA LEU A 78 22.942 0.728 -13.754 1.00 0.00 C ATOM 1068 C LEU A 78 23.084 -0.483 -12.827 1.00 0.00 C ATOM 1069 O LEU A 78 23.417 -1.570 -13.255 1.00 0.00 O ATOM 1070 CB LEU A 78 21.531 1.292 -13.630 1.00 0.00 C ATOM 1071 CG LEU A 78 21.546 2.787 -13.960 1.00 0.00 C ATOM 1072 CD1 LEU A 78 20.853 3.021 -15.304 1.00 0.00 C ATOM 1073 CD2 LEU A 78 20.804 3.556 -12.864 1.00 0.00 C ATOM 0 H LEU A 78 23.190 -0.687 -15.333 1.00 0.00 H new ATOM 0 HA LEU A 78 23.664 1.493 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.857 0.766 -14.307 1.00 0.00 H new ATOM 0 HB3 LEU A 78 21.153 1.136 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 78 22.577 3.136 -14.018 1.00 0.00 H new ATOM 0 HD11 LEU A 78 20.864 4.085 -15.539 1.00 0.00 H new ATOM 0 HD12 LEU A 78 21.379 2.472 -16.085 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.822 2.673 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 78 20.813 4.621 -13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.773 3.206 -12.808 1.00 0.00 H new ATOM 0 HD23 LEU A 78 21.296 3.390 -11.906 1.00 0.00 H new ATOM 1085 N GLN A 79 22.836 -0.301 -11.554 1.00 0.00 N ATOM 1086 CA GLN A 79 22.962 -1.438 -10.597 1.00 0.00 C ATOM 1087 C GLN A 79 22.406 -1.023 -9.240 1.00 0.00 C ATOM 1088 O GLN A 79 21.288 -1.333 -8.882 1.00 0.00 O ATOM 1089 CB GLN A 79 24.433 -1.803 -10.438 1.00 0.00 C ATOM 1090 CG GLN A 79 24.680 -3.207 -10.991 1.00 0.00 C ATOM 1091 CD GLN A 79 26.031 -3.723 -10.487 1.00 0.00 C ATOM 1092 OE1 GLN A 79 27.024 -3.028 -10.557 1.00 0.00 O ATOM 1093 NE2 GLN A 79 26.107 -4.923 -9.979 1.00 0.00 N ATOM 0 H GLN A 79 22.552 0.586 -11.138 1.00 0.00 H new ATOM 0 HA GLN A 79 22.406 -2.295 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.056 -1.080 -10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.716 -1.761 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 79 23.882 -3.879 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.670 -3.187 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 79 25.272 -5.506 -9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.001 -5.278 -9.640 1.00 0.00 H new ATOM 1102 N SER A 80 23.199 -0.328 -8.488 1.00 0.00 N ATOM 1103 CA SER A 80 22.771 0.128 -7.133 1.00 0.00 C ATOM 1104 C SER A 80 21.325 0.641 -7.168 1.00 0.00 C ATOM 1105 O SER A 80 20.408 -0.045 -6.760 1.00 0.00 O ATOM 1106 CB SER A 80 23.697 1.251 -6.666 1.00 0.00 C ATOM 1107 OG SER A 80 24.529 1.657 -7.744 1.00 0.00 O ATOM 0 H SER A 80 24.143 -0.048 -8.753 1.00 0.00 H new ATOM 0 HA SER A 80 22.826 -0.714 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 80 23.109 2.096 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.307 0.910 -5.830 1.00 0.00 H new ATOM 0 HG SER A 80 25.122 2.378 -7.446 1.00 0.00 H new ATOM 1113 N CYS A 81 21.115 1.847 -7.630 1.00 0.00 N ATOM 1114 CA CYS A 81 19.723 2.400 -7.665 1.00 0.00 C ATOM 1115 C CYS A 81 19.210 2.551 -6.223 1.00 0.00 C ATOM 1116 O CYS A 81 18.547 1.674 -5.705 1.00 0.00 O ATOM 1117 CB CYS A 81 18.795 1.446 -8.436 1.00 0.00 C ATOM 1118 SG CYS A 81 18.704 1.951 -10.175 1.00 0.00 S ATOM 0 H CYS A 81 21.841 2.471 -7.983 1.00 0.00 H new ATOM 0 HA CYS A 81 19.731 3.369 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 81 19.167 0.424 -8.363 1.00 0.00 H new ATOM 0 HB3 CYS A 81 17.799 1.455 -7.993 1.00 0.00 H new ATOM 1123 N GLU A 82 19.516 3.643 -5.561 1.00 0.00 N ATOM 1124 CA GLU A 82 19.045 3.812 -4.150 1.00 0.00 C ATOM 1125 C GLU A 82 18.005 4.938 -4.062 1.00 0.00 C ATOM 1126 O GLU A 82 17.945 5.809 -4.917 1.00 0.00 O ATOM 1127 CB GLU A 82 20.241 4.144 -3.248 1.00 0.00 C ATOM 1128 CG GLU A 82 21.486 3.419 -3.771 1.00 0.00 C ATOM 1129 CD GLU A 82 22.375 4.407 -4.530 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.832 5.282 -5.184 1.00 0.00 O ATOM 1131 OE2 GLU A 82 23.585 4.268 -4.445 1.00 0.00 O ATOM 0 H GLU A 82 20.066 4.417 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 82 18.582 2.882 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.412 5.220 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.033 3.840 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.039 2.980 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 82 21.193 2.600 -4.427 1.00 0.00 H new ATOM 1138 N PHE A 83 17.167 4.891 -3.045 1.00 0.00 N ATOM 1139 CA PHE A 83 16.089 5.930 -2.872 1.00 0.00 C ATOM 1140 C PHE A 83 16.559 7.285 -3.414 1.00 0.00 C ATOM 1141 O PHE A 83 15.784 8.052 -3.939 1.00 0.00 O ATOM 1142 CB PHE A 83 15.731 6.102 -1.387 1.00 0.00 C ATOM 1143 CG PHE A 83 14.995 4.872 -0.879 1.00 0.00 C ATOM 1144 CD1 PHE A 83 13.649 4.660 -1.232 1.00 0.00 C ATOM 1145 CD2 PHE A 83 15.644 3.949 -0.047 1.00 0.00 C ATOM 1146 CE1 PHE A 83 12.965 3.535 -0.755 1.00 0.00 C ATOM 1147 CE2 PHE A 83 14.956 2.824 0.427 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.618 2.616 0.076 1.00 0.00 C ATOM 0 H PHE A 83 17.184 4.172 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 83 15.213 5.590 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.638 6.260 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.109 6.987 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.142 5.367 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.676 4.105 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.932 3.376 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 83 15.461 2.115 1.066 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.090 1.749 0.445 1.00 0.00 H new ATOM 1158 N HIS A 84 17.825 7.571 -3.284 1.00 0.00 N ATOM 1159 CA HIS A 84 18.383 8.870 -3.779 1.00 0.00 C ATOM 1160 C HIS A 84 19.653 9.204 -2.993 1.00 0.00 C ATOM 1161 O HIS A 84 19.641 10.033 -2.105 1.00 0.00 O ATOM 1162 CB HIS A 84 17.361 10.002 -3.583 1.00 0.00 C ATOM 1163 CG HIS A 84 18.036 11.334 -3.773 1.00 0.00 C ATOM 1164 ND1 HIS A 84 18.396 12.317 -2.884 1.00 0.00 N flip ATOM 1165 CD2 HIS A 84 18.420 11.796 -5.022 1.00 0.00 C flip ATOM 1166 CE1 HIS A 84 18.995 13.372 -3.568 1.00 0.00 C flip ATOM 1167 NE2 HIS A 84 18.981 13.008 -4.854 1.00 0.00 N flip ATOM 0 H HIS A 84 18.510 6.953 -2.850 1.00 0.00 H new ATOM 0 HA HIS A 84 18.610 8.775 -4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.543 9.893 -4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 84 16.926 9.943 -2.585 1.00 0.00 H new ATOM 0 HD2 HIS A 84 18.292 11.277 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.387 14.287 -3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 84 19.350 13.579 -5.615 1.00 0.00 H new ATOM 1175 N ASP A 85 20.748 8.571 -3.318 1.00 0.00 N ATOM 1176 CA ASP A 85 22.028 8.848 -2.600 1.00 0.00 C ATOM 1177 C ASP A 85 21.760 9.050 -1.101 1.00 0.00 C ATOM 1178 O ASP A 85 21.640 8.100 -0.354 1.00 0.00 O ATOM 1179 CB ASP A 85 22.687 10.105 -3.184 1.00 0.00 C ATOM 1180 CG ASP A 85 21.612 11.057 -3.717 1.00 0.00 C ATOM 1181 OD1 ASP A 85 20.964 10.703 -4.687 1.00 0.00 O ATOM 1182 OD2 ASP A 85 21.455 12.123 -3.143 1.00 0.00 O ATOM 0 H ASP A 85 20.812 7.869 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 85 22.697 7.997 -2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.280 10.605 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.371 9.828 -3.987 1.00 0.00 H new ATOM 1187 N GLU A 86 21.675 10.279 -0.655 1.00 0.00 N ATOM 1188 CA GLU A 86 21.424 10.531 0.801 1.00 0.00 C ATOM 1189 C GLU A 86 20.359 9.557 1.319 1.00 0.00 C ATOM 1190 O GLU A 86 19.400 9.269 0.631 1.00 0.00 O ATOM 1191 CB GLU A 86 20.934 11.970 1.017 1.00 0.00 C ATOM 1192 CG GLU A 86 22.078 12.949 0.739 1.00 0.00 C ATOM 1193 CD GLU A 86 21.663 13.913 -0.374 1.00 0.00 C ATOM 1194 OE1 GLU A 86 20.637 14.556 -0.222 1.00 0.00 O ATOM 1195 OE2 GLU A 86 22.377 13.992 -1.359 1.00 0.00 O ATOM 0 H GLU A 86 21.768 11.116 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 86 22.357 10.383 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.093 12.181 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.576 12.094 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.323 13.505 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.975 12.403 0.447 1.00 0.00 H new ATOM 1202 N PRO A 87 20.564 9.081 2.522 1.00 0.00 N ATOM 1203 CA PRO A 87 19.641 8.120 3.199 1.00 0.00 C ATOM 1204 C PRO A 87 18.492 8.861 3.893 1.00 0.00 C ATOM 1205 O PRO A 87 17.363 8.832 3.447 1.00 0.00 O ATOM 1206 CB PRO A 87 20.544 7.450 4.226 1.00 0.00 C ATOM 1207 CG PRO A 87 21.691 8.416 4.515 1.00 0.00 C ATOM 1208 CD PRO A 87 21.747 9.432 3.369 1.00 0.00 C ATOM 0 HA PRO A 87 19.170 7.419 2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.990 7.226 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.925 6.503 3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.533 8.922 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 87 22.635 7.876 4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.685 10.456 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.678 9.352 2.808 1.00 0.00 H new ATOM 1216 N GLU A 88 18.776 9.520 4.985 1.00 0.00 N ATOM 1217 CA GLU A 88 17.696 10.259 5.718 1.00 0.00 C ATOM 1218 C GLU A 88 16.976 11.208 4.757 1.00 0.00 C ATOM 1219 O GLU A 88 15.868 11.637 5.008 1.00 0.00 O ATOM 1220 CB GLU A 88 18.312 11.068 6.863 1.00 0.00 C ATOM 1221 CG GLU A 88 17.813 10.519 8.201 1.00 0.00 C ATOM 1222 CD GLU A 88 17.336 11.677 9.079 1.00 0.00 C ATOM 1223 OE1 GLU A 88 17.809 12.782 8.877 1.00 0.00 O ATOM 1224 OE2 GLU A 88 16.503 11.439 9.938 1.00 0.00 O ATOM 0 H GLU A 88 19.704 9.581 5.403 1.00 0.00 H new ATOM 0 HA GLU A 88 16.982 9.541 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.400 11.012 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.042 12.120 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.999 9.814 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.611 9.972 8.703 1.00 0.00 H new ATOM 1231 N MET A 89 17.594 11.538 3.655 1.00 0.00 N ATOM 1232 CA MET A 89 16.941 12.454 2.679 1.00 0.00 C ATOM 1233 C MET A 89 16.955 11.804 1.297 1.00 0.00 C ATOM 1234 O MET A 89 17.235 12.439 0.301 1.00 0.00 O ATOM 1235 CB MET A 89 17.706 13.780 2.625 1.00 0.00 C ATOM 1236 CG MET A 89 18.302 14.086 4.002 1.00 0.00 C ATOM 1237 SD MET A 89 18.906 15.792 4.028 1.00 0.00 S ATOM 1238 CE MET A 89 20.432 15.480 4.950 1.00 0.00 C ATOM 0 H MET A 89 18.523 11.212 3.389 1.00 0.00 H new ATOM 0 HA MET A 89 15.913 12.644 2.988 1.00 0.00 H new ATOM 0 HB2 MET A 89 18.499 13.724 1.879 1.00 0.00 H new ATOM 0 HB3 MET A 89 17.037 14.585 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 89 17.549 13.943 4.777 1.00 0.00 H new ATOM 0 HG3 MET A 89 19.117 13.396 4.219 1.00 0.00 H new ATOM 0 HE1 MET A 89 20.974 16.416 5.084 1.00 0.00 H new ATOM 0 HE2 MET A 89 20.188 15.059 5.926 1.00 0.00 H new ATOM 0 HE3 MET A 89 21.054 14.776 4.397 1.00 0.00 H new ATOM 1248 N ALA A 90 16.664 10.533 1.232 1.00 0.00 N ATOM 1249 CA ALA A 90 16.673 9.837 -0.084 1.00 0.00 C ATOM 1250 C ALA A 90 15.301 9.937 -0.746 1.00 0.00 C ATOM 1251 O ALA A 90 14.864 9.042 -1.441 1.00 0.00 O ATOM 1252 CB ALA A 90 17.038 8.367 0.121 1.00 0.00 C ATOM 0 H ALA A 90 16.421 9.949 2.032 1.00 0.00 H new ATOM 0 HA ALA A 90 17.410 10.312 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 90 17.045 7.856 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.026 8.297 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.304 7.898 0.775 1.00 0.00 H new ATOM 1258 N LYS A 91 14.632 11.030 -0.550 1.00 0.00 N ATOM 1259 CA LYS A 91 13.297 11.213 -1.177 1.00 0.00 C ATOM 1260 C LYS A 91 12.370 10.054 -0.798 1.00 0.00 C ATOM 1261 O LYS A 91 12.464 8.968 -1.334 1.00 0.00 O ATOM 1262 CB LYS A 91 13.454 11.256 -2.697 1.00 0.00 C ATOM 1263 CG LYS A 91 13.086 12.651 -3.206 1.00 0.00 C ATOM 1264 CD LYS A 91 13.884 13.703 -2.433 1.00 0.00 C ATOM 1265 CE LYS A 91 14.757 14.494 -3.407 1.00 0.00 C ATOM 1266 NZ LYS A 91 16.187 14.123 -3.207 1.00 0.00 N ATOM 0 H LYS A 91 14.952 11.812 0.021 1.00 0.00 H new ATOM 0 HA LYS A 91 12.863 12.147 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.480 11.014 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.813 10.507 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.299 12.729 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.017 12.825 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.206 14.375 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.506 13.222 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.456 14.285 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.622 15.564 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.711 14.268 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.599 14.718 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.250 13.123 -2.927 1.00 0.00 H new ATOM 1280 N TYR A 92 11.451 10.290 0.096 1.00 0.00 N ATOM 1281 CA TYR A 92 10.483 9.205 0.480 1.00 0.00 C ATOM 1282 C TYR A 92 9.062 9.761 0.438 1.00 0.00 C ATOM 1283 O TYR A 92 8.854 10.953 0.320 1.00 0.00 O ATOM 1284 CB TYR A 92 10.757 8.634 1.889 1.00 0.00 C ATOM 1285 CG TYR A 92 12.159 8.027 1.925 1.00 0.00 C ATOM 1286 CD1 TYR A 92 12.376 6.719 1.455 1.00 0.00 C ATOM 1287 CD2 TYR A 92 13.250 8.766 2.428 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.657 6.159 1.490 1.00 0.00 C ATOM 1289 CE2 TYR A 92 14.529 8.198 2.457 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.731 6.896 1.991 1.00 0.00 C ATOM 1291 OH TYR A 92 15.993 6.340 2.021 1.00 0.00 O ATOM 0 H TYR A 92 11.322 11.179 0.579 1.00 0.00 H new ATOM 0 HA TYR A 92 10.608 8.392 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.671 9.423 2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.014 7.876 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.549 6.144 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.098 9.772 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.816 5.154 1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.362 8.768 2.841 1.00 0.00 H new ATOM 0 HH TYR A 92 16.036 5.592 1.390 1.00 0.00 H new ATOM 1301 N THR A 93 8.075 8.910 0.527 1.00 0.00 N ATOM 1302 CA THR A 93 6.673 9.402 0.483 1.00 0.00 C ATOM 1303 C THR A 93 5.768 8.498 1.323 1.00 0.00 C ATOM 1304 O THR A 93 5.797 7.283 1.211 1.00 0.00 O ATOM 1305 CB THR A 93 6.183 9.406 -0.965 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.158 10.028 -1.790 1.00 0.00 O ATOM 1307 CG2 THR A 93 4.867 10.178 -1.060 1.00 0.00 C ATOM 0 H THR A 93 8.181 7.901 0.628 1.00 0.00 H new ATOM 0 HA THR A 93 6.639 10.413 0.889 1.00 0.00 H new ATOM 0 HB THR A 93 6.024 8.380 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.847 10.030 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.520 10.179 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.119 9.701 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.023 11.205 -0.728 1.00 0.00 H new ATOM 1315 N THR A 94 4.953 9.087 2.156 1.00 0.00 N ATOM 1316 CA THR A 94 4.028 8.283 2.998 1.00 0.00 C ATOM 1317 C THR A 94 2.698 8.135 2.255 1.00 0.00 C ATOM 1318 O THR A 94 2.318 8.991 1.481 1.00 0.00 O ATOM 1319 CB THR A 94 3.805 9.004 4.337 1.00 0.00 C ATOM 1320 OG1 THR A 94 3.237 8.097 5.272 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.857 10.189 4.133 1.00 0.00 C ATOM 0 H THR A 94 4.890 10.096 2.288 1.00 0.00 H new ATOM 0 HA THR A 94 4.451 7.298 3.193 1.00 0.00 H new ATOM 0 HB THR A 94 4.760 9.368 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.096 8.554 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.701 10.698 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.293 10.885 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.901 9.829 3.753 1.00 0.00 H new ATOM 1329 N CYS A 95 1.978 7.069 2.477 1.00 0.00 N ATOM 1330 CA CYS A 95 0.679 6.906 1.772 1.00 0.00 C ATOM 1331 C CYS A 95 -0.186 5.970 2.603 1.00 0.00 C ATOM 1332 O CYS A 95 0.312 5.213 3.404 1.00 0.00 O ATOM 1333 CB CYS A 95 0.905 6.299 0.377 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.687 6.113 -0.465 1.00 0.00 S ATOM 0 H CYS A 95 2.232 6.311 3.111 1.00 0.00 H new ATOM 0 HA CYS A 95 0.193 7.874 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.565 6.940 -0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.397 5.330 0.465 1.00 0.00 H new ATOM 1339 N THR A 96 -1.469 6.018 2.442 1.00 0.00 N ATOM 1340 CA THR A 96 -2.340 5.120 3.248 1.00 0.00 C ATOM 1341 C THR A 96 -3.535 4.677 2.415 1.00 0.00 C ATOM 1342 O THR A 96 -4.371 5.478 2.061 1.00 0.00 O ATOM 1343 CB THR A 96 -2.848 5.879 4.469 1.00 0.00 C ATOM 1344 OG1 THR A 96 -1.749 6.254 5.287 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.808 4.992 5.265 1.00 0.00 C ATOM 0 H THR A 96 -1.956 6.635 1.792 1.00 0.00 H new ATOM 0 HA THR A 96 -1.766 4.247 3.558 1.00 0.00 H new ATOM 0 HB THR A 96 -3.376 6.775 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.076 6.743 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.169 5.537 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.653 4.714 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.286 4.092 5.591 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.648 3.414 2.109 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.828 3.001 1.298 1.00 0.00 C ATOM 1355 C PHE A 97 -5.843 2.235 2.143 1.00 0.00 C ATOM 1356 O PHE A 97 -5.572 1.819 3.250 1.00 0.00 O ATOM 1357 CB PHE A 97 -4.439 2.125 0.107 1.00 0.00 C ATOM 1358 CG PHE A 97 -3.019 1.639 0.187 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.955 2.544 0.244 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.774 0.265 0.167 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.640 2.065 0.288 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -1.464 -0.215 0.207 1.00 0.00 C ATOM 1363 CZ PHE A 97 -0.396 0.682 0.266 1.00 0.00 C ATOM 0 H PHE A 97 -3.000 2.673 2.374 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.270 3.926 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.110 1.268 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.574 2.691 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.146 3.607 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.600 -0.429 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.186 2.759 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.277 -1.279 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.618 0.312 0.295 1.00 0.00 H new ATOM 1373 N VAL A 98 -7.016 2.039 1.600 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.078 1.291 2.330 1.00 0.00 C ATOM 1375 C VAL A 98 -8.611 0.189 1.410 1.00 0.00 C ATOM 1376 O VAL A 98 -8.806 0.404 0.230 1.00 0.00 O ATOM 1377 CB VAL A 98 -9.214 2.248 2.693 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.340 1.470 3.376 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.690 3.327 3.642 1.00 0.00 C ATOM 0 H VAL A 98 -7.285 2.369 0.673 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.673 0.854 3.243 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.596 2.717 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.149 2.153 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.715 0.703 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.959 0.999 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.500 4.009 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.306 2.859 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.889 3.883 3.154 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.841 -0.990 1.921 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.349 -2.079 1.044 1.00 0.00 C ATOM 1391 C VAL A 99 -10.696 -2.576 1.562 1.00 0.00 C ATOM 1392 O VAL A 99 -10.998 -2.474 2.732 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.351 -3.237 1.038 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.494 -4.025 -0.265 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.928 -2.685 1.150 1.00 0.00 C ATOM 0 H VAL A 99 -8.700 -1.243 2.899 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.471 -1.695 0.031 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.551 -3.895 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.783 -4.851 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.508 -4.418 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.294 -3.368 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.216 -3.510 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.725 -2.027 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.827 -2.124 2.079 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.499 -3.126 0.700 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.820 -3.649 1.134 1.00 0.00 C ATOM 1407 C TYR A 100 -12.830 -5.154 0.881 1.00 0.00 C ATOM 1408 O TYR A 100 -12.325 -5.618 -0.121 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.919 -2.968 0.327 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.198 -2.855 1.191 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.788 -4.007 1.775 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -15.805 -1.602 1.414 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.946 -3.887 2.553 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -16.963 -1.499 2.194 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.532 -2.638 2.761 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.675 -2.530 3.528 1.00 0.00 O ATOM 0 H TYR A 100 -11.296 -3.237 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.993 -3.448 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.592 -1.977 0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -14.128 -3.539 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -15.342 -4.978 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -15.372 -0.713 0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.389 -4.767 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -17.417 -0.533 2.357 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.593 -3.101 4.320 1.00 0.00 H new ATOM 1426 N SER A 101 -13.371 -5.935 1.773 1.00 0.00 N ATOM 1427 CA SER A 101 -13.363 -7.405 1.537 1.00 0.00 C ATOM 1428 C SER A 101 -14.469 -8.088 2.334 1.00 0.00 C ATOM 1429 O SER A 101 -14.581 -7.923 3.539 1.00 0.00 O ATOM 1430 CB SER A 101 -12.008 -7.986 1.954 1.00 0.00 C ATOM 1431 OG SER A 101 -12.094 -9.404 1.985 1.00 0.00 O ATOM 0 H SER A 101 -13.811 -5.627 2.640 1.00 0.00 H new ATOM 0 HA SER A 101 -13.534 -7.583 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.234 -7.672 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.723 -7.606 2.935 1.00 0.00 H new ATOM 0 HG SER A 101 -11.228 -9.779 2.250 1.00 0.00 H new ATOM 1437 N ILE A 102 -15.289 -8.861 1.669 1.00 0.00 N ATOM 1438 CA ILE A 102 -16.385 -9.567 2.375 1.00 0.00 C ATOM 1439 C ILE A 102 -16.854 -10.745 1.504 1.00 0.00 C ATOM 1440 O ILE A 102 -17.535 -10.535 0.514 1.00 0.00 O ATOM 1441 CB ILE A 102 -17.576 -8.633 2.593 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.172 -7.158 2.419 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -18.132 -8.851 4.013 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -16.801 -6.878 0.963 1.00 0.00 C ATOM 0 H ILE A 102 -15.242 -9.030 0.664 1.00 0.00 H new ATOM 0 HA ILE A 102 -16.015 -9.912 3.341 1.00 0.00 H new ATOM 0 HB ILE A 102 -18.337 -8.863 1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.994 -6.510 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -16.327 -6.926 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -18.982 -8.188 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -18.453 -9.887 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -17.355 -8.632 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.517 -5.831 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.964 -7.513 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -17.657 -7.090 0.322 1.00 0.00 H new ATOM 1456 N PRO A 103 -16.488 -11.946 1.880 1.00 0.00 N ATOM 1457 CA PRO A 103 -16.875 -13.179 1.132 1.00 0.00 C ATOM 1458 C PRO A 103 -18.258 -13.659 1.598 1.00 0.00 C ATOM 1459 O PRO A 103 -18.837 -14.566 1.033 1.00 0.00 O ATOM 1460 CB PRO A 103 -15.789 -14.170 1.530 1.00 0.00 C ATOM 1461 CG PRO A 103 -15.222 -13.710 2.870 1.00 0.00 C ATOM 1462 CD PRO A 103 -15.650 -12.254 3.087 1.00 0.00 C ATOM 0 HA PRO A 103 -16.948 -13.040 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -16.199 -15.177 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -15.005 -14.205 0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -15.592 -14.341 3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -14.135 -13.793 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.218 -12.137 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -14.789 -11.590 3.157 1.00 0.00 H new ATOM 1470 N TRP A 104 -18.771 -13.080 2.656 1.00 0.00 N ATOM 1471 CA TRP A 104 -20.109 -13.544 3.193 1.00 0.00 C ATOM 1472 C TRP A 104 -21.305 -13.085 2.359 1.00 0.00 C ATOM 1473 O TRP A 104 -22.405 -13.554 2.569 1.00 0.00 O ATOM 1474 CB TRP A 104 -20.315 -13.106 4.650 1.00 0.00 C ATOM 1475 CG TRP A 104 -21.015 -11.768 4.813 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -21.854 -11.524 5.841 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -20.978 -10.501 4.033 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -22.288 -10.227 5.786 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -21.789 -9.555 4.710 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -20.343 -10.056 2.853 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -21.951 -8.249 4.260 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -20.518 -8.725 2.397 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -21.314 -7.829 3.108 1.00 0.00 C ATOM 0 H TRP A 104 -18.336 -12.315 3.172 1.00 0.00 H new ATOM 0 HA TRP A 104 -20.069 -14.632 3.133 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -20.895 -13.870 5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -19.344 -13.056 5.142 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -22.140 -12.244 6.594 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -22.915 -9.810 6.474 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.718 -10.736 2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.576 -7.562 4.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.029 -8.402 1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.432 -6.813 2.761 1.00 0.00 H new ATOM 1494 N LEU A 105 -21.145 -12.201 1.427 1.00 0.00 N ATOM 1495 CA LEU A 105 -22.318 -11.791 0.648 1.00 0.00 C ATOM 1496 C LEU A 105 -21.874 -11.438 -0.783 1.00 0.00 C ATOM 1497 O LEU A 105 -22.569 -10.751 -1.504 1.00 0.00 O ATOM 1498 CB LEU A 105 -22.986 -10.598 1.335 1.00 0.00 C ATOM 1499 CG LEU A 105 -23.660 -11.045 2.656 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -24.253 -9.837 3.366 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -24.772 -12.048 2.344 1.00 0.00 C ATOM 0 H LEU A 105 -20.263 -11.753 1.177 1.00 0.00 H new ATOM 0 HA LEU A 105 -23.043 -12.603 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.244 -9.826 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.729 -10.157 0.671 1.00 0.00 H new ATOM 0 HG LEU A 105 -22.915 -11.511 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -24.726 -10.157 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.462 -9.122 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.997 -9.366 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.248 -12.364 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.514 -11.579 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -24.348 -12.916 1.840 1.00 0.00 H new ATOM 1513 N ASN A 106 -20.714 -11.920 -1.194 1.00 0.00 N ATOM 1514 CA ASN A 106 -20.201 -11.649 -2.575 1.00 0.00 C ATOM 1515 C ASN A 106 -19.763 -10.192 -2.709 1.00 0.00 C ATOM 1516 O ASN A 106 -20.369 -9.427 -3.433 1.00 0.00 O ATOM 1517 CB ASN A 106 -21.279 -11.948 -3.637 1.00 0.00 C ATOM 1518 CG ASN A 106 -20.803 -11.431 -4.999 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -19.671 -11.013 -5.140 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -21.623 -11.447 -6.013 1.00 0.00 N ATOM 0 H ASN A 106 -20.099 -12.496 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 106 -19.346 -12.305 -2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.469 -13.020 -3.688 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -22.220 -11.471 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.314 -11.109 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.573 -11.798 -5.895 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.703 -9.794 -2.054 1.00 0.00 N ATOM 1528 CA GLN A 107 -18.258 -8.377 -2.220 1.00 0.00 C ATOM 1529 C GLN A 107 -16.776 -8.214 -1.897 1.00 0.00 C ATOM 1530 O GLN A 107 -16.175 -8.979 -1.163 1.00 0.00 O ATOM 1531 CB GLN A 107 -19.095 -7.430 -1.366 1.00 0.00 C ATOM 1532 CG GLN A 107 -19.336 -6.136 -2.144 1.00 0.00 C ATOM 1533 CD GLN A 107 -19.545 -4.979 -1.166 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -19.916 -5.232 0.060 1.00 0.00 O flip ATOM 1535 NE2 GLN A 107 -19.368 -3.831 -1.520 1.00 0.00 N flip ATOM 0 H GLN A 107 -18.139 -10.369 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.406 -8.115 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -20.046 -7.897 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.581 -7.215 -0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.486 -5.927 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -20.210 -6.244 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -19.078 -3.631 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -19.509 -3.066 -0.860 1.00 0.00 H new ATOM 1544 N ILE A 108 -16.199 -7.206 -2.475 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.751 -6.917 -2.279 1.00 0.00 C ATOM 1546 C ILE A 108 -14.394 -5.723 -3.175 1.00 0.00 C ATOM 1547 O ILE A 108 -14.867 -5.623 -4.290 1.00 0.00 O ATOM 1548 CB ILE A 108 -13.929 -8.173 -2.667 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -12.943 -8.509 -1.544 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -13.155 -7.946 -3.976 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -11.877 -9.483 -2.054 1.00 0.00 C ATOM 0 H ILE A 108 -16.680 -6.551 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.526 -6.674 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.621 -9.002 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.469 -7.597 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -13.476 -8.949 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.588 -8.843 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.857 -7.727 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.471 -7.106 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.181 -9.715 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -12.356 -10.401 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.334 -9.027 -2.882 1.00 0.00 H new ATOM 1563 N LYS A 109 -13.580 -4.813 -2.719 1.00 0.00 N ATOM 1564 CA LYS A 109 -13.243 -3.653 -3.590 1.00 0.00 C ATOM 1565 C LYS A 109 -11.930 -3.005 -3.144 1.00 0.00 C ATOM 1566 O LYS A 109 -11.242 -3.489 -2.269 1.00 0.00 O ATOM 1567 CB LYS A 109 -14.364 -2.617 -3.505 1.00 0.00 C ATOM 1568 CG LYS A 109 -15.301 -2.776 -4.706 1.00 0.00 C ATOM 1569 CD LYS A 109 -16.220 -1.557 -4.797 1.00 0.00 C ATOM 1570 CE LYS A 109 -17.430 -1.764 -3.885 1.00 0.00 C ATOM 1571 NZ LYS A 109 -18.448 -0.710 -4.160 1.00 0.00 N ATOM 0 H LYS A 109 -13.140 -4.820 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.131 -4.007 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.921 -2.744 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.944 -1.611 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.721 -2.877 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.893 -3.685 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.679 -0.657 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.547 -1.411 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.860 -2.752 -4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.122 -1.723 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -19.271 -0.851 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.035 0.227 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.750 -0.770 -5.154 1.00 0.00 H new ATOM 1585 N LEU A 110 -11.604 -1.893 -3.743 1.00 0.00 N ATOM 1586 CA LEU A 110 -10.372 -1.157 -3.386 1.00 0.00 C ATOM 1587 C LEU A 110 -10.747 0.324 -3.309 1.00 0.00 C ATOM 1588 O LEU A 110 -10.675 1.052 -4.279 1.00 0.00 O ATOM 1589 CB LEU A 110 -9.310 -1.382 -4.460 1.00 0.00 C ATOM 1590 CG LEU A 110 -8.015 -0.633 -4.105 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -8.141 0.839 -4.503 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.744 -0.737 -2.601 1.00 0.00 C ATOM 0 H LEU A 110 -12.157 -1.459 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.965 -1.501 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.105 -2.448 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.682 -1.039 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.186 -1.084 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.221 1.365 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.316 0.912 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.976 1.290 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.825 -0.204 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.575 -0.296 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.639 -1.785 -2.322 1.00 0.00 H new ATOM 1604 N LEU A 111 -11.185 0.751 -2.164 1.00 0.00 N ATOM 1605 CA LEU A 111 -11.613 2.162 -1.977 1.00 0.00 C ATOM 1606 C LEU A 111 -10.669 3.087 -2.734 1.00 0.00 C ATOM 1607 O LEU A 111 -11.042 3.706 -3.711 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.580 2.485 -0.484 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.723 3.443 -0.136 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -14.064 2.735 -0.341 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.598 3.874 1.327 1.00 0.00 C ATOM 0 H LEU A 111 -11.267 0.169 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.623 2.304 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.672 1.568 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.623 2.935 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.671 4.319 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.877 3.417 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.156 2.424 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.116 1.859 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.411 4.556 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.651 2.996 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.643 4.377 1.478 1.00 0.00 H new ATOM 1623 N GLU A 112 -9.449 3.185 -2.300 1.00 0.00 N ATOM 1624 CA GLU A 112 -8.485 4.076 -3.018 1.00 0.00 C ATOM 1625 C GLU A 112 -7.236 4.288 -2.168 1.00 0.00 C ATOM 1626 O GLU A 112 -7.043 3.649 -1.153 1.00 0.00 O ATOM 1627 CB GLU A 112 -9.138 5.443 -3.298 1.00 0.00 C ATOM 1628 CG GLU A 112 -10.032 5.832 -2.117 1.00 0.00 C ATOM 1629 CD GLU A 112 -10.264 7.343 -2.130 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -9.757 7.993 -3.028 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -10.949 7.824 -1.242 1.00 0.00 O ATOM 0 H GLU A 112 -9.073 2.695 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.210 3.602 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.370 6.201 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.727 5.396 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.985 5.306 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.564 5.533 -1.179 1.00 0.00 H new ATOM 1638 N SER A 113 -6.384 5.187 -2.582 1.00 0.00 N ATOM 1639 CA SER A 113 -5.141 5.452 -1.806 1.00 0.00 C ATOM 1640 C SER A 113 -5.262 6.803 -1.097 1.00 0.00 C ATOM 1641 O SER A 113 -6.009 7.669 -1.505 1.00 0.00 O ATOM 1642 CB SER A 113 -3.934 5.481 -2.754 1.00 0.00 C ATOM 1643 OG SER A 113 -3.908 6.720 -3.447 1.00 0.00 O ATOM 0 H SER A 113 -6.496 5.749 -3.425 1.00 0.00 H new ATOM 0 HA SER A 113 -5.002 4.662 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.011 5.348 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.995 4.656 -3.464 1.00 0.00 H new ATOM 0 HG SER A 113 -3.137 6.741 -4.051 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.529 6.980 -0.037 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.582 8.264 0.715 1.00 0.00 C ATOM 1651 C LYS A 114 -3.153 8.720 1.039 1.00 0.00 C ATOM 1652 O LYS A 114 -2.676 8.540 2.143 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.348 8.054 2.023 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.132 9.323 2.363 1.00 0.00 C ATOM 1655 CD LYS A 114 -5.666 9.863 3.715 1.00 0.00 C ATOM 1656 CE LYS A 114 -5.864 11.380 3.754 1.00 0.00 C ATOM 1657 NZ LYS A 114 -5.043 11.961 4.853 1.00 0.00 N ATOM 0 H LYS A 114 -3.889 6.284 0.345 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.084 9.020 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.028 7.208 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.654 7.815 2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.982 10.075 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.200 9.106 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.229 9.391 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.616 9.618 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.576 11.820 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.917 11.616 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.178 12.992 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.338 11.550 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.039 11.747 4.686 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.456 9.299 0.094 1.00 0.00 N ATOM 1672 CA CYS A 115 -1.057 9.749 0.378 1.00 0.00 C ATOM 1673 C CYS A 115 -0.956 11.261 0.194 1.00 0.00 C ATOM 1674 O CYS A 115 -1.929 11.934 -0.084 1.00 0.00 O ATOM 1675 CB CYS A 115 -0.042 9.061 -0.556 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.851 7.794 -1.572 1.00 0.00 S ATOM 0 H CYS A 115 -2.790 9.479 -0.853 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.821 9.476 1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.427 9.805 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.752 8.606 0.036 1.00 0.00 H new ATOM 1681 N GLN A 116 0.222 11.796 0.345 1.00 0.00 N ATOM 1682 CA GLN A 116 0.402 13.266 0.179 1.00 0.00 C ATOM 1683 C GLN A 116 1.895 13.592 0.101 1.00 0.00 C ATOM 1684 CB GLN A 116 -0.220 13.998 1.374 1.00 0.00 C ATOM 1685 CG GLN A 116 0.161 15.479 1.322 1.00 0.00 C ATOM 1686 CD GLN A 116 -0.315 16.172 2.600 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -1.401 16.715 2.642 1.00 0.00 O ATOM 1688 NE2 GLN A 116 0.458 16.177 3.653 1.00 0.00 N ATOM 0 H GLN A 116 1.070 11.279 0.577 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.089 13.589 -0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -1.304 13.890 1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.129 13.555 2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 116 1.241 15.584 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -0.290 15.951 0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.370 15.721 3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.150 16.637 4.510 1.00 0.00 H new TER 1697 GLN A 116