USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ -170:sc= 0.809 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 78:sc= 1.92 USER MOD Set 2.1: A 54 SER OG : rot 112:sc= 1.21 USER MOD Set 2.2: A 71 ASN : amide:sc= 1.15 K(o=2.4,f=-2) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1.05 (180deg=1.04) USER MOD Single : A 3 HIS : no HE2:sc= 0.591 K(o=0.59,f=-3!) USER MOD Single : A 12 GLN : amide:sc= 0.723 K(o=0.72,f=-0.55) USER MOD Single : A 13 TYR OH : rot 175:sc= 1.17 USER MOD Single : A 14 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.086) USER MOD Single : A 15 GLN : amide:sc= 0.995 K(o=1,f=-0.021) USER MOD Single : A 17 HIS : no HE2:sc= 0.798 K(o=0.8,f=-2.6!) USER MOD Single : A 19 GLN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.39 K(o=1.4,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 41:sc= 0.92 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.11) USER MOD Single : A 41 ASN : amide:sc= 0.72 K(o=0.72,f=-0.081) USER MOD Single : A 43 THR OG1 : rot 86:sc= 1.06 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.849) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.0801 USER MOD Single : A 48 CYS SG : rot 36:sc= -1.98! USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.71 K(o=0.71,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0.701 K(o=0.7,f=-4.7!) USER MOD Single : A 64 MET CE :methyl -169:sc= 0 (180deg=-0.131) USER MOD Single : A 66 TYR OH : rot -164:sc= 1.02 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.23) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.484 (180deg=-0.484) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 1.57 (180deg=1.53) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.782 1.458 -0.488 1.00 0.00 N ATOM 2 CA ALA A 1 -0.716 0.940 -1.369 1.00 0.00 C ATOM 3 C ALA A 1 -0.183 2.084 -2.241 1.00 0.00 C ATOM 4 O ALA A 1 -0.332 3.265 -1.901 1.00 0.00 O ATOM 5 CB ALA A 1 -1.215 -0.274 -2.182 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.205 0.671 0.045 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.378 2.148 0.177 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.515 1.920 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 1 0.118 0.569 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.412 -0.637 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.522 -1.067 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.064 0.024 -2.797 1.00 0.00 H new ATOM 13 N GLU A 2 0.481 1.754 -3.349 1.00 0.00 N ATOM 14 CA GLU A 2 1.039 2.710 -4.291 1.00 0.00 C ATOM 15 C GLU A 2 0.901 2.147 -5.703 1.00 0.00 C ATOM 16 O GLU A 2 1.010 0.933 -5.905 1.00 0.00 O ATOM 17 CB GLU A 2 2.514 2.957 -3.924 1.00 0.00 C ATOM 18 CG GLU A 2 3.239 3.977 -4.808 1.00 0.00 C ATOM 19 CD GLU A 2 4.692 4.148 -4.342 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.927 4.769 -3.282 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.621 3.697 -5.054 1.00 0.00 O ATOM 0 H GLU A 2 0.647 0.785 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 2 0.508 3.661 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.564 3.295 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.049 2.009 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.219 3.647 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.722 4.936 -4.768 1.00 0.00 H new ATOM 28 N HIS A 3 0.696 3.037 -6.673 1.00 0.00 N ATOM 29 CA HIS A 3 0.783 2.743 -8.090 1.00 0.00 C ATOM 30 C HIS A 3 1.456 3.926 -8.784 1.00 0.00 C ATOM 31 O HIS A 3 1.651 5.000 -8.202 1.00 0.00 O ATOM 32 CB HIS A 3 -0.599 2.434 -8.696 1.00 0.00 C ATOM 33 CG HIS A 3 -0.508 1.458 -9.848 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.241 1.732 -11.177 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.574 0.094 -9.727 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.139 0.559 -11.825 1.00 0.00 C ATOM 37 NE2 HIS A 3 -0.345 -0.473 -10.986 1.00 0.00 N ATOM 0 H HIS A 3 0.458 4.010 -6.481 1.00 0.00 H new ATOM 0 HA HIS A 3 1.381 1.844 -8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.250 2.024 -7.924 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.059 3.360 -9.041 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -0.140 2.659 -11.591 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.769 -0.451 -8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.079 0.458 -12.878 1.00 0.00 H new ATOM 45 N TRP A 4 1.792 3.711 -10.049 1.00 0.00 N ATOM 46 CA TRP A 4 2.622 4.576 -10.864 1.00 0.00 C ATOM 47 C TRP A 4 1.871 4.770 -12.172 1.00 0.00 C ATOM 48 O TRP A 4 1.292 3.808 -12.685 1.00 0.00 O ATOM 49 CB TRP A 4 3.977 3.873 -11.072 1.00 0.00 C ATOM 50 CG TRP A 4 4.500 3.192 -9.836 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.093 3.803 -8.788 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.346 1.794 -9.437 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.287 2.899 -7.763 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.856 1.639 -8.112 1.00 0.00 C ATOM 55 CE3 TRP A 4 3.787 0.649 -10.046 1.00 0.00 C ATOM 56 CZ2 TRP A 4 4.827 0.409 -7.436 1.00 0.00 C ATOM 57 CZ3 TRP A 4 3.757 -0.590 -9.379 1.00 0.00 C ATOM 58 CH2 TRP A 4 4.277 -0.713 -8.077 1.00 0.00 C ATOM 0 H TRP A 4 1.475 2.885 -10.557 1.00 0.00 H new ATOM 0 HA TRP A 4 2.818 5.547 -10.410 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.875 3.135 -11.868 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.709 4.607 -11.410 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.374 4.845 -8.756 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.698 3.135 -6.860 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.375 0.725 -11.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.223 0.327 -6.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 3.332 -1.453 -9.870 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.253 -1.668 -7.572 1.00 0.00 H new ATOM 69 N ILE A 5 1.853 5.988 -12.706 1.00 0.00 N ATOM 70 CA ILE A 5 1.135 6.331 -13.925 1.00 0.00 C ATOM 71 C ILE A 5 2.076 7.239 -14.721 1.00 0.00 C ATOM 72 O ILE A 5 2.638 8.199 -14.188 1.00 0.00 O ATOM 73 CB ILE A 5 -0.219 7.013 -13.596 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.133 6.242 -12.608 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.003 7.317 -14.883 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.757 4.939 -13.132 1.00 0.00 C ATOM 0 H ILE A 5 2.348 6.779 -12.293 1.00 0.00 H new ATOM 0 HA ILE A 5 0.875 5.449 -14.511 1.00 0.00 H new ATOM 0 HB ILE A 5 0.063 7.933 -13.083 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.552 6.008 -11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.939 6.907 -12.298 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.949 7.795 -14.628 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.418 7.984 -15.516 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.198 6.388 -15.418 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.374 4.492 -12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.375 5.156 -14.004 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.966 4.244 -13.412 1.00 0.00 H new ATOM 88 N ASP A 6 2.270 6.912 -15.993 1.00 0.00 N ATOM 89 CA ASP A 6 2.939 7.769 -16.958 1.00 0.00 C ATOM 90 C ASP A 6 1.868 8.710 -17.487 1.00 0.00 C ATOM 91 O ASP A 6 0.881 8.242 -18.051 1.00 0.00 O ATOM 92 CB ASP A 6 3.483 6.915 -18.109 1.00 0.00 C ATOM 93 CG ASP A 6 3.743 7.738 -19.378 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.117 8.926 -19.284 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.572 7.179 -20.479 1.00 0.00 O ATOM 0 H ASP A 6 1.959 6.025 -16.388 1.00 0.00 H new ATOM 0 HA ASP A 6 3.772 8.312 -16.511 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.410 6.435 -17.795 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.773 6.120 -18.335 1.00 0.00 H new ATOM 100 N VAL A 7 2.045 10.018 -17.325 1.00 0.00 N ATOM 101 CA VAL A 7 1.038 10.998 -17.735 1.00 0.00 C ATOM 102 C VAL A 7 1.521 11.842 -18.916 1.00 0.00 C ATOM 103 O VAL A 7 0.971 12.910 -19.182 1.00 0.00 O ATOM 104 CB VAL A 7 0.492 11.783 -16.522 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.137 10.838 -15.486 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.581 12.613 -15.827 1.00 0.00 C ATOM 0 H VAL A 7 2.882 10.428 -16.910 1.00 0.00 H new ATOM 0 HA VAL A 7 0.166 10.475 -18.128 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.266 12.459 -16.918 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.512 11.419 -14.644 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.960 10.291 -15.945 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.615 10.132 -15.133 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.148 13.146 -14.981 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.372 11.952 -15.473 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.998 13.331 -16.533 1.00 0.00 H new ATOM 116 N ARG A 8 2.528 11.375 -19.659 1.00 0.00 N ATOM 117 CA ARG A 8 3.008 12.059 -20.852 1.00 0.00 C ATOM 118 C ARG A 8 2.403 11.410 -22.092 1.00 0.00 C ATOM 119 O ARG A 8 1.609 10.471 -22.012 1.00 0.00 O ATOM 120 CB ARG A 8 4.547 11.996 -20.922 1.00 0.00 C ATOM 121 CG ARG A 8 5.119 13.323 -21.449 1.00 0.00 C ATOM 122 CD ARG A 8 6.444 13.128 -22.189 1.00 0.00 C ATOM 123 NE ARG A 8 6.807 14.359 -22.914 1.00 0.00 N ATOM 124 CZ ARG A 8 7.446 14.428 -24.091 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.957 13.335 -24.651 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.565 15.597 -24.707 1.00 0.00 N ATOM 0 H ARG A 8 3.030 10.513 -19.447 1.00 0.00 H new ATOM 0 HA ARG A 8 2.704 13.105 -20.808 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.953 11.786 -19.933 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.854 11.177 -21.573 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.396 13.788 -22.119 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.268 14.009 -20.615 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.230 12.869 -21.480 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.359 12.296 -22.889 1.00 0.00 H new ATOM 0 HE ARG A 8 6.547 15.244 -22.478 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.865 12.432 -24.185 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.441 13.399 -25.547 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.171 16.438 -24.285 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.050 15.655 -25.602 1.00 0.00 H new ATOM 140 N VAL A 9 2.802 11.913 -23.257 1.00 0.00 N ATOM 141 CA VAL A 9 2.559 11.242 -24.523 1.00 0.00 C ATOM 142 C VAL A 9 3.247 9.860 -24.500 1.00 0.00 C ATOM 143 O VAL A 9 4.267 9.706 -23.818 1.00 0.00 O ATOM 144 CB VAL A 9 3.090 12.116 -25.678 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.123 13.271 -25.969 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.496 12.691 -25.421 1.00 0.00 C ATOM 0 H VAL A 9 3.303 12.797 -23.346 1.00 0.00 H new ATOM 0 HA VAL A 9 1.490 11.093 -24.676 1.00 0.00 H new ATOM 0 HB VAL A 9 3.163 11.452 -26.539 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.515 13.876 -26.787 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.150 12.869 -26.249 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.017 13.890 -25.078 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.804 13.294 -26.275 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.477 13.312 -24.526 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.203 11.874 -25.280 1.00 0.00 H new ATOM 156 N PRO A 10 2.765 8.876 -25.284 1.00 0.00 N ATOM 157 CA PRO A 10 3.421 7.578 -25.449 1.00 0.00 C ATOM 158 C PRO A 10 4.896 7.648 -25.863 1.00 0.00 C ATOM 159 O PRO A 10 5.610 6.666 -25.681 1.00 0.00 O ATOM 160 CB PRO A 10 2.614 6.833 -26.517 1.00 0.00 C ATOM 161 CG PRO A 10 1.228 7.461 -26.432 1.00 0.00 C ATOM 162 CD PRO A 10 1.520 8.908 -26.042 1.00 0.00 C ATOM 0 HA PRO A 10 3.436 7.074 -24.483 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.050 6.959 -27.508 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.580 5.762 -26.318 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.700 7.400 -27.384 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.605 6.962 -25.689 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.617 9.538 -26.926 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.709 9.322 -25.443 1.00 0.00 H new ATOM 170 N GLU A 11 5.358 8.776 -26.419 1.00 0.00 N ATOM 171 CA GLU A 11 6.711 8.969 -26.933 1.00 0.00 C ATOM 172 C GLU A 11 7.779 8.483 -25.948 1.00 0.00 C ATOM 173 O GLU A 11 8.703 7.785 -26.372 1.00 0.00 O ATOM 174 CB GLU A 11 6.901 10.457 -27.277 1.00 0.00 C ATOM 175 CG GLU A 11 8.252 10.768 -27.936 1.00 0.00 C ATOM 176 CD GLU A 11 8.401 12.271 -28.229 1.00 0.00 C ATOM 177 OE1 GLU A 11 8.704 13.044 -27.290 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.234 12.688 -29.398 1.00 0.00 O ATOM 0 H GLU A 11 4.775 9.606 -26.525 1.00 0.00 H new ATOM 0 HA GLU A 11 6.835 8.366 -27.832 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.099 10.772 -27.945 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.807 11.047 -26.365 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.061 10.441 -27.283 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.344 10.204 -28.864 1.00 0.00 H new ATOM 185 N GLN A 12 7.655 8.805 -24.650 1.00 0.00 N ATOM 186 CA GLN A 12 8.634 8.332 -23.672 1.00 0.00 C ATOM 187 C GLN A 12 8.455 6.835 -23.407 1.00 0.00 C ATOM 188 O GLN A 12 9.437 6.099 -23.459 1.00 0.00 O ATOM 189 CB GLN A 12 8.663 9.169 -22.377 1.00 0.00 C ATOM 190 CG GLN A 12 7.360 9.320 -21.564 1.00 0.00 C ATOM 191 CD GLN A 12 7.636 9.824 -20.136 1.00 0.00 C ATOM 192 OE1 GLN A 12 8.652 10.448 -19.852 1.00 0.00 O ATOM 193 NE2 GLN A 12 6.767 9.542 -19.183 1.00 0.00 N ATOM 0 H GLN A 12 6.904 9.377 -24.265 1.00 0.00 H new ATOM 0 HA GLN A 12 9.620 8.476 -24.114 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.415 8.734 -21.719 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.008 10.170 -22.638 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.692 10.015 -22.073 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.846 8.360 -21.518 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.917 9.023 -19.405 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.945 9.843 -18.225 1.00 0.00 H new ATOM 202 N TYR A 13 7.212 6.379 -23.205 1.00 0.00 N ATOM 203 CA TYR A 13 6.858 4.997 -22.892 1.00 0.00 C ATOM 204 C TYR A 13 7.408 4.027 -23.945 1.00 0.00 C ATOM 205 O TYR A 13 7.863 2.934 -23.606 1.00 0.00 O ATOM 206 CB TYR A 13 5.322 4.901 -22.788 1.00 0.00 C ATOM 207 CG TYR A 13 4.773 3.759 -21.948 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.525 2.496 -22.521 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.451 3.981 -20.595 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.958 1.466 -21.745 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.889 2.958 -19.812 1.00 0.00 C ATOM 212 CZ TYR A 13 3.639 1.690 -20.384 1.00 0.00 C ATOM 213 OH TYR A 13 3.091 0.688 -19.642 1.00 0.00 O ATOM 0 H TYR A 13 6.397 6.990 -23.258 1.00 0.00 H new ATOM 0 HA TYR A 13 7.308 4.710 -21.942 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.948 5.839 -22.377 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.916 4.810 -23.796 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.770 2.317 -23.557 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.638 4.949 -20.154 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.766 0.501 -22.190 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.649 3.141 -18.775 1.00 0.00 H new ATOM 0 HH TYR A 13 3.012 0.978 -18.709 1.00 0.00 H new ATOM 223 N GLN A 14 7.400 4.441 -25.217 1.00 0.00 N ATOM 224 CA GLN A 14 7.923 3.676 -26.343 1.00 0.00 C ATOM 225 C GLN A 14 9.452 3.511 -26.303 1.00 0.00 C ATOM 226 O GLN A 14 9.968 2.638 -27.003 1.00 0.00 O ATOM 227 CB GLN A 14 7.488 4.344 -27.662 1.00 0.00 C ATOM 228 CG GLN A 14 5.985 4.194 -27.959 1.00 0.00 C ATOM 229 CD GLN A 14 5.562 2.736 -28.158 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.047 2.042 -29.049 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.657 2.231 -27.334 1.00 0.00 N ATOM 0 H GLN A 14 7.017 5.345 -25.494 1.00 0.00 H new ATOM 0 HA GLN A 14 7.506 2.671 -26.275 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.739 5.404 -27.623 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.058 3.912 -28.484 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.412 4.625 -27.138 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.737 4.765 -28.854 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.258 2.812 -26.597 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.359 1.261 -27.437 1.00 0.00 H new ATOM 240 N GLN A 15 10.184 4.301 -25.508 1.00 0.00 N ATOM 241 CA GLN A 15 11.611 4.090 -25.281 1.00 0.00 C ATOM 242 C GLN A 15 11.754 3.217 -24.036 1.00 0.00 C ATOM 243 O GLN A 15 12.266 2.099 -24.111 1.00 0.00 O ATOM 244 CB GLN A 15 12.388 5.416 -25.109 1.00 0.00 C ATOM 245 CG GLN A 15 11.939 6.584 -25.997 1.00 0.00 C ATOM 246 CD GLN A 15 11.782 6.229 -27.478 1.00 0.00 C ATOM 247 OE1 GLN A 15 12.681 5.678 -28.109 1.00 0.00 O ATOM 248 NE2 GLN A 15 10.636 6.540 -28.064 1.00 0.00 N ATOM 0 H GLN A 15 9.800 5.102 -25.007 1.00 0.00 H new ATOM 0 HA GLN A 15 12.043 3.602 -26.155 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.308 5.727 -24.067 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.443 5.223 -25.304 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.988 6.963 -25.624 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.663 7.394 -25.905 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.897 6.997 -27.529 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.492 6.322 -29.050 1.00 0.00 H new ATOM 257 N GLU A 16 11.245 3.698 -22.901 1.00 0.00 N ATOM 258 CA GLU A 16 11.236 3.006 -21.624 1.00 0.00 C ATOM 259 C GLU A 16 10.157 3.649 -20.753 1.00 0.00 C ATOM 260 O GLU A 16 9.792 4.808 -20.960 1.00 0.00 O ATOM 261 CB GLU A 16 12.626 3.073 -20.949 1.00 0.00 C ATOM 262 CG GLU A 16 12.973 4.449 -20.345 1.00 0.00 C ATOM 263 CD GLU A 16 14.452 4.617 -19.947 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.147 3.621 -19.641 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.921 5.778 -19.919 1.00 0.00 O ATOM 0 H GLU A 16 10.811 4.620 -22.851 1.00 0.00 H new ATOM 0 HA GLU A 16 11.012 1.949 -21.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.671 2.322 -20.161 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.387 2.810 -21.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.714 5.224 -21.066 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.352 4.612 -19.464 1.00 0.00 H new ATOM 272 N HIS A 17 9.680 2.934 -19.742 1.00 0.00 N ATOM 273 CA HIS A 17 8.734 3.468 -18.782 1.00 0.00 C ATOM 274 C HIS A 17 9.096 2.968 -17.396 1.00 0.00 C ATOM 275 O HIS A 17 9.711 1.910 -17.247 1.00 0.00 O ATOM 276 CB HIS A 17 7.304 3.083 -19.179 1.00 0.00 C ATOM 277 CG HIS A 17 7.021 1.600 -19.172 1.00 0.00 C ATOM 278 ND1 HIS A 17 6.691 0.838 -18.073 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.002 0.769 -20.261 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.470 -0.418 -18.493 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.651 -0.516 -19.823 1.00 0.00 N ATOM 0 H HIS A 17 9.942 1.964 -19.568 1.00 0.00 H new ATOM 0 HA HIS A 17 8.782 4.557 -18.773 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.609 3.574 -18.498 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.102 3.472 -20.177 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.626 1.169 -17.110 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.220 1.054 -21.280 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.186 -1.238 -17.851 1.00 0.00 H new ATOM 289 N VAL A 18 8.704 3.734 -16.381 1.00 0.00 N ATOM 290 CA VAL A 18 8.854 3.359 -14.984 1.00 0.00 C ATOM 291 C VAL A 18 8.151 2.011 -14.772 1.00 0.00 C ATOM 292 O VAL A 18 7.097 1.750 -15.366 1.00 0.00 O ATOM 293 CB VAL A 18 8.310 4.522 -14.126 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.086 4.154 -12.654 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.285 5.710 -14.197 1.00 0.00 C ATOM 0 H VAL A 18 8.267 4.646 -16.512 1.00 0.00 H new ATOM 0 HA VAL A 18 9.890 3.208 -14.681 1.00 0.00 H new ATOM 0 HB VAL A 18 7.335 4.778 -14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.703 5.022 -12.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.365 3.339 -12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.030 3.839 -12.210 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.902 6.532 -13.592 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.260 5.404 -13.818 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.385 6.038 -15.232 1.00 0.00 H new ATOM 305 N GLN A 19 8.753 1.144 -13.953 1.00 0.00 N ATOM 306 CA GLN A 19 8.234 -0.178 -13.629 1.00 0.00 C ATOM 307 C GLN A 19 6.755 -0.083 -13.239 1.00 0.00 C ATOM 308 O GLN A 19 6.412 0.596 -12.272 1.00 0.00 O ATOM 309 CB GLN A 19 9.107 -0.790 -12.516 1.00 0.00 C ATOM 310 CG GLN A 19 8.609 -2.151 -11.993 1.00 0.00 C ATOM 311 CD GLN A 19 8.092 -2.107 -10.546 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.557 -2.857 -9.691 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.133 -1.252 -10.221 1.00 0.00 N ATOM 0 H GLN A 19 9.637 1.352 -13.488 1.00 0.00 H new ATOM 0 HA GLN A 19 8.283 -0.836 -14.496 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.123 -0.909 -12.892 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.155 -0.090 -11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.811 -2.510 -12.643 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.422 -2.874 -12.057 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.745 -0.628 -10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.783 -1.218 -9.263 1.00 0.00 H new ATOM 322 N GLY A 20 5.892 -0.796 -13.966 1.00 0.00 N ATOM 323 CA GLY A 20 4.469 -0.902 -13.661 1.00 0.00 C ATOM 324 C GLY A 20 3.657 0.347 -14.018 1.00 0.00 C ATOM 325 O GLY A 20 2.459 0.370 -13.736 1.00 0.00 O ATOM 0 H GLY A 20 6.169 -1.322 -14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.056 -1.756 -14.198 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.351 -1.107 -12.597 1.00 0.00 H new ATOM 329 N ALA A 21 4.265 1.381 -14.614 1.00 0.00 N ATOM 330 CA ALA A 21 3.538 2.563 -15.057 1.00 0.00 C ATOM 331 C ALA A 21 2.545 2.211 -16.167 1.00 0.00 C ATOM 332 O ALA A 21 2.765 1.285 -16.952 1.00 0.00 O ATOM 333 CB ALA A 21 4.509 3.647 -15.532 1.00 0.00 C ATOM 0 H ALA A 21 5.268 1.416 -14.799 1.00 0.00 H new ATOM 0 HA ALA A 21 2.975 2.950 -14.208 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.946 4.522 -15.859 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.171 3.927 -14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.102 3.266 -16.363 1.00 0.00 H new ATOM 339 N ILE A 22 1.495 3.023 -16.285 1.00 0.00 N ATOM 340 CA ILE A 22 0.437 2.895 -17.281 1.00 0.00 C ATOM 341 C ILE A 22 0.409 4.237 -18.010 1.00 0.00 C ATOM 342 O ILE A 22 0.356 5.268 -17.340 1.00 0.00 O ATOM 343 CB ILE A 22 -0.924 2.595 -16.595 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.817 1.490 -15.513 1.00 0.00 C ATOM 345 CG2 ILE A 22 -1.968 2.236 -17.671 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.150 1.154 -14.828 1.00 0.00 C ATOM 0 H ILE A 22 1.355 3.819 -15.663 1.00 0.00 H new ATOM 0 HA ILE A 22 0.617 2.071 -17.971 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.244 3.494 -16.068 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.418 0.585 -15.971 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.101 1.806 -14.755 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.925 2.025 -17.193 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.083 3.073 -18.360 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.635 1.356 -18.222 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.990 0.373 -14.085 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.543 2.045 -14.339 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.864 0.805 -15.574 1.00 0.00 H new ATOM 358 N ASN A 23 0.474 4.245 -19.345 1.00 0.00 N ATOM 359 CA ASN A 23 0.371 5.481 -20.120 1.00 0.00 C ATOM 360 C ASN A 23 -1.068 5.998 -20.068 1.00 0.00 C ATOM 361 O ASN A 23 -1.974 5.351 -20.595 1.00 0.00 O ATOM 362 CB ASN A 23 0.816 5.279 -21.576 1.00 0.00 C ATOM 363 CG ASN A 23 0.598 6.572 -22.359 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.319 6.676 -23.165 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.402 7.585 -22.100 1.00 0.00 N ATOM 0 H ASN A 23 0.598 3.406 -19.911 1.00 0.00 H new ATOM 0 HA ASN A 23 1.041 6.218 -19.677 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.867 4.994 -21.610 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.250 4.466 -22.031 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.267 8.478 -22.575 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.159 7.476 -21.425 1.00 0.00 H new ATOM 372 N ILE A 24 -1.271 7.157 -19.444 1.00 0.00 N ATOM 373 CA ILE A 24 -2.547 7.851 -19.303 1.00 0.00 C ATOM 374 C ILE A 24 -2.250 9.356 -19.481 1.00 0.00 C ATOM 375 O ILE A 24 -2.083 10.065 -18.487 1.00 0.00 O ATOM 376 CB ILE A 24 -3.225 7.518 -17.947 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.332 5.997 -17.678 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.625 8.147 -17.945 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.114 5.625 -16.412 1.00 0.00 C ATOM 0 H ILE A 24 -0.506 7.664 -18.999 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.265 7.527 -20.057 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.604 7.926 -17.150 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.808 5.522 -18.536 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.326 5.583 -17.603 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.122 7.926 -17.000 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.539 9.227 -18.066 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.210 7.735 -18.768 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.137 4.541 -16.304 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.628 6.066 -15.542 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.133 6.004 -16.489 1.00 0.00 H new ATOM 391 N PRO A 25 -2.101 9.846 -20.727 1.00 0.00 N ATOM 392 CA PRO A 25 -1.605 11.188 -21.022 1.00 0.00 C ATOM 393 C PRO A 25 -2.355 12.318 -20.313 1.00 0.00 C ATOM 394 O PRO A 25 -3.565 12.242 -20.092 1.00 0.00 O ATOM 395 CB PRO A 25 -1.702 11.343 -22.545 1.00 0.00 C ATOM 396 CG PRO A 25 -1.598 9.906 -23.046 1.00 0.00 C ATOM 397 CD PRO A 25 -2.341 9.125 -21.968 1.00 0.00 C ATOM 0 HA PRO A 25 -0.585 11.278 -20.648 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.642 11.807 -22.844 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.899 11.966 -22.939 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.059 9.784 -24.026 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.561 9.583 -23.139 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.407 9.069 -22.189 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.975 8.100 -21.903 1.00 0.00 H new ATOM 405 N LEU A 26 -1.641 13.417 -20.057 1.00 0.00 N ATOM 406 CA LEU A 26 -2.112 14.637 -19.402 1.00 0.00 C ATOM 407 C LEU A 26 -3.439 15.147 -19.976 1.00 0.00 C ATOM 408 O LEU A 26 -4.303 15.587 -19.221 1.00 0.00 O ATOM 409 CB LEU A 26 -1.000 15.700 -19.539 1.00 0.00 C ATOM 410 CG LEU A 26 -1.303 17.067 -18.892 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.428 16.952 -17.373 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.173 18.053 -19.209 1.00 0.00 C ATOM 0 H LEU A 26 -0.657 13.481 -20.319 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.315 14.422 -18.353 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.086 15.303 -19.097 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.800 15.856 -20.599 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.250 17.421 -19.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.642 17.934 -16.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.238 16.266 -17.125 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.493 16.574 -16.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.392 19.017 -18.750 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.767 17.668 -18.814 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.090 18.176 -20.289 1.00 0.00 H new ATOM 424 N LYS A 27 -3.619 15.059 -21.301 1.00 0.00 N ATOM 425 CA LYS A 27 -4.832 15.517 -21.984 1.00 0.00 C ATOM 426 C LYS A 27 -6.081 14.726 -21.582 1.00 0.00 C ATOM 427 O LYS A 27 -7.190 15.219 -21.783 1.00 0.00 O ATOM 428 CB LYS A 27 -4.650 15.435 -23.511 1.00 0.00 C ATOM 429 CG LYS A 27 -3.573 16.397 -24.034 1.00 0.00 C ATOM 430 CD LYS A 27 -3.507 16.361 -25.570 1.00 0.00 C ATOM 431 CE LYS A 27 -2.538 17.404 -26.150 1.00 0.00 C ATOM 432 NZ LYS A 27 -1.112 17.113 -25.852 1.00 0.00 N ATOM 0 H LYS A 27 -2.921 14.665 -21.932 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.985 16.551 -21.676 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.384 14.414 -23.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.599 15.660 -23.998 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.791 17.411 -23.699 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.603 16.125 -23.617 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.199 15.367 -25.892 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.504 16.533 -25.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.673 17.454 -27.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.792 18.386 -25.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.512 17.852 -26.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.970 17.093 -24.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.855 16.189 -26.255 1.00 0.00 H new ATOM 446 N GLU A 28 -5.926 13.516 -21.039 1.00 0.00 N ATOM 447 CA GLU A 28 -7.019 12.571 -20.821 1.00 0.00 C ATOM 448 C GLU A 28 -7.032 12.027 -19.388 1.00 0.00 C ATOM 449 O GLU A 28 -7.946 11.281 -19.038 1.00 0.00 O ATOM 450 CB GLU A 28 -6.908 11.421 -21.836 1.00 0.00 C ATOM 451 CG GLU A 28 -6.993 11.890 -23.299 1.00 0.00 C ATOM 452 CD GLU A 28 -6.997 10.710 -24.285 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.817 9.779 -24.116 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.193 10.711 -25.245 1.00 0.00 O ATOM 0 H GLU A 28 -5.020 13.161 -20.734 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.961 13.100 -20.967 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.963 10.901 -21.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.703 10.700 -21.646 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.898 12.481 -23.438 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.149 12.543 -23.520 1.00 0.00 H new ATOM 461 N VAL A 29 -6.052 12.395 -18.552 1.00 0.00 N ATOM 462 CA VAL A 29 -5.884 11.878 -17.197 1.00 0.00 C ATOM 463 C VAL A 29 -7.196 11.953 -16.392 1.00 0.00 C ATOM 464 O VAL A 29 -7.564 10.974 -15.742 1.00 0.00 O ATOM 465 CB VAL A 29 -4.647 12.547 -16.529 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.905 13.972 -16.016 1.00 0.00 C ATOM 467 CG2 VAL A 29 -4.105 11.669 -15.396 1.00 0.00 C ATOM 0 H VAL A 29 -5.339 13.077 -18.810 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.664 10.811 -17.227 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.901 12.639 -17.318 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.995 14.367 -15.565 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.204 14.610 -16.848 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.700 13.952 -15.270 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.241 12.154 -14.942 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.880 11.528 -14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.808 10.700 -15.797 1.00 0.00 H new ATOM 477 N LYS A 30 -7.964 13.047 -16.513 1.00 0.00 N ATOM 478 CA LYS A 30 -9.236 13.236 -15.801 1.00 0.00 C ATOM 479 C LYS A 30 -10.237 12.117 -16.083 1.00 0.00 C ATOM 480 O LYS A 30 -10.969 11.705 -15.186 1.00 0.00 O ATOM 481 CB LYS A 30 -9.881 14.572 -16.180 1.00 0.00 C ATOM 482 CG LYS A 30 -9.052 15.739 -15.638 1.00 0.00 C ATOM 483 CD LYS A 30 -9.694 17.089 -15.949 1.00 0.00 C ATOM 484 CE LYS A 30 -10.977 17.342 -15.141 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.579 18.665 -15.443 1.00 0.00 N ATOM 0 H LYS A 30 -7.716 13.833 -17.114 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.991 13.223 -14.739 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.963 14.649 -17.264 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.894 14.620 -15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.937 15.632 -14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.052 15.705 -16.070 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.977 17.883 -15.741 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.925 17.139 -17.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.702 16.557 -15.358 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.751 17.282 -14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.441 18.792 -14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.899 19.417 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.819 18.714 -16.454 1.00 0.00 H new ATOM 499 N GLU A 31 -10.279 11.632 -17.323 1.00 0.00 N ATOM 500 CA GLU A 31 -11.311 10.717 -17.797 1.00 0.00 C ATOM 501 C GLU A 31 -10.905 9.253 -17.578 1.00 0.00 C ATOM 502 O GLU A 31 -11.694 8.350 -17.865 1.00 0.00 O ATOM 503 CB GLU A 31 -11.569 10.982 -19.294 1.00 0.00 C ATOM 504 CG GLU A 31 -12.037 12.412 -19.614 1.00 0.00 C ATOM 505 CD GLU A 31 -13.369 12.767 -18.927 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.441 12.334 -19.409 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.362 13.500 -17.913 1.00 0.00 O ATOM 0 H GLU A 31 -9.587 11.868 -18.034 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.223 10.892 -17.227 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.653 10.779 -19.850 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.321 10.278 -19.651 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.270 13.120 -19.300 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.148 12.521 -20.693 1.00 0.00 H new ATOM 514 N ARG A 32 -9.686 9.000 -17.080 1.00 0.00 N ATOM 515 CA ARG A 32 -9.082 7.665 -17.067 1.00 0.00 C ATOM 516 C ARG A 32 -8.487 7.296 -15.710 1.00 0.00 C ATOM 517 O ARG A 32 -8.430 6.110 -15.380 1.00 0.00 O ATOM 518 CB ARG A 32 -7.992 7.632 -18.147 1.00 0.00 C ATOM 519 CG ARG A 32 -8.510 7.775 -19.589 1.00 0.00 C ATOM 520 CD ARG A 32 -7.329 7.847 -20.567 1.00 0.00 C ATOM 521 NE ARG A 32 -7.768 7.886 -21.972 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.118 6.849 -22.742 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.164 5.607 -22.264 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.417 7.098 -24.008 1.00 0.00 N ATOM 0 H ARG A 32 -9.090 9.721 -16.673 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.862 6.930 -17.267 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.280 8.434 -17.950 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.445 6.693 -18.063 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.149 6.929 -19.840 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.121 8.673 -19.677 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.734 8.734 -20.350 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.681 6.984 -20.415 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.810 8.807 -22.407 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.929 5.427 -21.288 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.434 4.835 -22.874 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.376 8.053 -24.363 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.689 6.335 -24.628 1.00 0.00 H new ATOM 538 N ILE A 33 -8.074 8.274 -14.900 1.00 0.00 N ATOM 539 CA ILE A 33 -7.529 8.012 -13.572 1.00 0.00 C ATOM 540 C ILE A 33 -8.557 7.281 -12.697 1.00 0.00 C ATOM 541 O ILE A 33 -8.173 6.392 -11.943 1.00 0.00 O ATOM 542 CB ILE A 33 -7.016 9.327 -12.942 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.125 9.052 -11.711 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.171 10.292 -12.603 1.00 0.00 C ATOM 545 CD1 ILE A 33 -4.773 8.419 -12.066 1.00 0.00 C ATOM 0 H ILE A 33 -8.109 9.263 -15.147 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.672 7.344 -13.653 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.397 9.822 -13.690 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.951 9.989 -11.181 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.658 8.392 -11.026 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.766 11.203 -12.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.717 10.540 -13.513 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.847 9.815 -11.893 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.198 8.253 -11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.938 7.466 -12.569 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.221 9.087 -12.727 1.00 0.00 H new ATOM 557 N ALA A 34 -9.853 7.595 -12.833 1.00 0.00 N ATOM 558 CA ALA A 34 -10.902 6.993 -12.018 1.00 0.00 C ATOM 559 C ALA A 34 -10.986 5.481 -12.249 1.00 0.00 C ATOM 560 O ALA A 34 -11.165 4.725 -11.296 1.00 0.00 O ATOM 561 CB ALA A 34 -12.245 7.665 -12.327 1.00 0.00 C ATOM 0 H ALA A 34 -10.197 8.274 -13.512 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.658 7.150 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.027 7.213 -11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.179 8.730 -12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.485 7.531 -13.382 1.00 0.00 H new ATOM 567 N THR A 35 -10.844 5.032 -13.497 1.00 0.00 N ATOM 568 CA THR A 35 -10.819 3.616 -13.836 1.00 0.00 C ATOM 569 C THR A 35 -9.492 2.968 -13.412 1.00 0.00 C ATOM 570 O THR A 35 -9.492 1.819 -12.966 1.00 0.00 O ATOM 571 CB THR A 35 -11.105 3.444 -15.345 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.665 4.552 -16.117 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.613 3.326 -15.591 1.00 0.00 C ATOM 0 H THR A 35 -10.743 5.648 -14.303 1.00 0.00 H new ATOM 0 HA THR A 35 -11.601 3.096 -13.283 1.00 0.00 H new ATOM 0 HB THR A 35 -10.565 2.546 -15.645 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.795 4.857 -15.785 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.799 3.205 -16.658 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.003 2.461 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.111 4.228 -15.235 1.00 0.00 H new ATOM 581 N ALA A 36 -8.366 3.689 -13.517 1.00 0.00 N ATOM 582 CA ALA A 36 -7.054 3.161 -13.157 1.00 0.00 C ATOM 583 C ALA A 36 -6.913 2.977 -11.640 1.00 0.00 C ATOM 584 O ALA A 36 -6.377 1.962 -11.195 1.00 0.00 O ATOM 585 CB ALA A 36 -5.963 4.097 -13.688 1.00 0.00 C ATOM 0 H ALA A 36 -8.345 4.652 -13.854 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.944 2.177 -13.613 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.983 3.703 -13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.041 4.168 -14.773 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.088 5.087 -13.250 1.00 0.00 H new ATOM 591 N VAL A 37 -7.391 3.945 -10.852 1.00 0.00 N ATOM 592 CA VAL A 37 -7.239 4.006 -9.403 1.00 0.00 C ATOM 593 C VAL A 37 -8.547 4.563 -8.803 1.00 0.00 C ATOM 594 O VAL A 37 -8.650 5.770 -8.561 1.00 0.00 O ATOM 595 CB VAL A 37 -5.980 4.791 -8.985 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.597 4.425 -7.544 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.745 4.577 -9.883 1.00 0.00 C ATOM 0 H VAL A 37 -7.914 4.737 -11.225 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.076 3.006 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.257 5.840 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.707 4.982 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.419 4.677 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.393 3.356 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.913 5.172 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.469 3.523 -9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.978 4.885 -10.902 1.00 0.00 H new ATOM 607 N PRO A 38 -9.577 3.716 -8.607 1.00 0.00 N ATOM 608 CA PRO A 38 -10.843 4.128 -8.005 1.00 0.00 C ATOM 609 C PRO A 38 -10.678 4.716 -6.597 1.00 0.00 C ATOM 610 O PRO A 38 -11.383 5.659 -6.235 1.00 0.00 O ATOM 611 CB PRO A 38 -11.720 2.870 -7.969 1.00 0.00 C ATOM 612 CG PRO A 38 -11.130 1.974 -9.056 1.00 0.00 C ATOM 613 CD PRO A 38 -9.644 2.321 -9.022 1.00 0.00 C ATOM 0 HA PRO A 38 -11.291 4.928 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.685 2.388 -6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.765 3.106 -8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.302 0.918 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.570 2.181 -10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.107 1.678 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.186 2.181 -10.001 1.00 0.00 H new ATOM 621 N ASP A 39 -9.765 4.158 -5.792 1.00 0.00 N ATOM 622 CA ASP A 39 -9.458 4.649 -4.450 1.00 0.00 C ATOM 623 C ASP A 39 -8.543 5.861 -4.570 1.00 0.00 C ATOM 624 O ASP A 39 -7.324 5.734 -4.698 1.00 0.00 O ATOM 625 CB ASP A 39 -8.823 3.547 -3.590 1.00 0.00 C ATOM 626 CG ASP A 39 -8.445 4.022 -2.173 1.00 0.00 C ATOM 627 OD1 ASP A 39 -8.608 5.216 -1.829 1.00 0.00 O ATOM 628 OD2 ASP A 39 -7.996 3.176 -1.370 1.00 0.00 O ATOM 0 H ASP A 39 -9.214 3.343 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.380 4.945 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.518 2.711 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.930 3.174 -4.091 1.00 0.00 H new ATOM 633 N LYS A 40 -9.137 7.054 -4.535 1.00 0.00 N ATOM 634 CA LYS A 40 -8.411 8.309 -4.708 1.00 0.00 C ATOM 635 C LYS A 40 -7.483 8.645 -3.529 1.00 0.00 C ATOM 636 O LYS A 40 -6.776 9.657 -3.576 1.00 0.00 O ATOM 637 CB LYS A 40 -9.393 9.453 -5.007 1.00 0.00 C ATOM 638 CG LYS A 40 -10.439 9.122 -6.087 1.00 0.00 C ATOM 639 CD LYS A 40 -11.153 10.362 -6.647 1.00 0.00 C ATOM 640 CE LYS A 40 -11.971 11.105 -5.581 1.00 0.00 C ATOM 641 NZ LYS A 40 -12.783 12.199 -6.170 1.00 0.00 N ATOM 0 H LYS A 40 -10.139 7.176 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.750 8.181 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.911 9.722 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.827 10.329 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.950 8.593 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.181 8.443 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.414 11.042 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.813 10.060 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.627 10.400 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.298 11.517 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.333 12.665 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.154 12.894 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.431 11.806 -6.882 1.00 0.00 H new ATOM 655 N ASN A 41 -7.481 7.827 -2.472 1.00 0.00 N ATOM 656 CA ASN A 41 -6.577 7.943 -1.333 1.00 0.00 C ATOM 657 C ASN A 41 -5.415 6.947 -1.446 1.00 0.00 C ATOM 658 O ASN A 41 -4.480 7.030 -0.651 1.00 0.00 O ATOM 659 CB ASN A 41 -7.372 7.828 -0.011 1.00 0.00 C ATOM 660 CG ASN A 41 -6.898 6.717 0.927 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.250 6.974 1.938 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.228 5.473 0.626 1.00 0.00 N ATOM 0 H ASN A 41 -8.129 7.044 -2.387 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.114 8.930 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.312 8.780 0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.423 7.660 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.944 4.708 1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.767 5.278 -0.218 1.00 0.00 H new ATOM 669 N ASP A 42 -5.420 6.033 -2.420 1.00 0.00 N ATOM 670 CA ASP A 42 -4.245 5.212 -2.708 1.00 0.00 C ATOM 671 C ASP A 42 -3.125 6.104 -3.259 1.00 0.00 C ATOM 672 O ASP A 42 -3.411 7.139 -3.870 1.00 0.00 O ATOM 673 CB ASP A 42 -4.599 4.104 -3.704 1.00 0.00 C ATOM 674 CG ASP A 42 -3.500 3.040 -3.736 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.220 2.469 -2.659 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.944 2.758 -4.819 1.00 0.00 O ATOM 0 H ASP A 42 -6.223 5.845 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.900 4.738 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.548 3.646 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.730 4.530 -4.699 1.00 0.00 H new ATOM 681 N THR A 43 -1.856 5.751 -3.039 1.00 0.00 N ATOM 682 CA THR A 43 -0.746 6.604 -3.464 1.00 0.00 C ATOM 683 C THR A 43 -0.598 6.508 -4.990 1.00 0.00 C ATOM 684 O THR A 43 -0.553 5.404 -5.535 1.00 0.00 O ATOM 685 CB THR A 43 0.558 6.231 -2.728 1.00 0.00 C ATOM 686 OG1 THR A 43 0.313 5.897 -1.374 1.00 0.00 O ATOM 687 CG2 THR A 43 1.578 7.373 -2.768 1.00 0.00 C ATOM 0 H THR A 43 -1.574 4.888 -2.573 1.00 0.00 H new ATOM 0 HA THR A 43 -0.959 7.640 -3.200 1.00 0.00 H new ATOM 0 HB THR A 43 0.964 5.365 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.067 4.951 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.482 7.072 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.824 7.605 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.155 8.256 -2.289 1.00 0.00 H new ATOM 695 N VAL A 44 -0.488 7.642 -5.685 1.00 0.00 N ATOM 696 CA VAL A 44 -0.422 7.699 -7.144 1.00 0.00 C ATOM 697 C VAL A 44 0.768 8.581 -7.504 1.00 0.00 C ATOM 698 O VAL A 44 0.688 9.812 -7.503 1.00 0.00 O ATOM 699 CB VAL A 44 -1.779 8.157 -7.729 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.728 8.465 -9.235 1.00 0.00 C ATOM 701 CG2 VAL A 44 -2.861 7.091 -7.513 1.00 0.00 C ATOM 0 H VAL A 44 -0.442 8.560 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.256 6.720 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.017 9.076 -7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.714 8.780 -9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.009 9.263 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.425 7.571 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.804 7.439 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.563 6.165 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.985 6.910 -6.445 1.00 0.00 H new ATOM 711 N LYS A 45 1.903 7.939 -7.774 1.00 0.00 N ATOM 712 CA LYS A 45 3.055 8.624 -8.336 1.00 0.00 C ATOM 713 C LYS A 45 2.763 8.896 -9.806 1.00 0.00 C ATOM 714 O LYS A 45 2.347 7.989 -10.533 1.00 0.00 O ATOM 715 CB LYS A 45 4.305 7.748 -8.180 1.00 0.00 C ATOM 716 CG LYS A 45 4.859 7.816 -6.749 1.00 0.00 C ATOM 717 CD LYS A 45 5.915 6.728 -6.532 1.00 0.00 C ATOM 718 CE LYS A 45 6.632 6.916 -5.189 1.00 0.00 C ATOM 719 NZ LYS A 45 7.506 5.761 -4.872 1.00 0.00 N ATOM 0 H LYS A 45 2.045 6.942 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 45 3.240 9.564 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.061 6.715 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.070 8.074 -8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.297 8.798 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.047 7.692 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.442 5.746 -6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.642 6.756 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.229 7.828 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.895 7.044 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.800 5.812 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.984 4.876 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.347 5.784 -5.483 1.00 0.00 H new ATOM 733 N VAL A 46 3.047 10.112 -10.252 1.00 0.00 N ATOM 734 CA VAL A 46 3.042 10.487 -11.660 1.00 0.00 C ATOM 735 C VAL A 46 4.447 10.971 -12.024 1.00 0.00 C ATOM 736 O VAL A 46 5.132 11.554 -11.183 1.00 0.00 O ATOM 737 CB VAL A 46 1.926 11.513 -11.965 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.538 10.874 -11.832 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.940 12.774 -11.087 1.00 0.00 C ATOM 0 H VAL A 46 3.293 10.883 -9.631 1.00 0.00 H new ATOM 0 HA VAL A 46 2.805 9.630 -12.290 1.00 0.00 H new ATOM 0 HB VAL A 46 2.134 11.824 -12.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.228 11.618 -12.052 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.450 10.045 -12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.403 10.505 -10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.120 13.430 -11.379 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.823 12.490 -10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.887 13.298 -11.217 1.00 0.00 H new ATOM 749 N TYR A 47 4.882 10.732 -13.262 1.00 0.00 N ATOM 750 CA TYR A 47 6.156 11.190 -13.804 1.00 0.00 C ATOM 751 C TYR A 47 5.961 11.490 -15.294 1.00 0.00 C ATOM 752 O TYR A 47 4.972 11.046 -15.892 1.00 0.00 O ATOM 753 CB TYR A 47 7.260 10.137 -13.594 1.00 0.00 C ATOM 754 CG TYR A 47 7.222 9.024 -14.620 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.296 7.972 -14.499 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.042 9.113 -15.760 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.203 7.004 -15.511 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.954 8.145 -16.770 1.00 0.00 C ATOM 759 CZ TYR A 47 7.042 7.076 -16.644 1.00 0.00 C ATOM 760 OH TYR A 47 6.975 6.115 -17.607 1.00 0.00 O ATOM 0 H TYR A 47 4.336 10.195 -13.936 1.00 0.00 H new ATOM 0 HA TYR A 47 6.475 12.092 -13.282 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.233 10.627 -13.634 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.160 9.708 -12.597 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.658 7.909 -13.630 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.742 9.930 -15.857 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.487 6.201 -15.423 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.584 8.217 -17.644 1.00 0.00 H new ATOM 0 HH TYR A 47 7.434 6.428 -18.414 1.00 0.00 H new ATOM 770 N CYS A 48 6.894 12.237 -15.888 1.00 0.00 N ATOM 771 CA CYS A 48 6.868 12.693 -17.276 1.00 0.00 C ATOM 772 C CYS A 48 8.282 13.075 -17.720 1.00 0.00 C ATOM 773 O CYS A 48 9.230 13.001 -16.938 1.00 0.00 O ATOM 774 CB CYS A 48 5.961 13.933 -17.364 1.00 0.00 C ATOM 775 SG CYS A 48 4.264 13.434 -17.706 1.00 0.00 S ATOM 0 H CYS A 48 7.726 12.554 -15.390 1.00 0.00 H new ATOM 0 HA CYS A 48 6.491 11.898 -17.920 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.003 14.491 -16.429 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.318 14.599 -18.149 1.00 0.00 H new ATOM 0 HG CYS A 48 4.007 12.318 -17.091 1.00 0.00 H new ATOM 781 N ASN A 49 8.422 13.542 -18.964 1.00 0.00 N ATOM 782 CA ASN A 49 9.642 14.199 -19.424 1.00 0.00 C ATOM 783 C ASN A 49 9.823 15.474 -18.593 1.00 0.00 C ATOM 784 O ASN A 49 8.860 16.224 -18.419 1.00 0.00 O ATOM 785 CB ASN A 49 9.530 14.554 -20.914 1.00 0.00 C ATOM 786 CG ASN A 49 10.736 15.368 -21.373 1.00 0.00 C ATOM 787 OD1 ASN A 49 10.662 16.584 -21.517 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.874 14.728 -21.585 1.00 0.00 N ATOM 0 H ASN A 49 7.694 13.474 -19.676 1.00 0.00 H new ATOM 0 HA ASN A 49 10.498 13.535 -19.302 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.457 13.641 -21.505 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.616 15.121 -21.089 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.705 15.246 -21.872 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.921 13.717 -21.461 1.00 0.00 H new ATOM 795 N ALA A 50 11.032 15.702 -18.070 1.00 0.00 N ATOM 796 CA ALA A 50 11.432 16.830 -17.218 1.00 0.00 C ATOM 797 C ALA A 50 10.579 17.072 -15.953 1.00 0.00 C ATOM 798 O ALA A 50 10.864 18.009 -15.206 1.00 0.00 O ATOM 799 CB ALA A 50 11.568 18.098 -18.077 1.00 0.00 C ATOM 0 H ALA A 50 11.809 15.063 -18.241 1.00 0.00 H new ATOM 0 HA ALA A 50 12.398 16.550 -16.798 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.865 18.935 -17.445 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.324 17.937 -18.846 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.612 18.321 -18.550 1.00 0.00 H new ATOM 805 N GLY A 51 9.551 16.262 -15.682 1.00 0.00 N ATOM 806 CA GLY A 51 8.718 16.343 -14.485 1.00 0.00 C ATOM 807 C GLY A 51 7.670 17.460 -14.522 1.00 0.00 C ATOM 808 O GLY A 51 6.817 17.506 -13.636 1.00 0.00 O ATOM 0 H GLY A 51 9.270 15.510 -16.311 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.210 15.389 -14.344 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.361 16.493 -13.618 1.00 0.00 H new ATOM 812 N ARG A 52 7.691 18.353 -15.521 1.00 0.00 N ATOM 813 CA ARG A 52 6.709 19.430 -15.657 1.00 0.00 C ATOM 814 C ARG A 52 5.323 18.840 -15.866 1.00 0.00 C ATOM 815 O ARG A 52 4.410 19.153 -15.111 1.00 0.00 O ATOM 816 CB ARG A 52 7.099 20.384 -16.803 1.00 0.00 C ATOM 817 CG ARG A 52 5.953 21.362 -17.123 1.00 0.00 C ATOM 818 CD ARG A 52 6.332 22.388 -18.186 1.00 0.00 C ATOM 819 NE ARG A 52 5.117 23.032 -18.716 1.00 0.00 N ATOM 820 CZ ARG A 52 5.062 24.156 -19.439 1.00 0.00 C ATOM 821 NH1 ARG A 52 6.171 24.826 -19.743 1.00 0.00 N ATOM 822 NH2 ARG A 52 3.881 24.601 -19.857 1.00 0.00 N ATOM 0 H ARG A 52 8.394 18.346 -16.260 1.00 0.00 H new ATOM 0 HA ARG A 52 6.694 20.018 -14.739 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.993 20.944 -16.527 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.348 19.806 -17.693 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.084 20.798 -17.462 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.660 21.882 -16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.996 23.140 -17.758 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.879 21.902 -18.994 1.00 0.00 H new ATOM 0 HE ARG A 52 4.229 22.575 -18.511 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.077 24.484 -19.424 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.115 25.682 -20.295 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.031 24.087 -19.626 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.825 25.457 -20.409 1.00 0.00 H new ATOM 836 N GLN A 53 5.151 18.013 -16.898 1.00 0.00 N ATOM 837 CA GLN A 53 3.830 17.549 -17.313 1.00 0.00 C ATOM 838 C GLN A 53 3.184 16.683 -16.221 1.00 0.00 C ATOM 839 O GLN A 53 1.966 16.717 -16.062 1.00 0.00 O ATOM 840 CB GLN A 53 3.921 16.831 -18.673 1.00 0.00 C ATOM 841 CG GLN A 53 4.380 17.757 -19.812 1.00 0.00 C ATOM 842 CD GLN A 53 4.441 17.019 -21.152 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.497 16.565 -21.589 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.315 16.869 -21.833 1.00 0.00 N ATOM 0 H GLN A 53 5.917 17.649 -17.464 1.00 0.00 H new ATOM 0 HA GLN A 53 3.174 18.409 -17.449 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.615 15.995 -18.590 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.946 16.413 -18.923 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.696 18.602 -19.893 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.363 18.165 -19.576 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.442 17.248 -21.465 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.321 16.375 -22.725 1.00 0.00 H new ATOM 853 N SER A 54 3.969 15.974 -15.405 1.00 0.00 N ATOM 854 CA SER A 54 3.454 15.261 -14.245 1.00 0.00 C ATOM 855 C SER A 54 3.147 16.220 -13.096 1.00 0.00 C ATOM 856 O SER A 54 2.171 16.007 -12.382 1.00 0.00 O ATOM 857 CB SER A 54 4.433 14.162 -13.848 1.00 0.00 C ATOM 858 OG SER A 54 5.778 14.589 -13.960 1.00 0.00 O ATOM 0 H SER A 54 4.977 15.882 -15.534 1.00 0.00 H new ATOM 0 HA SER A 54 2.506 14.788 -14.502 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.235 13.852 -12.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.275 13.289 -14.481 1.00 0.00 H new ATOM 0 HG SER A 54 6.176 14.656 -13.067 1.00 0.00 H new ATOM 864 N GLY A 55 3.912 17.302 -12.946 1.00 0.00 N ATOM 865 CA GLY A 55 3.583 18.411 -12.062 1.00 0.00 C ATOM 866 C GLY A 55 2.197 18.969 -12.398 1.00 0.00 C ATOM 867 O GLY A 55 1.349 19.111 -11.515 1.00 0.00 O ATOM 0 H GLY A 55 4.792 17.430 -13.446 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.606 18.077 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.332 19.197 -12.160 1.00 0.00 H new ATOM 871 N GLN A 56 1.933 19.205 -13.688 1.00 0.00 N ATOM 872 CA GLN A 56 0.635 19.656 -14.178 1.00 0.00 C ATOM 873 C GLN A 56 -0.444 18.610 -13.882 1.00 0.00 C ATOM 874 O GLN A 56 -1.503 18.951 -13.357 1.00 0.00 O ATOM 875 CB GLN A 56 0.692 19.943 -15.686 1.00 0.00 C ATOM 876 CG GLN A 56 1.671 21.079 -16.046 1.00 0.00 C ATOM 877 CD GLN A 56 1.617 21.508 -17.516 1.00 0.00 C ATOM 878 OE1 GLN A 56 2.640 21.569 -18.196 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.449 21.848 -18.039 1.00 0.00 N ATOM 0 H GLN A 56 2.626 19.085 -14.426 1.00 0.00 H new ATOM 0 HA GLN A 56 0.380 20.580 -13.659 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.988 19.035 -16.212 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.306 20.205 -16.038 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.455 21.943 -15.418 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.686 20.759 -15.809 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.398 21.796 -17.473 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.396 22.161 -19.008 1.00 0.00 H new ATOM 888 N ALA A 57 -0.179 17.329 -14.164 1.00 0.00 N ATOM 889 CA ALA A 57 -1.133 16.269 -13.863 1.00 0.00 C ATOM 890 C ALA A 57 -1.444 16.219 -12.370 1.00 0.00 C ATOM 891 O ALA A 57 -2.578 15.941 -11.994 1.00 0.00 O ATOM 892 CB ALA A 57 -0.603 14.911 -14.321 1.00 0.00 C ATOM 0 H ALA A 57 0.686 17.008 -14.598 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.051 16.493 -14.407 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.333 14.137 -14.085 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.431 14.932 -15.397 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.334 14.694 -13.808 1.00 0.00 H new ATOM 898 N LYS A 58 -0.463 16.498 -11.511 1.00 0.00 N ATOM 899 CA LYS A 58 -0.651 16.391 -10.066 1.00 0.00 C ATOM 900 C LYS A 58 -1.691 17.409 -9.615 1.00 0.00 C ATOM 901 O LYS A 58 -2.578 17.052 -8.838 1.00 0.00 O ATOM 902 CB LYS A 58 0.697 16.522 -9.326 1.00 0.00 C ATOM 903 CG LYS A 58 0.612 16.151 -7.834 1.00 0.00 C ATOM 904 CD LYS A 58 0.210 17.312 -6.908 1.00 0.00 C ATOM 905 CE LYS A 58 -0.168 16.761 -5.527 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.885 17.760 -4.697 1.00 0.00 N ATOM 0 H LYS A 58 0.470 16.800 -11.792 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.033 15.403 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.433 15.881 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.056 17.547 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.109 15.342 -7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.580 15.766 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.034 18.019 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.631 17.857 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.795 15.878 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.735 16.441 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.969 17.406 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.355 18.655 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.834 17.921 -5.090 1.00 0.00 H new ATOM 920 N GLU A 59 -1.626 18.657 -10.087 1.00 0.00 N ATOM 921 CA GLU A 59 -2.623 19.654 -9.700 1.00 0.00 C ATOM 922 C GLU A 59 -3.996 19.332 -10.308 1.00 0.00 C ATOM 923 O GLU A 59 -5.006 19.543 -9.636 1.00 0.00 O ATOM 924 CB GLU A 59 -2.156 21.094 -9.974 1.00 0.00 C ATOM 925 CG GLU A 59 -1.821 21.420 -11.433 1.00 0.00 C ATOM 926 CD GLU A 59 -1.523 22.918 -11.621 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.365 23.349 -11.420 1.00 0.00 O ATOM 928 OE2 GLU A 59 -2.444 23.685 -11.984 1.00 0.00 O ATOM 0 H GLU A 59 -0.907 18.995 -10.726 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.741 19.597 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.935 21.779 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.274 21.292 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.958 20.834 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.655 21.131 -12.073 1.00 0.00 H new ATOM 935 N ILE A 60 -4.057 18.744 -11.513 1.00 0.00 N ATOM 936 CA ILE A 60 -5.316 18.241 -12.070 1.00 0.00 C ATOM 937 C ILE A 60 -5.893 17.185 -11.121 1.00 0.00 C ATOM 938 O ILE A 60 -7.064 17.262 -10.755 1.00 0.00 O ATOM 939 CB ILE A 60 -5.122 17.683 -13.503 1.00 0.00 C ATOM 940 CG1 ILE A 60 -4.753 18.806 -14.498 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.383 16.949 -13.995 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.428 18.280 -15.905 1.00 0.00 C ATOM 0 H ILE A 60 -3.247 18.607 -12.118 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.025 19.064 -12.157 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.298 16.970 -13.457 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.580 19.513 -14.563 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.894 19.356 -14.114 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.213 16.570 -15.003 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.604 16.117 -13.327 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.226 17.640 -14.004 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.177 19.117 -16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.582 17.595 -15.851 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.295 17.755 -16.306 1.00 0.00 H new ATOM 954 N LEU A 61 -5.094 16.202 -10.702 1.00 0.00 N ATOM 955 CA LEU A 61 -5.587 15.120 -9.860 1.00 0.00 C ATOM 956 C LEU A 61 -5.966 15.625 -8.470 1.00 0.00 C ATOM 957 O LEU A 61 -6.910 15.109 -7.871 1.00 0.00 O ATOM 958 CB LEU A 61 -4.570 13.974 -9.768 1.00 0.00 C ATOM 959 CG LEU A 61 -4.316 13.213 -11.087 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.408 12.002 -10.839 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.622 12.749 -11.733 1.00 0.00 C ATOM 0 H LEU A 61 -4.103 16.136 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.489 14.728 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.622 14.378 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.915 13.263 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.824 13.905 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.238 11.476 -11.778 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.454 12.340 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.886 11.329 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.401 12.218 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.150 12.084 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.247 13.615 -11.952 1.00 0.00 H new ATOM 973 N SER A 62 -5.283 16.656 -7.974 1.00 0.00 N ATOM 974 CA SER A 62 -5.651 17.314 -6.730 1.00 0.00 C ATOM 975 C SER A 62 -7.043 17.950 -6.868 1.00 0.00 C ATOM 976 O SER A 62 -7.867 17.815 -5.964 1.00 0.00 O ATOM 977 CB SER A 62 -4.583 18.347 -6.349 1.00 0.00 C ATOM 978 OG SER A 62 -3.291 17.754 -6.300 1.00 0.00 O ATOM 0 H SER A 62 -4.460 17.055 -8.426 1.00 0.00 H new ATOM 0 HA SER A 62 -5.701 16.580 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.585 19.161 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.824 18.783 -5.379 1.00 0.00 H new ATOM 0 HG SER A 62 -2.949 17.639 -7.211 1.00 0.00 H new ATOM 984 N GLU A 63 -7.351 18.576 -8.012 1.00 0.00 N ATOM 985 CA GLU A 63 -8.674 19.135 -8.291 1.00 0.00 C ATOM 986 C GLU A 63 -9.722 18.015 -8.431 1.00 0.00 C ATOM 987 O GLU A 63 -10.850 18.164 -7.960 1.00 0.00 O ATOM 988 CB GLU A 63 -8.598 20.015 -9.553 1.00 0.00 C ATOM 989 CG GLU A 63 -9.847 20.876 -9.794 1.00 0.00 C ATOM 990 CD GLU A 63 -10.023 21.976 -8.730 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.426 23.068 -8.871 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.779 21.774 -7.753 1.00 0.00 O ATOM 0 H GLU A 63 -6.683 18.708 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.991 19.759 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.729 20.668 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.439 19.374 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.782 21.336 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.729 20.236 -9.799 1.00 0.00 H new ATOM 999 N MET A 64 -9.343 16.865 -9.007 1.00 0.00 N ATOM 1000 CA MET A 64 -10.173 15.655 -9.058 1.00 0.00 C ATOM 1001 C MET A 64 -10.376 15.026 -7.667 1.00 0.00 C ATOM 1002 O MET A 64 -11.163 14.086 -7.531 1.00 0.00 O ATOM 1003 CB MET A 64 -9.571 14.619 -10.025 1.00 0.00 C ATOM 1004 CG MET A 64 -9.569 15.063 -11.495 1.00 0.00 C ATOM 1005 SD MET A 64 -11.200 15.219 -12.280 1.00 0.00 S ATOM 1006 CE MET A 64 -11.714 13.479 -12.332 1.00 0.00 C ATOM 0 H MET A 64 -8.435 16.749 -9.458 1.00 0.00 H new ATOM 0 HA MET A 64 -11.152 15.960 -9.426 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.547 14.405 -9.720 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.131 13.688 -9.938 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.061 16.025 -11.563 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.978 14.349 -12.069 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.602 13.380 -12.957 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.908 12.874 -12.748 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.941 13.136 -11.322 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.699 15.517 -6.625 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.922 15.113 -5.245 1.00 0.00 C ATOM 1018 C GLY A 65 -9.032 13.953 -4.803 1.00 0.00 C ATOM 1019 O GLY A 65 -9.300 13.361 -3.756 1.00 0.00 O ATOM 0 H GLY A 65 -8.967 16.220 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.745 15.967 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.967 14.828 -5.122 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.000 13.594 -5.576 1.00 0.00 N ATOM 1024 CA TYR A 66 -6.982 12.664 -5.099 1.00 0.00 C ATOM 1025 C TYR A 66 -6.185 13.358 -3.992 1.00 0.00 C ATOM 1026 O TYR A 66 -5.996 14.577 -4.034 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.070 12.192 -6.241 1.00 0.00 C ATOM 1028 CG TYR A 66 -6.715 11.205 -7.201 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -7.676 11.639 -8.133 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.388 9.836 -7.125 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -8.360 10.707 -8.934 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.067 8.898 -7.923 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.084 9.326 -8.804 1.00 0.00 C ATOM 1034 OH TYR A 66 -8.829 8.420 -9.494 1.00 0.00 O ATOM 0 H TYR A 66 -7.852 13.933 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.459 11.768 -4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.737 13.063 -6.806 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.180 11.732 -5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.889 12.693 -8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.612 9.506 -6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.096 11.046 -9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.811 7.851 -7.862 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.695 7.528 -9.112 1.00 0.00 H new ATOM 1044 N THR A 67 -5.702 12.586 -3.014 1.00 0.00 N ATOM 1045 CA THR A 67 -5.125 13.144 -1.786 1.00 0.00 C ATOM 1046 C THR A 67 -3.724 12.582 -1.475 1.00 0.00 C ATOM 1047 O THR A 67 -3.002 13.158 -0.658 1.00 0.00 O ATOM 1048 CB THR A 67 -6.175 13.008 -0.657 1.00 0.00 C ATOM 1049 OG1 THR A 67 -5.829 13.763 0.487 1.00 0.00 O ATOM 1050 CG2 THR A 67 -6.451 11.555 -0.249 1.00 0.00 C ATOM 0 H THR A 67 -5.699 11.567 -3.049 1.00 0.00 H new ATOM 0 HA THR A 67 -4.917 14.207 -1.906 1.00 0.00 H new ATOM 0 HB THR A 67 -7.094 13.410 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.519 13.650 1.174 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.196 11.536 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.824 11.000 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.529 11.096 0.107 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.277 11.536 -2.187 1.00 0.00 N ATOM 1059 CA HIS A 68 -1.918 10.991 -2.092 1.00 0.00 C ATOM 1060 C HIS A 68 -1.296 10.876 -3.492 1.00 0.00 C ATOM 1061 O HIS A 68 -0.550 9.943 -3.796 1.00 0.00 O ATOM 1062 CB HIS A 68 -1.918 9.677 -1.290 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.341 9.833 0.155 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.254 9.051 0.823 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.863 10.744 1.062 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.338 9.483 2.091 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.504 10.521 2.290 1.00 0.00 N ATOM 0 H HIS A 68 -3.863 11.037 -2.857 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.278 11.674 -1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.585 8.967 -1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.917 9.246 -1.320 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.779 8.274 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.120 11.503 0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.984 9.058 2.845 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.637 11.818 -4.372 1.00 0.00 N ATOM 1076 CA VAL A 69 -0.968 11.996 -5.652 1.00 0.00 C ATOM 1077 C VAL A 69 0.343 12.746 -5.413 1.00 0.00 C ATOM 1078 O VAL A 69 0.396 13.650 -4.575 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.888 12.738 -6.643 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -2.764 11.699 -7.343 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -2.779 13.827 -6.014 1.00 0.00 C ATOM 0 H VAL A 69 -2.393 12.483 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.741 11.029 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.238 13.270 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.426 12.198 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.131 10.989 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.361 11.167 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.389 14.291 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.428 13.377 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.151 14.584 -5.544 1.00 0.00 H new ATOM 1091 N GLU A 70 1.395 12.395 -6.153 1.00 0.00 N ATOM 1092 CA GLU A 70 2.715 12.988 -6.001 1.00 0.00 C ATOM 1093 C GLU A 70 3.393 13.034 -7.368 1.00 0.00 C ATOM 1094 O GLU A 70 3.456 12.019 -8.065 1.00 0.00 O ATOM 1095 CB GLU A 70 3.527 12.149 -4.997 1.00 0.00 C ATOM 1096 CG GLU A 70 4.927 12.728 -4.748 1.00 0.00 C ATOM 1097 CD GLU A 70 5.663 11.967 -3.630 1.00 0.00 C ATOM 1098 OE1 GLU A 70 6.372 10.979 -3.923 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.559 12.367 -2.447 1.00 0.00 O ATOM 0 H GLU A 70 1.349 11.683 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 70 2.644 14.006 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.986 12.094 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.620 11.129 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.511 12.679 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.844 13.781 -4.479 1.00 0.00 H new ATOM 1106 N ASN A 71 3.904 14.208 -7.755 1.00 0.00 N ATOM 1107 CA ASN A 71 4.783 14.311 -8.911 1.00 0.00 C ATOM 1108 C ASN A 71 6.147 13.800 -8.476 1.00 0.00 C ATOM 1109 O ASN A 71 6.859 14.470 -7.724 1.00 0.00 O ATOM 1110 CB ASN A 71 4.898 15.740 -9.447 1.00 0.00 C ATOM 1111 CG ASN A 71 5.927 15.795 -10.577 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.150 14.824 -11.293 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.578 16.921 -10.777 1.00 0.00 N ATOM 0 H ASN A 71 3.721 15.093 -7.283 1.00 0.00 H new ATOM 0 HA ASN A 71 4.370 13.721 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.928 16.080 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.192 16.416 -8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.267 16.986 -11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.394 17.729 -10.183 1.00 0.00 H new ATOM 1120 N ALA A 72 6.476 12.590 -8.907 1.00 0.00 N ATOM 1121 CA ALA A 72 7.684 11.900 -8.510 1.00 0.00 C ATOM 1122 C ALA A 72 8.938 12.561 -9.095 1.00 0.00 C ATOM 1123 O ALA A 72 9.997 12.483 -8.470 1.00 0.00 O ATOM 1124 CB ALA A 72 7.557 10.449 -8.962 1.00 0.00 C ATOM 0 H ALA A 72 5.897 12.055 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 72 7.798 11.949 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.454 9.899 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.687 9.995 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.439 10.414 -10.045 1.00 0.00 H new ATOM 1130 N GLY A 73 8.837 13.207 -10.264 1.00 0.00 N ATOM 1131 CA GLY A 73 9.955 13.863 -10.932 1.00 0.00 C ATOM 1132 C GLY A 73 9.943 13.584 -12.432 1.00 0.00 C ATOM 1133 O GLY A 73 8.950 13.096 -12.980 1.00 0.00 O ATOM 0 H GLY A 73 7.958 13.286 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.905 14.938 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.894 13.514 -10.502 1.00 0.00 H new ATOM 1137 N GLY A 74 11.058 13.895 -13.098 1.00 0.00 N ATOM 1138 CA GLY A 74 11.281 13.491 -14.479 1.00 0.00 C ATOM 1139 C GLY A 74 11.618 12.003 -14.546 1.00 0.00 C ATOM 1140 O GLY A 74 12.146 11.458 -13.579 1.00 0.00 O ATOM 0 H GLY A 74 11.825 14.431 -12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.391 13.697 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.094 14.075 -14.910 1.00 0.00 H new ATOM 1144 N LEU A 75 11.375 11.350 -15.689 1.00 0.00 N ATOM 1145 CA LEU A 75 11.632 9.916 -15.911 1.00 0.00 C ATOM 1146 C LEU A 75 13.000 9.468 -15.383 1.00 0.00 C ATOM 1147 O LEU A 75 13.082 8.486 -14.648 1.00 0.00 O ATOM 1148 CB LEU A 75 11.478 9.612 -17.418 1.00 0.00 C ATOM 1149 CG LEU A 75 11.989 8.233 -17.900 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.349 7.025 -17.205 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.747 8.118 -19.408 1.00 0.00 C ATOM 0 H LEU A 75 10.984 11.814 -16.509 1.00 0.00 H new ATOM 0 HA LEU A 75 10.900 9.343 -15.342 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.422 9.694 -17.676 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.004 10.385 -17.978 1.00 0.00 H new ATOM 0 HG LEU A 75 13.048 8.200 -17.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.772 6.106 -17.611 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.547 7.074 -16.134 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.272 7.035 -17.375 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.103 7.150 -19.761 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.680 8.209 -19.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.285 8.913 -19.925 1.00 0.00 H new ATOM 1163 N LYS A 76 14.071 10.187 -15.730 1.00 0.00 N ATOM 1164 CA LYS A 76 15.428 9.841 -15.296 1.00 0.00 C ATOM 1165 C LYS A 76 15.611 9.993 -13.782 1.00 0.00 C ATOM 1166 O LYS A 76 16.490 9.340 -13.218 1.00 0.00 O ATOM 1167 CB LYS A 76 16.454 10.703 -16.060 1.00 0.00 C ATOM 1168 CG LYS A 76 17.057 10.014 -17.295 1.00 0.00 C ATOM 1169 CD LYS A 76 16.046 9.477 -18.322 1.00 0.00 C ATOM 1170 CE LYS A 76 16.812 8.931 -19.537 1.00 0.00 C ATOM 1171 NZ LYS A 76 15.927 8.279 -20.533 1.00 0.00 N ATOM 0 H LYS A 76 14.023 11.020 -16.316 1.00 0.00 H new ATOM 0 HA LYS A 76 15.594 8.789 -15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.973 11.630 -16.373 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.261 10.977 -15.380 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.715 10.722 -17.798 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.679 9.185 -16.958 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.437 8.691 -17.876 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.365 10.270 -18.631 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.351 9.748 -20.017 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.558 8.213 -19.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.405 8.251 -21.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.713 7.309 -20.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.042 8.819 -20.617 1.00 0.00 H new ATOM 1185 N ASP A 77 14.824 10.845 -13.123 1.00 0.00 N ATOM 1186 CA ASP A 77 14.947 11.113 -11.694 1.00 0.00 C ATOM 1187 C ASP A 77 14.230 10.058 -10.849 1.00 0.00 C ATOM 1188 O ASP A 77 14.671 9.812 -9.726 1.00 0.00 O ATOM 1189 CB ASP A 77 14.407 12.508 -11.357 1.00 0.00 C ATOM 1190 CG ASP A 77 14.677 12.864 -9.885 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.856 13.066 -9.515 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.712 12.994 -9.100 1.00 0.00 O ATOM 0 H ASP A 77 14.076 11.373 -13.573 1.00 0.00 H new ATOM 0 HA ASP A 77 16.009 11.070 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.874 13.249 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.335 12.544 -11.553 1.00 0.00 H new ATOM 1197 N ILE A 78 13.165 9.412 -11.356 1.00 0.00 N ATOM 1198 CA ILE A 78 12.490 8.333 -10.630 1.00 0.00 C ATOM 1199 C ILE A 78 13.512 7.228 -10.318 1.00 0.00 C ATOM 1200 O ILE A 78 14.095 6.622 -11.224 1.00 0.00 O ATOM 1201 CB ILE A 78 11.232 7.829 -11.391 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.996 8.710 -11.111 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.834 6.402 -10.972 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.108 10.141 -11.628 1.00 0.00 C ATOM 0 H ILE A 78 12.757 9.622 -12.267 1.00 0.00 H new ATOM 0 HA ILE A 78 12.106 8.705 -9.680 1.00 0.00 H new ATOM 0 HB ILE A 78 11.511 7.865 -12.444 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.122 8.241 -11.563 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.822 8.738 -10.035 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.950 6.092 -11.530 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.656 5.718 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.614 6.384 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.196 10.687 -11.388 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.960 10.632 -11.158 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.249 10.127 -12.709 1.00 0.00 H new ATOM 1216 N ALA A 79 13.694 6.948 -9.024 1.00 0.00 N ATOM 1217 CA ALA A 79 14.612 5.947 -8.494 1.00 0.00 C ATOM 1218 C ALA A 79 13.936 4.566 -8.475 1.00 0.00 C ATOM 1219 O ALA A 79 13.828 3.928 -7.425 1.00 0.00 O ATOM 1220 CB ALA A 79 15.102 6.397 -7.109 1.00 0.00 C ATOM 0 H ALA A 79 13.182 7.436 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 79 15.488 5.852 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.789 5.653 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.615 7.354 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.249 6.504 -6.438 1.00 0.00 H new ATOM 1226 N MET A 80 13.443 4.120 -9.632 1.00 0.00 N ATOM 1227 CA MET A 80 12.842 2.802 -9.830 1.00 0.00 C ATOM 1228 C MET A 80 13.401 2.197 -11.122 1.00 0.00 C ATOM 1229 O MET A 80 13.815 2.961 -12.007 1.00 0.00 O ATOM 1230 CB MET A 80 11.313 2.901 -9.968 1.00 0.00 C ATOM 1231 CG MET A 80 10.585 3.390 -8.711 1.00 0.00 C ATOM 1232 SD MET A 80 8.813 3.723 -8.947 1.00 0.00 S ATOM 1233 CE MET A 80 8.227 2.121 -9.573 1.00 0.00 C ATOM 0 H MET A 80 13.452 4.684 -10.482 1.00 0.00 H new ATOM 0 HA MET A 80 13.078 2.183 -8.965 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.079 3.576 -10.792 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.922 1.920 -10.239 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.700 2.642 -7.926 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.069 4.300 -8.357 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.152 2.169 -9.746 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.735 1.888 -10.509 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.442 1.343 -8.840 1.00 0.00 H new ATOM 1243 N PRO A 81 13.389 0.856 -11.261 1.00 0.00 N ATOM 1244 CA PRO A 81 13.661 0.185 -12.526 1.00 0.00 C ATOM 1245 C PRO A 81 12.757 0.711 -13.644 1.00 0.00 C ATOM 1246 O PRO A 81 11.662 1.231 -13.392 1.00 0.00 O ATOM 1247 CB PRO A 81 13.417 -1.310 -12.277 1.00 0.00 C ATOM 1248 CG PRO A 81 13.598 -1.461 -10.770 1.00 0.00 C ATOM 1249 CD PRO A 81 13.087 -0.128 -10.230 1.00 0.00 C ATOM 0 HA PRO A 81 14.684 0.371 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.418 -1.610 -12.592 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.125 -1.928 -12.829 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.027 -2.302 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.641 -1.632 -10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.016 -0.171 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.576 0.127 -9.290 1.00 0.00 H new ATOM 1257 N LYS A 82 13.198 0.542 -14.891 1.00 0.00 N ATOM 1258 CA LYS A 82 12.499 1.029 -16.071 1.00 0.00 C ATOM 1259 C LYS A 82 12.508 -0.104 -17.084 1.00 0.00 C ATOM 1260 O LYS A 82 13.561 -0.692 -17.342 1.00 0.00 O ATOM 1261 CB LYS A 82 13.189 2.294 -16.617 1.00 0.00 C ATOM 1262 CG LYS A 82 13.097 3.472 -15.632 1.00 0.00 C ATOM 1263 CD LYS A 82 14.069 4.605 -15.979 1.00 0.00 C ATOM 1264 CE LYS A 82 14.065 5.677 -14.875 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.685 5.214 -13.604 1.00 0.00 N ATOM 0 H LYS A 82 14.067 0.054 -15.108 1.00 0.00 H new ATOM 0 HA LYS A 82 11.473 1.314 -15.840 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.237 2.075 -16.823 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.730 2.577 -17.564 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.078 3.860 -15.629 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.305 3.115 -14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.075 4.204 -16.101 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.788 5.054 -16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.598 6.558 -15.232 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.037 5.984 -14.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.531 5.927 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.252 4.314 -13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.706 5.076 -13.746 1.00 0.00 H new ATOM 1279 N VAL A 83 11.340 -0.433 -17.620 1.00 0.00 N ATOM 1280 CA VAL A 83 11.162 -1.503 -18.592 1.00 0.00 C ATOM 1281 C VAL A 83 11.163 -0.835 -19.969 1.00 0.00 C ATOM 1282 O VAL A 83 10.613 0.259 -20.124 1.00 0.00 O ATOM 1283 CB VAL A 83 9.856 -2.265 -18.276 1.00 0.00 C ATOM 1284 CG1 VAL A 83 9.659 -3.472 -19.205 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.834 -2.779 -16.823 1.00 0.00 C ATOM 0 H VAL A 83 10.471 0.047 -17.386 1.00 0.00 H new ATOM 0 HA VAL A 83 11.957 -2.248 -18.561 1.00 0.00 H new ATOM 0 HB VAL A 83 9.050 -1.547 -18.429 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.729 -3.980 -18.949 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.614 -3.131 -20.239 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.494 -4.162 -19.087 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.900 -3.310 -16.639 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.673 -3.456 -16.664 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.913 -1.935 -16.137 1.00 0.00 H new ATOM 1295 N LYS A 84 11.808 -1.451 -20.965 1.00 0.00 N ATOM 1296 CA LYS A 84 11.832 -0.909 -22.325 1.00 0.00 C ATOM 1297 C LYS A 84 10.422 -0.875 -22.922 1.00 0.00 C ATOM 1298 O LYS A 84 9.552 -1.658 -22.528 1.00 0.00 O ATOM 1299 CB LYS A 84 12.804 -1.694 -23.225 1.00 0.00 C ATOM 1300 CG LYS A 84 12.404 -3.163 -23.460 1.00 0.00 C ATOM 1301 CD LYS A 84 13.362 -3.899 -24.412 1.00 0.00 C ATOM 1302 CE LYS A 84 13.413 -3.332 -25.842 1.00 0.00 C ATOM 1303 NZ LYS A 84 12.125 -3.455 -26.571 1.00 0.00 N ATOM 0 H LYS A 84 12.320 -2.326 -20.853 1.00 0.00 H new ATOM 0 HA LYS A 84 12.198 0.116 -22.271 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.875 -1.190 -24.189 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.797 -1.667 -22.777 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.378 -3.685 -22.503 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.394 -3.198 -23.870 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.366 -3.870 -23.989 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.068 -4.947 -24.462 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.698 -2.281 -25.798 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.191 -3.850 -26.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.290 -3.331 -27.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.717 -4.396 -26.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.465 -2.725 -26.235 1.00 0.00 H new ATOM 1317 N GLY A 85 10.215 0.013 -23.895 1.00 0.00 N ATOM 1318 CA GLY A 85 9.020 0.005 -24.723 1.00 0.00 C ATOM 1319 C GLY A 85 8.923 -1.330 -25.453 1.00 0.00 C ATOM 1320 O GLY A 85 9.974 -1.843 -25.897 1.00 0.00 O ATOM 1321 OXT GLY A 85 7.799 -1.855 -25.587 1.00 0.00 O ATOM 0 H GLY A 85 10.874 0.756 -24.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.135 0.161 -24.106 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.056 0.824 -25.441 1.00 0.00 H new TER 1325 GLY A 85