USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 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 41 ASN : amide:sc= 0.42 K(o=0.87,f=-1.3) USER MOD Set 1.2: A 67 THR OG1 : rot 94:sc= 0.718 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -0.269 K(o=0.87,f=-1.5) USER MOD Set 2.1: A 48 CYS SG : rot 85:sc= 1.3 USER MOD Set 2.2: A 54 SER OG : rot 90:sc= 1.39 USER MOD Single : A 1 ALA N :NH3+ 162:sc= 1.21 (180deg=0.93) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.196 X(o=0.2,f=-0.15) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.873 K(o=0.87,f=-0.15) USER MOD Single : A 17 HIS : no HE2:sc= 0.446 K(o=0.45,f=-2.6) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 23 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.98) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.14) USER MOD Single : A 43 THR OG1 : rot 82:sc= 0.958 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.28) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.262 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 1.02 K(o=1,f=-8.1!) USER MOD Single : A 56 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.19) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 1.11 (180deg=1.01) USER MOD Single : A 62 SER OG : rot -89:sc= 1.25 USER MOD Single : A 64 MET CE :methyl 179:sc= 0 (180deg=-0.00247) USER MOD Single : A 66 TYR OH : rot -176:sc= 1.28 USER MOD Single : A 71 ASN : amide:sc= 0.56 K(o=0.56,f=0.043) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -177:sc= 0 (180deg=-0.0123) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 1.87 (180deg=1.77) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.005) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.822 -0.161 -3.259 1.00 0.00 N ATOM 2 CA ALA A 1 3.549 -0.889 -3.423 1.00 0.00 C ATOM 3 C ALA A 1 2.737 -0.213 -4.539 1.00 0.00 C ATOM 4 O ALA A 1 3.286 0.060 -5.613 1.00 0.00 O ATOM 5 CB ALA A 1 2.802 -1.007 -2.077 1.00 0.00 C ATOM 0 H1 ALA A 1 5.240 -0.396 -2.336 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.479 -0.436 -4.017 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.645 0.863 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 1 3.729 -1.919 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.867 -1.548 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.423 -1.546 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.587 -0.010 -1.691 1.00 0.00 H new ATOM 13 N GLU A 2 1.448 0.069 -4.322 1.00 0.00 N ATOM 14 CA GLU A 2 0.601 0.806 -5.248 1.00 0.00 C ATOM 15 C GLU A 2 -0.373 1.687 -4.461 1.00 0.00 C ATOM 16 O GLU A 2 -0.651 1.416 -3.287 1.00 0.00 O ATOM 17 CB GLU A 2 -0.149 -0.169 -6.181 1.00 0.00 C ATOM 18 CG GLU A 2 -1.156 -1.085 -5.463 1.00 0.00 C ATOM 19 CD GLU A 2 -1.865 -2.044 -6.435 1.00 0.00 C ATOM 20 OE1 GLU A 2 -1.218 -2.983 -6.953 1.00 0.00 O ATOM 21 OE2 GLU A 2 -3.086 -1.883 -6.657 1.00 0.00 O ATOM 0 H GLU A 2 0.959 -0.219 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 2 1.219 1.450 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.677 0.407 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.581 -0.789 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.637 -1.663 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.899 -0.474 -4.951 1.00 0.00 H new ATOM 28 N HIS A 3 -0.939 2.687 -5.137 1.00 0.00 N ATOM 29 CA HIS A 3 -2.051 3.511 -4.677 1.00 0.00 C ATOM 30 C HIS A 3 -2.911 3.831 -5.901 1.00 0.00 C ATOM 31 O HIS A 3 -2.394 3.870 -7.021 1.00 0.00 O ATOM 32 CB HIS A 3 -1.547 4.811 -4.025 1.00 0.00 C ATOM 33 CG HIS A 3 -0.881 4.632 -2.681 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.497 4.266 -1.503 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.436 4.863 -2.389 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.569 4.267 -0.531 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.632 4.630 -1.020 1.00 0.00 N ATOM 0 H HIS A 3 -0.616 2.956 -6.067 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.627 2.977 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.841 5.290 -4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.390 5.492 -3.909 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.195 5.172 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.760 4.012 0.501 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.506 4.718 -0.501 1.00 0.00 H new ATOM 45 N TRP A 4 -4.206 4.081 -5.689 1.00 0.00 N ATOM 46 CA TRP A 4 -5.180 4.335 -6.745 1.00 0.00 C ATOM 47 C TRP A 4 -5.598 5.790 -6.649 1.00 0.00 C ATOM 48 O TRP A 4 -6.277 6.171 -5.695 1.00 0.00 O ATOM 49 CB TRP A 4 -6.378 3.382 -6.611 1.00 0.00 C ATOM 50 CG TRP A 4 -6.081 1.977 -7.041 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.327 1.080 -6.365 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.450 1.316 -8.289 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.188 -0.072 -7.110 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.866 0.013 -8.306 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.198 1.699 -9.422 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.014 -0.861 -9.394 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.357 0.829 -10.516 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.769 -0.449 -10.504 1.00 0.00 C ATOM 0 H TRP A 4 -4.612 4.112 -4.754 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.745 4.150 -7.727 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.709 3.372 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.206 3.767 -7.206 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.898 1.242 -5.387 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.650 -0.886 -6.812 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.656 2.677 -9.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.553 -1.838 -9.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.935 1.145 -11.372 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.898 -1.112 -11.347 1.00 0.00 H new ATOM 69 N ILE A 5 -5.161 6.604 -7.606 1.00 0.00 N ATOM 70 CA ILE A 5 -5.412 8.035 -7.644 1.00 0.00 C ATOM 71 C ILE A 5 -6.422 8.209 -8.779 1.00 0.00 C ATOM 72 O ILE A 5 -6.117 7.944 -9.944 1.00 0.00 O ATOM 73 CB ILE A 5 -4.087 8.817 -7.841 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.153 8.856 -6.606 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.364 10.287 -8.197 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.721 7.511 -6.020 1.00 0.00 C ATOM 0 H ILE A 5 -4.608 6.274 -8.397 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.816 8.439 -6.716 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.590 8.267 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.255 9.411 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.653 9.423 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.419 10.813 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.939 10.335 -9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.930 10.756 -7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.071 7.680 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.602 6.952 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.182 6.941 -6.777 1.00 0.00 H new ATOM 88 N ASP A 6 -7.646 8.591 -8.433 1.00 0.00 N ATOM 89 CA ASP A 6 -8.698 8.865 -9.401 1.00 0.00 C ATOM 90 C ASP A 6 -8.506 10.285 -9.931 1.00 0.00 C ATOM 91 O ASP A 6 -8.431 11.221 -9.124 1.00 0.00 O ATOM 92 CB ASP A 6 -10.057 8.741 -8.712 1.00 0.00 C ATOM 93 CG ASP A 6 -11.219 8.864 -9.699 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.022 8.999 -10.925 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.373 8.788 -9.233 1.00 0.00 O ATOM 0 H ASP A 6 -7.937 8.720 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.654 8.156 -10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.117 7.780 -8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.147 9.514 -7.949 1.00 0.00 H new ATOM 100 N VAL A 7 -8.417 10.454 -11.255 1.00 0.00 N ATOM 101 CA VAL A 7 -8.032 11.724 -11.877 1.00 0.00 C ATOM 102 C VAL A 7 -9.138 12.337 -12.749 1.00 0.00 C ATOM 103 O VAL A 7 -8.929 13.423 -13.296 1.00 0.00 O ATOM 104 CB VAL A 7 -6.673 11.609 -12.606 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.526 11.235 -11.659 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.671 10.582 -13.740 1.00 0.00 C ATOM 0 H VAL A 7 -8.611 9.711 -11.927 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.895 12.439 -11.066 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.519 12.606 -13.018 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.596 11.168 -12.223 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.428 11.998 -10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.738 10.273 -11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.686 10.556 -14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.909 9.597 -13.339 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.417 10.861 -14.485 1.00 0.00 H new ATOM 116 N ARG A 8 -10.317 11.707 -12.887 1.00 0.00 N ATOM 117 CA ARG A 8 -11.469 12.401 -13.495 1.00 0.00 C ATOM 118 C ARG A 8 -11.868 13.592 -12.626 1.00 0.00 C ATOM 119 O ARG A 8 -11.420 13.718 -11.486 1.00 0.00 O ATOM 120 CB ARG A 8 -12.659 11.467 -13.763 1.00 0.00 C ATOM 121 CG ARG A 8 -13.263 10.880 -12.490 1.00 0.00 C ATOM 122 CD ARG A 8 -14.005 9.577 -12.800 1.00 0.00 C ATOM 123 NE ARG A 8 -13.853 8.670 -11.672 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.796 7.917 -11.125 1.00 0.00 C ATOM 125 NH1 ARG A 8 -15.972 7.715 -11.703 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.550 7.378 -9.953 1.00 0.00 N ATOM 0 H ARG A 8 -10.497 10.746 -12.596 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.159 12.764 -14.475 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.430 12.017 -14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.335 10.653 -14.412 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.476 10.692 -11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.949 11.598 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.061 9.778 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.606 9.122 -13.706 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.922 8.607 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.178 8.147 -12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.670 7.128 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.655 7.545 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.254 6.793 -9.503 1.00 0.00 H new ATOM 140 N VAL A 9 -12.721 14.459 -13.172 1.00 0.00 N ATOM 141 CA VAL A 9 -13.207 15.629 -12.454 1.00 0.00 C ATOM 142 C VAL A 9 -13.894 15.181 -11.141 1.00 0.00 C ATOM 143 O VAL A 9 -14.433 14.068 -11.082 1.00 0.00 O ATOM 144 CB VAL A 9 -14.104 16.487 -13.377 1.00 0.00 C ATOM 145 CG1 VAL A 9 -13.302 17.009 -14.580 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.346 15.744 -13.883 1.00 0.00 C ATOM 0 H VAL A 9 -13.090 14.368 -14.118 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.379 16.275 -12.164 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.451 17.319 -12.764 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.951 17.610 -15.217 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.473 17.621 -14.226 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.913 16.166 -15.151 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.929 16.405 -14.524 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.038 14.866 -14.451 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.955 15.432 -13.034 1.00 0.00 H new ATOM 156 N PRO A 10 -13.931 16.011 -10.083 1.00 0.00 N ATOM 157 CA PRO A 10 -14.406 15.568 -8.771 1.00 0.00 C ATOM 158 C PRO A 10 -15.904 15.241 -8.778 1.00 0.00 C ATOM 159 O PRO A 10 -16.363 14.376 -8.031 1.00 0.00 O ATOM 160 CB PRO A 10 -14.058 16.703 -7.803 1.00 0.00 C ATOM 161 CG PRO A 10 -13.980 17.942 -8.697 1.00 0.00 C ATOM 162 CD PRO A 10 -13.492 17.399 -10.037 1.00 0.00 C ATOM 0 HA PRO A 10 -13.928 14.636 -8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.819 16.816 -7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.112 16.518 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.951 18.427 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.292 18.684 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.910 17.970 -10.866 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.407 17.469 -10.116 1.00 0.00 H new ATOM 170 N GLU A 11 -16.677 15.882 -9.657 1.00 0.00 N ATOM 171 CA GLU A 11 -18.094 15.597 -9.880 1.00 0.00 C ATOM 172 C GLU A 11 -18.319 14.268 -10.616 1.00 0.00 C ATOM 173 O GLU A 11 -19.468 13.895 -10.862 1.00 0.00 O ATOM 174 CB GLU A 11 -18.722 16.758 -10.661 1.00 0.00 C ATOM 175 CG GLU A 11 -18.857 18.022 -9.799 1.00 0.00 C ATOM 176 CD GLU A 11 -19.529 19.166 -10.578 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.820 19.968 -11.228 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.775 19.292 -10.535 1.00 0.00 O ATOM 0 H GLU A 11 -16.324 16.634 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.575 15.496 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.111 16.979 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.705 16.460 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.441 17.795 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.871 18.340 -9.461 1.00 0.00 H new ATOM 185 N GLN A 12 -17.258 13.540 -10.978 1.00 0.00 N ATOM 186 CA GLN A 12 -17.340 12.206 -11.557 1.00 0.00 C ATOM 187 C GLN A 12 -16.766 11.177 -10.577 1.00 0.00 C ATOM 188 O GLN A 12 -17.343 10.097 -10.473 1.00 0.00 O ATOM 189 CB GLN A 12 -16.720 12.189 -12.968 1.00 0.00 C ATOM 190 CG GLN A 12 -17.539 13.023 -13.972 1.00 0.00 C ATOM 191 CD GLN A 12 -18.911 12.423 -14.292 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.051 11.608 -15.201 1.00 0.00 O ATOM 193 NE2 GLN A 12 -19.952 12.811 -13.570 1.00 0.00 N ATOM 0 H GLN A 12 -16.300 13.874 -10.872 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.379 11.915 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.702 12.577 -12.921 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.653 11.160 -13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.676 14.027 -13.571 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.971 13.123 -14.897 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.827 13.488 -12.817 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.879 12.433 -13.767 1.00 0.00 H new ATOM 202 N TYR A 13 -15.747 11.521 -9.772 1.00 0.00 N ATOM 203 CA TYR A 13 -15.310 10.675 -8.651 1.00 0.00 C ATOM 204 C TYR A 13 -16.495 10.345 -7.737 1.00 0.00 C ATOM 205 O TYR A 13 -16.701 9.184 -7.383 1.00 0.00 O ATOM 206 CB TYR A 13 -14.184 11.348 -7.845 1.00 0.00 C ATOM 207 CG TYR A 13 -14.024 10.833 -6.414 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.305 9.653 -6.123 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.620 11.550 -5.356 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.168 9.211 -4.796 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.521 11.093 -4.030 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.789 9.919 -3.742 1.00 0.00 C ATOM 213 OH TYR A 13 -13.669 9.497 -2.451 1.00 0.00 O ATOM 0 H TYR A 13 -15.210 12.382 -9.878 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.916 9.748 -9.067 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.242 11.206 -8.375 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.372 12.421 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.857 9.086 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.159 12.462 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.586 8.327 -4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.004 11.638 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.160 10.106 -1.861 1.00 0.00 H new ATOM 223 N GLN A 14 -17.297 11.360 -7.387 1.00 0.00 N ATOM 224 CA GLN A 14 -18.386 11.213 -6.424 1.00 0.00 C ATOM 225 C GLN A 14 -19.457 10.211 -6.881 1.00 0.00 C ATOM 226 O GLN A 14 -20.164 9.662 -6.034 1.00 0.00 O ATOM 227 CB GLN A 14 -19.028 12.587 -6.161 1.00 0.00 C ATOM 228 CG GLN A 14 -18.137 13.484 -5.290 1.00 0.00 C ATOM 229 CD GLN A 14 -18.642 14.925 -5.271 1.00 0.00 C ATOM 230 OE1 GLN A 14 -19.491 15.304 -4.467 1.00 0.00 O ATOM 231 NE2 GLN A 14 -18.129 15.756 -6.164 1.00 0.00 N ATOM 0 H GLN A 14 -17.206 12.303 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.955 10.814 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.222 13.084 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.992 12.448 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -18.110 13.094 -4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.115 13.460 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.425 15.425 -6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.437 16.728 -6.192 1.00 0.00 H new ATOM 240 N GLN A 15 -19.609 9.988 -8.192 1.00 0.00 N ATOM 241 CA GLN A 15 -20.733 9.224 -8.721 1.00 0.00 C ATOM 242 C GLN A 15 -20.582 7.745 -8.346 1.00 0.00 C ATOM 243 O GLN A 15 -21.499 7.157 -7.778 1.00 0.00 O ATOM 244 CB GLN A 15 -20.842 9.425 -10.244 1.00 0.00 C ATOM 245 CG GLN A 15 -20.954 10.902 -10.676 1.00 0.00 C ATOM 246 CD GLN A 15 -22.163 11.655 -10.111 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.216 11.089 -9.826 1.00 0.00 O ATOM 248 NE2 GLN A 15 -22.030 12.960 -9.936 1.00 0.00 N ATOM 0 H GLN A 15 -18.963 10.329 -8.904 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.661 9.585 -8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.968 8.983 -10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.714 8.883 -10.610 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.046 11.423 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.996 10.944 -11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -21.152 13.420 -10.176 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.806 13.506 -9.561 1.00 0.00 H new ATOM 257 N GLU A 16 -19.413 7.161 -8.610 1.00 0.00 N ATOM 258 CA GLU A 16 -19.005 5.810 -8.234 1.00 0.00 C ATOM 259 C GLU A 16 -17.504 5.749 -8.514 1.00 0.00 C ATOM 260 O GLU A 16 -17.051 6.352 -9.488 1.00 0.00 O ATOM 261 CB GLU A 16 -19.797 4.765 -9.047 1.00 0.00 C ATOM 262 CG GLU A 16 -19.265 3.330 -8.922 1.00 0.00 C ATOM 263 CD GLU A 16 -20.270 2.315 -9.494 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.302 2.110 -10.728 1.00 0.00 O ATOM 265 OE2 GLU A 16 -21.039 1.715 -8.710 1.00 0.00 O ATOM 0 H GLU A 16 -18.681 7.651 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.210 5.585 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.838 4.783 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.785 5.054 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.316 3.244 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.069 3.101 -7.874 1.00 0.00 H new ATOM 272 N HIS A 17 -16.725 5.058 -7.684 1.00 0.00 N ATOM 273 CA HIS A 17 -15.268 5.049 -7.730 1.00 0.00 C ATOM 274 C HIS A 17 -14.742 3.676 -7.335 1.00 0.00 C ATOM 275 O HIS A 17 -15.392 2.972 -6.561 1.00 0.00 O ATOM 276 CB HIS A 17 -14.714 6.152 -6.806 1.00 0.00 C ATOM 277 CG HIS A 17 -14.637 5.801 -5.338 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.672 5.410 -4.515 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.494 5.789 -4.581 1.00 0.00 C ATOM 280 CE1 HIS A 17 -15.162 5.185 -3.292 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.832 5.392 -3.279 1.00 0.00 N ATOM 0 H HIS A 17 -17.103 4.472 -6.940 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.932 5.255 -8.746 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.715 6.420 -7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.337 7.039 -6.916 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.650 5.309 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.503 6.042 -4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.742 4.879 -2.434 1.00 0.00 H new ATOM 289 N VAL A 18 -13.571 3.306 -7.858 1.00 0.00 N ATOM 290 CA VAL A 18 -12.830 2.124 -7.433 1.00 0.00 C ATOM 291 C VAL A 18 -12.650 2.237 -5.920 1.00 0.00 C ATOM 292 O VAL A 18 -12.160 3.259 -5.437 1.00 0.00 O ATOM 293 CB VAL A 18 -11.485 2.044 -8.186 1.00 0.00 C ATOM 294 CG1 VAL A 18 -10.594 0.919 -7.644 1.00 0.00 C ATOM 295 CG2 VAL A 18 -11.717 1.807 -9.686 1.00 0.00 C ATOM 0 H VAL A 18 -13.107 3.830 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.363 1.202 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.981 2.998 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.657 0.897 -8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.385 1.097 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.106 -0.037 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.757 1.754 -10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.256 0.870 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.303 2.629 -10.098 1.00 0.00 H new ATOM 305 N GLN A 19 -13.076 1.205 -5.190 1.00 0.00 N ATOM 306 CA GLN A 19 -13.211 1.233 -3.743 1.00 0.00 C ATOM 307 C GLN A 19 -11.910 1.696 -3.075 1.00 0.00 C ATOM 308 O GLN A 19 -10.896 0.996 -3.121 1.00 0.00 O ATOM 309 CB GLN A 19 -13.678 -0.153 -3.265 1.00 0.00 C ATOM 310 CG GLN A 19 -14.043 -0.173 -1.773 1.00 0.00 C ATOM 311 CD GLN A 19 -14.488 -1.563 -1.307 1.00 0.00 C ATOM 312 OE1 GLN A 19 -15.334 -2.211 -1.918 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.928 -2.059 -0.214 1.00 0.00 N ATOM 0 H GLN A 19 -13.341 0.310 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.964 1.964 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.544 -0.462 -3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.890 -0.882 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.183 0.148 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.842 0.545 -1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.226 -1.517 0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.199 -2.983 0.124 1.00 0.00 H new ATOM 322 N GLY A 20 -11.951 2.874 -2.445 1.00 0.00 N ATOM 323 CA GLY A 20 -10.862 3.407 -1.637 1.00 0.00 C ATOM 324 C GLY A 20 -9.836 4.218 -2.433 1.00 0.00 C ATOM 325 O GLY A 20 -8.846 4.658 -1.843 1.00 0.00 O ATOM 0 H GLY A 20 -12.761 3.493 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.280 4.039 -0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.352 2.580 -1.142 1.00 0.00 H new ATOM 329 N ALA A 21 -10.030 4.426 -3.742 1.00 0.00 N ATOM 330 CA ALA A 21 -9.172 5.310 -4.525 1.00 0.00 C ATOM 331 C ALA A 21 -9.273 6.741 -3.984 1.00 0.00 C ATOM 332 O ALA A 21 -10.364 7.191 -3.622 1.00 0.00 O ATOM 333 CB ALA A 21 -9.570 5.262 -6.002 1.00 0.00 C ATOM 0 H ALA A 21 -10.779 3.989 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.138 4.975 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.922 5.926 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.466 4.243 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.606 5.583 -6.110 1.00 0.00 H new ATOM 339 N ILE A 22 -8.152 7.465 -3.944 1.00 0.00 N ATOM 340 CA ILE A 22 -8.121 8.847 -3.483 1.00 0.00 C ATOM 341 C ILE A 22 -8.513 9.762 -4.650 1.00 0.00 C ATOM 342 O ILE A 22 -8.004 9.630 -5.765 1.00 0.00 O ATOM 343 CB ILE A 22 -6.761 9.186 -2.820 1.00 0.00 C ATOM 344 CG1 ILE A 22 -6.796 10.629 -2.267 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.546 8.946 -3.735 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.583 11.008 -1.407 1.00 0.00 C ATOM 0 H ILE A 22 -7.242 7.105 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.853 9.009 -2.691 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.623 8.490 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.864 11.324 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.701 10.756 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.632 9.206 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.511 7.896 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.634 9.566 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.689 12.036 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.523 10.340 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.673 10.918 -2.001 1.00 0.00 H new ATOM 358 N ASN A 23 -9.428 10.694 -4.384 1.00 0.00 N ATOM 359 CA ASN A 23 -9.823 11.755 -5.303 1.00 0.00 C ATOM 360 C ASN A 23 -8.685 12.763 -5.438 1.00 0.00 C ATOM 361 O ASN A 23 -8.452 13.528 -4.498 1.00 0.00 O ATOM 362 CB ASN A 23 -11.092 12.426 -4.758 1.00 0.00 C ATOM 363 CG ASN A 23 -11.483 13.674 -5.540 1.00 0.00 C ATOM 364 OD1 ASN A 23 -12.279 13.640 -6.469 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.909 14.803 -5.177 1.00 0.00 N ATOM 0 H ASN A 23 -9.928 10.730 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.033 11.347 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.915 11.712 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.936 12.692 -3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.126 15.668 -5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.248 14.812 -4.400 1.00 0.00 H new ATOM 372 N ILE A 24 -8.006 12.804 -6.588 1.00 0.00 N ATOM 373 CA ILE A 24 -7.083 13.888 -6.928 1.00 0.00 C ATOM 374 C ILE A 24 -7.226 14.150 -8.445 1.00 0.00 C ATOM 375 O ILE A 24 -6.422 13.646 -9.228 1.00 0.00 O ATOM 376 CB ILE A 24 -5.611 13.665 -6.463 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.420 12.704 -5.270 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.039 15.047 -6.087 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.948 12.413 -4.946 1.00 0.00 C ATOM 0 H ILE A 24 -8.081 12.086 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.359 14.780 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.092 13.184 -7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.900 13.131 -4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.929 11.764 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.007 14.935 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.071 15.703 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.634 15.481 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.890 11.731 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.468 11.956 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.439 13.344 -4.698 1.00 0.00 H new ATOM 391 N PRO A 25 -8.281 14.870 -8.882 1.00 0.00 N ATOM 392 CA PRO A 25 -8.551 15.189 -10.283 1.00 0.00 C ATOM 393 C PRO A 25 -7.335 15.737 -11.026 1.00 0.00 C ATOM 394 O PRO A 25 -6.475 16.365 -10.413 1.00 0.00 O ATOM 395 CB PRO A 25 -9.667 16.236 -10.257 1.00 0.00 C ATOM 396 CG PRO A 25 -10.423 15.920 -8.972 1.00 0.00 C ATOM 397 CD PRO A 25 -9.335 15.405 -8.041 1.00 0.00 C ATOM 0 HA PRO A 25 -8.828 14.282 -10.820 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.266 17.250 -10.248 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.312 16.156 -11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.913 16.805 -8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.199 15.172 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.955 16.208 -7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.727 14.635 -7.377 1.00 0.00 H new ATOM 405 N LEU A 26 -7.303 15.623 -12.356 1.00 0.00 N ATOM 406 CA LEU A 26 -6.231 16.172 -13.195 1.00 0.00 C ATOM 407 C LEU A 26 -5.974 17.667 -12.925 1.00 0.00 C ATOM 408 O LEU A 26 -4.826 18.108 -12.952 1.00 0.00 O ATOM 409 CB LEU A 26 -6.584 15.920 -14.673 1.00 0.00 C ATOM 410 CG LEU A 26 -5.566 16.494 -15.682 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.229 15.747 -15.613 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.136 16.397 -17.099 1.00 0.00 C ATOM 0 H LEU A 26 -8.028 15.142 -12.888 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.300 15.664 -12.945 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.670 14.845 -14.835 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.563 16.353 -14.878 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.385 17.538 -15.425 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.535 16.176 -16.336 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.812 15.840 -14.610 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.388 14.694 -15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.416 16.803 -17.809 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.335 15.353 -17.340 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.064 16.966 -17.158 1.00 0.00 H new ATOM 424 N LYS A 27 -7.020 18.450 -12.632 1.00 0.00 N ATOM 425 CA LYS A 27 -6.880 19.876 -12.310 1.00 0.00 C ATOM 426 C LYS A 27 -6.211 20.120 -10.948 1.00 0.00 C ATOM 427 O LYS A 27 -5.749 21.231 -10.694 1.00 0.00 O ATOM 428 CB LYS A 27 -8.255 20.567 -12.355 1.00 0.00 C ATOM 429 CG LYS A 27 -8.803 20.676 -13.787 1.00 0.00 C ATOM 430 CD LYS A 27 -10.140 21.435 -13.809 1.00 0.00 C ATOM 431 CE LYS A 27 -10.613 21.770 -15.234 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.983 20.573 -16.032 1.00 0.00 N ATOM 0 H LYS A 27 -7.983 18.115 -12.611 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.224 20.307 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.960 20.009 -11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.173 21.564 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.079 21.190 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.940 19.679 -14.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.901 20.835 -13.310 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.038 22.358 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.473 22.438 -15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.823 22.313 -15.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.292 20.870 -16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.159 19.944 -16.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.758 20.066 -15.558 1.00 0.00 H new ATOM 446 N GLU A 28 -6.141 19.108 -10.082 1.00 0.00 N ATOM 447 CA GLU A 28 -5.739 19.223 -8.683 1.00 0.00 C ATOM 448 C GLU A 28 -4.444 18.441 -8.407 1.00 0.00 C ATOM 449 O GLU A 28 -3.685 18.807 -7.511 1.00 0.00 O ATOM 450 CB GLU A 28 -6.865 18.651 -7.795 1.00 0.00 C ATOM 451 CG GLU A 28 -8.264 19.270 -7.974 1.00 0.00 C ATOM 452 CD GLU A 28 -8.322 20.752 -7.570 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.302 21.040 -6.353 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.419 21.630 -8.456 1.00 0.00 O ATOM 0 H GLU A 28 -6.372 18.151 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.561 20.275 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.939 17.580 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.570 18.770 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.568 19.171 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.983 18.708 -7.377 1.00 0.00 H new ATOM 461 N VAL A 29 -4.180 17.375 -9.172 1.00 0.00 N ATOM 462 CA VAL A 29 -3.144 16.380 -8.899 1.00 0.00 C ATOM 463 C VAL A 29 -1.761 16.993 -8.677 1.00 0.00 C ATOM 464 O VAL A 29 -1.083 16.600 -7.730 1.00 0.00 O ATOM 465 CB VAL A 29 -3.214 15.262 -9.967 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.739 15.705 -11.355 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.451 13.996 -9.561 1.00 0.00 C ATOM 0 H VAL A 29 -4.701 17.178 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.342 15.908 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.277 15.031 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.817 14.869 -12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.361 16.528 -11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.701 16.033 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.538 13.250 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.400 14.239 -9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.872 13.598 -8.638 1.00 0.00 H new ATOM 477 N LYS A 30 -1.363 18.002 -9.461 1.00 0.00 N ATOM 478 CA LYS A 30 -0.028 18.602 -9.354 1.00 0.00 C ATOM 479 C LYS A 30 0.235 19.189 -7.965 1.00 0.00 C ATOM 480 O LYS A 30 1.387 19.233 -7.534 1.00 0.00 O ATOM 481 CB LYS A 30 0.166 19.692 -10.422 1.00 0.00 C ATOM 482 CG LYS A 30 0.106 19.129 -11.852 1.00 0.00 C ATOM 483 CD LYS A 30 0.482 20.169 -12.922 1.00 0.00 C ATOM 484 CE LYS A 30 -0.476 21.371 -13.014 1.00 0.00 C ATOM 485 NZ LYS A 30 -1.809 21.017 -13.569 1.00 0.00 N ATOM 0 H LYS A 30 -1.951 18.422 -10.181 1.00 0.00 H new ATOM 0 HA LYS A 30 0.691 17.799 -9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.603 20.455 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.128 20.181 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.780 18.276 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.900 18.760 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.487 20.537 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.518 19.675 -13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.606 21.801 -12.021 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.023 22.141 -13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.407 21.867 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.695 20.633 -14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.259 20.303 -12.962 1.00 0.00 H new ATOM 499 N GLU A 31 -0.807 19.645 -7.267 1.00 0.00 N ATOM 500 CA GLU A 31 -0.676 20.293 -5.968 1.00 0.00 C ATOM 501 C GLU A 31 -0.503 19.268 -4.836 1.00 0.00 C ATOM 502 O GLU A 31 0.082 19.594 -3.802 1.00 0.00 O ATOM 503 CB GLU A 31 -1.935 21.147 -5.738 1.00 0.00 C ATOM 504 CG GLU A 31 -1.831 22.084 -4.527 1.00 0.00 C ATOM 505 CD GLU A 31 -3.124 22.889 -4.341 1.00 0.00 C ATOM 506 OE1 GLU A 31 -4.140 22.287 -3.926 1.00 0.00 O ATOM 507 OE2 GLU A 31 -3.132 24.116 -4.593 1.00 0.00 O ATOM 0 H GLU A 31 -1.771 19.573 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 31 0.217 20.918 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.128 21.742 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.792 20.487 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.629 21.501 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.991 22.765 -4.661 1.00 0.00 H new ATOM 514 N ARG A 32 -0.980 18.028 -5.018 1.00 0.00 N ATOM 515 CA ARG A 32 -1.137 17.069 -3.917 1.00 0.00 C ATOM 516 C ARG A 32 -0.493 15.710 -4.152 1.00 0.00 C ATOM 517 O ARG A 32 -0.262 15.004 -3.171 1.00 0.00 O ATOM 518 CB ARG A 32 -2.643 16.936 -3.602 1.00 0.00 C ATOM 519 CG ARG A 32 -3.068 17.896 -2.478 1.00 0.00 C ATOM 520 CD ARG A 32 -4.582 18.150 -2.464 1.00 0.00 C ATOM 521 NE ARG A 32 -4.941 19.322 -3.284 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.080 19.517 -3.955 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.036 18.590 -4.002 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.247 20.671 -4.577 1.00 0.00 N ATOM 0 H ARG A 32 -1.266 17.664 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.593 17.468 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.224 17.145 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.866 15.910 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.763 17.483 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.545 18.845 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.103 17.269 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.916 18.306 -1.438 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.244 20.064 -3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.909 17.702 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.895 18.769 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.517 21.383 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.106 20.850 -5.098 1.00 0.00 H new ATOM 538 N ILE A 33 -0.152 15.324 -5.382 1.00 0.00 N ATOM 539 CA ILE A 33 0.432 14.007 -5.636 1.00 0.00 C ATOM 540 C ILE A 33 1.757 13.825 -4.884 1.00 0.00 C ATOM 541 O ILE A 33 1.992 12.755 -4.328 1.00 0.00 O ATOM 542 CB ILE A 33 0.523 13.734 -7.154 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.916 12.274 -7.473 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.451 14.711 -7.910 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.022 11.219 -6.877 1.00 0.00 C ATOM 0 H ILE A 33 -0.269 15.902 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.230 13.241 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.490 13.907 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.944 12.147 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.926 12.094 -7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.463 14.455 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.084 15.730 -7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.461 14.638 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.329 10.224 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.033 11.314 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.030 11.368 -7.265 1.00 0.00 H new ATOM 557 N ALA A 34 2.554 14.893 -4.754 1.00 0.00 N ATOM 558 CA ALA A 34 3.810 14.893 -4.005 1.00 0.00 C ATOM 559 C ALA A 34 3.632 14.631 -2.497 1.00 0.00 C ATOM 560 O ALA A 34 4.629 14.438 -1.800 1.00 0.00 O ATOM 561 CB ALA A 34 4.527 16.229 -4.236 1.00 0.00 C ATOM 0 H ALA A 34 2.337 15.796 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 34 4.410 14.063 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.465 16.239 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.733 16.352 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.893 17.046 -3.892 1.00 0.00 H new ATOM 567 N THR A 35 2.397 14.614 -1.991 1.00 0.00 N ATOM 568 CA THR A 35 2.074 14.425 -0.581 1.00 0.00 C ATOM 569 C THR A 35 1.220 13.158 -0.414 1.00 0.00 C ATOM 570 O THR A 35 1.403 12.424 0.557 1.00 0.00 O ATOM 571 CB THR A 35 1.365 15.693 -0.059 1.00 0.00 C ATOM 572 OG1 THR A 35 2.061 16.859 -0.476 1.00 0.00 O ATOM 573 CG2 THR A 35 1.270 15.714 1.471 1.00 0.00 C ATOM 0 H THR A 35 1.569 14.736 -2.574 1.00 0.00 H new ATOM 0 HA THR A 35 2.978 14.281 0.011 1.00 0.00 H new ATOM 0 HB THR A 35 0.358 15.678 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.598 17.654 -0.139 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.764 16.625 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.706 14.846 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.272 15.686 1.898 1.00 0.00 H new ATOM 581 N ALA A 36 0.339 12.854 -1.377 1.00 0.00 N ATOM 582 CA ALA A 36 -0.416 11.608 -1.412 1.00 0.00 C ATOM 583 C ALA A 36 0.507 10.411 -1.676 1.00 0.00 C ATOM 584 O ALA A 36 0.323 9.356 -1.068 1.00 0.00 O ATOM 585 CB ALA A 36 -1.496 11.700 -2.495 1.00 0.00 C ATOM 0 H ALA A 36 0.133 13.477 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.887 11.455 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.063 10.769 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.169 12.527 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.026 11.869 -3.464 1.00 0.00 H new ATOM 591 N VAL A 37 1.507 10.577 -2.550 1.00 0.00 N ATOM 592 CA VAL A 37 2.483 9.555 -2.916 1.00 0.00 C ATOM 593 C VAL A 37 3.856 10.244 -3.033 1.00 0.00 C ATOM 594 O VAL A 37 4.307 10.540 -4.143 1.00 0.00 O ATOM 595 CB VAL A 37 2.054 8.813 -4.209 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.955 7.591 -4.437 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.602 8.309 -4.184 1.00 0.00 C ATOM 0 H VAL A 37 1.660 11.460 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 37 2.546 8.780 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 37 2.146 9.549 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.647 7.076 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.991 7.916 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.869 6.912 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.377 7.801 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.472 7.614 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.074 9.154 -4.058 1.00 0.00 H new ATOM 607 N PRO A 38 4.521 10.571 -1.907 1.00 0.00 N ATOM 608 CA PRO A 38 5.849 11.178 -1.930 1.00 0.00 C ATOM 609 C PRO A 38 6.891 10.298 -2.634 1.00 0.00 C ATOM 610 O PRO A 38 7.798 10.817 -3.287 1.00 0.00 O ATOM 611 CB PRO A 38 6.236 11.404 -0.461 1.00 0.00 C ATOM 612 CG PRO A 38 4.908 11.366 0.290 1.00 0.00 C ATOM 613 CD PRO A 38 4.074 10.390 -0.534 1.00 0.00 C ATOM 0 HA PRO A 38 5.825 12.108 -2.498 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.916 10.630 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.742 12.360 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.035 11.022 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.444 12.351 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.227 9.363 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.009 10.601 -0.435 1.00 0.00 H new ATOM 621 N ASP A 39 6.787 8.972 -2.483 1.00 0.00 N ATOM 622 CA ASP A 39 7.731 8.018 -3.058 1.00 0.00 C ATOM 623 C ASP A 39 7.431 7.814 -4.543 1.00 0.00 C ATOM 624 O ASP A 39 6.505 7.087 -4.907 1.00 0.00 O ATOM 625 CB ASP A 39 7.692 6.677 -2.315 1.00 0.00 C ATOM 626 CG ASP A 39 8.617 5.635 -2.972 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.523 6.015 -3.750 1.00 0.00 O ATOM 628 OD2 ASP A 39 8.456 4.429 -2.680 1.00 0.00 O ATOM 0 H ASP A 39 6.036 8.531 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 39 8.735 8.428 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.991 6.827 -1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.670 6.299 -2.300 1.00 0.00 H new ATOM 633 N LYS A 40 8.226 8.444 -5.410 1.00 0.00 N ATOM 634 CA LYS A 40 8.043 8.378 -6.859 1.00 0.00 C ATOM 635 C LYS A 40 8.230 6.968 -7.436 1.00 0.00 C ATOM 636 O LYS A 40 7.845 6.747 -8.586 1.00 0.00 O ATOM 637 CB LYS A 40 8.955 9.406 -7.553 1.00 0.00 C ATOM 638 CG LYS A 40 8.608 10.844 -7.132 1.00 0.00 C ATOM 639 CD LYS A 40 9.372 11.894 -7.946 1.00 0.00 C ATOM 640 CE LYS A 40 9.029 13.292 -7.411 1.00 0.00 C ATOM 641 NZ LYS A 40 9.735 14.368 -8.148 1.00 0.00 N ATOM 0 H LYS A 40 9.019 9.018 -5.124 1.00 0.00 H new ATOM 0 HA LYS A 40 7.003 8.633 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.996 9.195 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.857 9.309 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.537 11.006 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.834 10.974 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.445 11.717 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.106 11.819 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.953 13.452 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.290 13.348 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.665 15.258 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.736 14.111 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.300 14.491 -9.085 1.00 0.00 H new ATOM 655 N ASN A 41 8.802 6.019 -6.681 1.00 0.00 N ATOM 656 CA ASN A 41 8.926 4.626 -7.112 1.00 0.00 C ATOM 657 C ASN A 41 7.614 3.846 -6.927 1.00 0.00 C ATOM 658 O ASN A 41 7.462 2.766 -7.497 1.00 0.00 O ATOM 659 CB ASN A 41 10.076 3.942 -6.354 1.00 0.00 C ATOM 660 CG ASN A 41 10.248 2.460 -6.693 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.192 1.608 -5.810 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.491 2.106 -7.944 1.00 0.00 N ATOM 0 H ASN A 41 9.190 6.199 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 41 9.150 4.626 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.006 4.465 -6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.902 4.042 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.632 1.123 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.537 2.816 -8.675 1.00 0.00 H new ATOM 669 N ASP A 42 6.664 4.345 -6.130 1.00 0.00 N ATOM 670 CA ASP A 42 5.411 3.633 -5.867 1.00 0.00 C ATOM 671 C ASP A 42 4.524 3.597 -7.121 1.00 0.00 C ATOM 672 O ASP A 42 4.564 4.522 -7.936 1.00 0.00 O ATOM 673 CB ASP A 42 4.666 4.289 -4.705 1.00 0.00 C ATOM 674 CG ASP A 42 3.521 3.386 -4.244 1.00 0.00 C ATOM 675 OD1 ASP A 42 3.806 2.437 -3.478 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.369 3.606 -4.670 1.00 0.00 O ATOM 0 H ASP A 42 6.741 5.244 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 42 5.652 2.605 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.352 4.471 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.274 5.258 -5.014 1.00 0.00 H new ATOM 681 N THR A 43 3.735 2.534 -7.294 1.00 0.00 N ATOM 682 CA THR A 43 2.922 2.331 -8.489 1.00 0.00 C ATOM 683 C THR A 43 1.661 3.204 -8.411 1.00 0.00 C ATOM 684 O THR A 43 0.694 2.856 -7.727 1.00 0.00 O ATOM 685 CB THR A 43 2.584 0.838 -8.673 1.00 0.00 C ATOM 686 OG1 THR A 43 3.695 0.012 -8.372 1.00 0.00 O ATOM 687 CG2 THR A 43 2.131 0.540 -10.107 1.00 0.00 C ATOM 0 H THR A 43 3.644 1.788 -6.604 1.00 0.00 H new ATOM 0 HA THR A 43 3.489 2.637 -9.369 1.00 0.00 H new ATOM 0 HB THR A 43 1.771 0.619 -7.980 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.755 -0.115 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.901 -0.521 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.242 1.127 -10.337 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.928 0.802 -10.802 1.00 0.00 H new ATOM 695 N VAL A 44 1.656 4.344 -9.104 1.00 0.00 N ATOM 696 CA VAL A 44 0.505 5.237 -9.149 1.00 0.00 C ATOM 697 C VAL A 44 -0.474 4.662 -10.182 1.00 0.00 C ATOM 698 O VAL A 44 -0.381 4.951 -11.379 1.00 0.00 O ATOM 699 CB VAL A 44 0.926 6.698 -9.438 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.219 7.660 -9.087 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.165 7.142 -8.643 1.00 0.00 C ATOM 0 H VAL A 44 2.453 4.671 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 44 0.009 5.288 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 44 1.167 6.731 -10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.090 8.684 -9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.096 7.416 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.465 7.563 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.406 8.175 -8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.959 7.065 -7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.009 6.501 -8.897 1.00 0.00 H new ATOM 711 N LYS A 45 -1.389 3.796 -9.743 1.00 0.00 N ATOM 712 CA LYS A 45 -2.500 3.365 -10.582 1.00 0.00 C ATOM 713 C LYS A 45 -3.371 4.600 -10.796 1.00 0.00 C ATOM 714 O LYS A 45 -3.736 5.261 -9.818 1.00 0.00 O ATOM 715 CB LYS A 45 -3.301 2.246 -9.890 1.00 0.00 C ATOM 716 CG LYS A 45 -2.511 0.953 -9.630 1.00 0.00 C ATOM 717 CD LYS A 45 -2.341 0.090 -10.888 1.00 0.00 C ATOM 718 CE LYS A 45 -1.663 -1.232 -10.500 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.636 -2.203 -11.619 1.00 0.00 N ATOM 0 H LYS A 45 -1.380 3.381 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.148 2.959 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.677 2.623 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.169 2.007 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.527 1.208 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.021 0.370 -8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.311 -0.105 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.740 0.618 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.643 -1.031 -10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.189 -1.672 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.124 -3.059 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.610 -2.456 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.155 -1.777 -12.437 1.00 0.00 H new ATOM 733 N VAL A 46 -3.729 4.904 -12.041 1.00 0.00 N ATOM 734 CA VAL A 46 -4.606 6.023 -12.362 1.00 0.00 C ATOM 735 C VAL A 46 -5.732 5.524 -13.256 1.00 0.00 C ATOM 736 O VAL A 46 -5.528 4.667 -14.120 1.00 0.00 O ATOM 737 CB VAL A 46 -3.826 7.218 -12.963 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.890 7.853 -11.927 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.993 6.872 -14.208 1.00 0.00 C ATOM 0 H VAL A 46 -3.417 4.378 -12.857 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.049 6.415 -11.447 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.604 7.918 -13.268 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.358 8.689 -12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.475 8.213 -11.080 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.171 7.110 -11.582 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.480 7.766 -14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.258 6.109 -13.953 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.650 6.495 -14.992 1.00 0.00 H new ATOM 749 N TYR A 47 -6.927 6.063 -13.062 1.00 0.00 N ATOM 750 CA TYR A 47 -8.082 5.811 -13.905 1.00 0.00 C ATOM 751 C TYR A 47 -8.959 7.057 -13.865 1.00 0.00 C ATOM 752 O TYR A 47 -8.748 7.951 -13.035 1.00 0.00 O ATOM 753 CB TYR A 47 -8.850 4.563 -13.445 1.00 0.00 C ATOM 754 CG TYR A 47 -9.701 4.774 -12.210 1.00 0.00 C ATOM 755 CD1 TYR A 47 -9.092 4.878 -10.946 1.00 0.00 C ATOM 756 CD2 TYR A 47 -11.094 4.941 -12.341 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.869 5.167 -9.813 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.877 5.221 -11.210 1.00 0.00 C ATOM 759 CZ TYR A 47 -11.265 5.344 -9.945 1.00 0.00 C ATOM 760 OH TYR A 47 -12.033 5.617 -8.856 1.00 0.00 O ATOM 0 H TYR A 47 -7.123 6.704 -12.293 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.766 5.609 -14.928 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.490 4.224 -14.259 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.136 3.764 -13.247 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.026 4.735 -10.847 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.559 4.854 -13.312 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.401 5.254 -8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.946 5.342 -11.308 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.503 6.112 -8.198 1.00 0.00 H new ATOM 770 N CYS A 48 -9.920 7.128 -14.782 1.00 0.00 N ATOM 771 CA CYS A 48 -10.828 8.249 -14.895 1.00 0.00 C ATOM 772 C CYS A 48 -12.080 7.769 -15.635 1.00 0.00 C ATOM 773 O CYS A 48 -12.536 6.639 -15.435 1.00 0.00 O ATOM 774 CB CYS A 48 -10.082 9.411 -15.587 1.00 0.00 C ATOM 775 SG CYS A 48 -9.494 8.963 -17.243 1.00 0.00 S ATOM 0 H CYS A 48 -10.086 6.396 -15.473 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.160 8.629 -13.929 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.745 10.273 -15.660 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.234 9.713 -14.972 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.445 9.155 -18.108 1.00 0.00 H new ATOM 781 N ASN A 49 -12.613 8.618 -16.512 1.00 0.00 N ATOM 782 CA ASN A 49 -13.655 8.296 -17.466 1.00 0.00 C ATOM 783 C ASN A 49 -13.090 8.653 -18.840 1.00 0.00 C ATOM 784 O ASN A 49 -12.488 9.718 -18.994 1.00 0.00 O ATOM 785 CB ASN A 49 -14.913 9.118 -17.157 1.00 0.00 C ATOM 786 CG ASN A 49 -16.010 8.814 -18.172 1.00 0.00 C ATOM 787 OD1 ASN A 49 -16.211 9.553 -19.131 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.717 7.708 -18.003 1.00 0.00 N ATOM 0 H ASN A 49 -12.312 9.591 -16.574 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.940 7.245 -17.424 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.266 8.890 -16.151 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.674 10.181 -17.178 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.442 7.458 -18.676 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.537 7.105 -17.200 1.00 0.00 H new ATOM 795 N ALA A 50 -13.258 7.753 -19.812 1.00 0.00 N ATOM 796 CA ALA A 50 -12.779 7.875 -21.193 1.00 0.00 C ATOM 797 C ALA A 50 -11.249 8.015 -21.342 1.00 0.00 C ATOM 798 O ALA A 50 -10.773 8.404 -22.410 1.00 0.00 O ATOM 799 CB ALA A 50 -13.563 8.973 -21.932 1.00 0.00 C ATOM 0 H ALA A 50 -13.755 6.877 -19.651 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.984 6.920 -21.676 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.198 9.054 -22.956 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.623 8.718 -21.943 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.424 9.926 -21.421 1.00 0.00 H new ATOM 805 N GLY A 51 -10.462 7.704 -20.305 1.00 0.00 N ATOM 806 CA GLY A 51 -9.004 7.564 -20.362 1.00 0.00 C ATOM 807 C GLY A 51 -8.214 8.874 -20.434 1.00 0.00 C ATOM 808 O GLY A 51 -7.103 8.934 -19.908 1.00 0.00 O ATOM 0 H GLY A 51 -10.837 7.537 -19.371 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.676 7.011 -19.482 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.749 6.959 -21.232 1.00 0.00 H new ATOM 812 N ARG A 52 -8.756 9.932 -21.046 1.00 0.00 N ATOM 813 CA ARG A 52 -8.045 11.196 -21.286 1.00 0.00 C ATOM 814 C ARG A 52 -7.421 11.797 -20.041 1.00 0.00 C ATOM 815 O ARG A 52 -6.231 12.095 -20.084 1.00 0.00 O ATOM 816 CB ARG A 52 -8.902 12.208 -22.078 1.00 0.00 C ATOM 817 CG ARG A 52 -10.420 12.149 -21.819 1.00 0.00 C ATOM 818 CD ARG A 52 -11.151 13.363 -22.406 1.00 0.00 C ATOM 819 NE ARG A 52 -10.921 14.564 -21.589 1.00 0.00 N ATOM 820 CZ ARG A 52 -11.259 15.822 -21.882 1.00 0.00 C ATOM 821 NH1 ARG A 52 -11.815 16.134 -23.049 1.00 0.00 N ATOM 822 NH2 ARG A 52 -11.025 16.756 -20.968 1.00 0.00 N ATOM 0 H ARG A 52 -9.715 9.936 -21.394 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.199 10.937 -21.922 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.552 13.213 -21.845 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.728 12.049 -23.142 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.827 11.236 -22.254 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.603 12.100 -20.746 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.807 13.541 -23.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.220 13.156 -22.462 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.449 14.419 -20.696 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.991 15.406 -23.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.065 17.102 -23.252 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.600 16.502 -20.076 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.270 17.728 -21.157 1.00 0.00 H new ATOM 836 N GLN A 53 -8.151 11.928 -18.932 1.00 0.00 N ATOM 837 CA GLN A 53 -7.571 12.490 -17.711 1.00 0.00 C ATOM 838 C GLN A 53 -6.405 11.625 -17.207 1.00 0.00 C ATOM 839 O GLN A 53 -5.444 12.178 -16.683 1.00 0.00 O ATOM 840 CB GLN A 53 -8.623 12.710 -16.605 1.00 0.00 C ATOM 841 CG GLN A 53 -9.504 13.967 -16.765 1.00 0.00 C ATOM 842 CD GLN A 53 -10.343 13.975 -18.040 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.189 14.842 -18.895 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.219 12.997 -18.222 1.00 0.00 N ATOM 0 H GLN A 53 -9.131 11.657 -18.854 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.180 13.474 -17.969 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.272 11.835 -16.567 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.109 12.768 -15.646 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.168 14.045 -15.904 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.865 14.850 -16.756 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.340 12.281 -17.506 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.772 12.960 -19.078 1.00 0.00 H new ATOM 853 N SER A 54 -6.441 10.301 -17.384 1.00 0.00 N ATOM 854 CA SER A 54 -5.353 9.412 -16.981 1.00 0.00 C ATOM 855 C SER A 54 -4.149 9.492 -17.913 1.00 0.00 C ATOM 856 O SER A 54 -3.022 9.507 -17.422 1.00 0.00 O ATOM 857 CB SER A 54 -5.849 7.973 -16.896 1.00 0.00 C ATOM 858 OG SER A 54 -6.899 7.880 -15.953 1.00 0.00 O ATOM 0 H SER A 54 -7.229 9.816 -17.813 1.00 0.00 H new ATOM 0 HA SER A 54 -5.022 9.747 -15.998 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.197 7.641 -17.874 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.030 7.314 -16.608 1.00 0.00 H new ATOM 0 HG SER A 54 -7.756 8.038 -16.401 1.00 0.00 H new ATOM 864 N GLY A 55 -4.347 9.584 -19.231 1.00 0.00 N ATOM 865 CA GLY A 55 -3.241 9.769 -20.167 1.00 0.00 C ATOM 866 C GLY A 55 -2.554 11.106 -19.898 1.00 0.00 C ATOM 867 O GLY A 55 -1.330 11.183 -19.785 1.00 0.00 O ATOM 0 H GLY A 55 -5.265 9.533 -19.672 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.525 8.954 -20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.611 9.739 -21.192 1.00 0.00 H new ATOM 871 N GLN A 56 -3.360 12.150 -19.707 1.00 0.00 N ATOM 872 CA GLN A 56 -2.915 13.477 -19.321 1.00 0.00 C ATOM 873 C GLN A 56 -2.182 13.451 -17.971 1.00 0.00 C ATOM 874 O GLN A 56 -1.122 14.066 -17.842 1.00 0.00 O ATOM 875 CB GLN A 56 -4.153 14.391 -19.298 1.00 0.00 C ATOM 876 CG GLN A 56 -4.560 14.882 -20.697 1.00 0.00 C ATOM 877 CD GLN A 56 -3.510 15.801 -21.327 1.00 0.00 C ATOM 878 OE1 GLN A 56 -3.230 16.889 -20.829 1.00 0.00 O ATOM 879 NE2 GLN A 56 -2.897 15.390 -22.426 1.00 0.00 N ATOM 0 H GLN A 56 -4.372 12.087 -19.822 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.191 13.862 -20.039 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.988 13.852 -18.850 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.951 15.252 -18.661 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.722 14.022 -21.347 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.509 15.414 -20.630 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.134 14.486 -22.834 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.188 15.977 -22.864 1.00 0.00 H new ATOM 888 N ALA A 57 -2.690 12.714 -16.977 1.00 0.00 N ATOM 889 CA ALA A 57 -2.027 12.582 -15.687 1.00 0.00 C ATOM 890 C ALA A 57 -0.686 11.859 -15.844 1.00 0.00 C ATOM 891 O ALA A 57 0.315 12.307 -15.296 1.00 0.00 O ATOM 892 CB ALA A 57 -2.935 11.869 -14.679 1.00 0.00 C ATOM 0 H ALA A 57 -3.567 12.198 -17.049 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.824 13.580 -15.297 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.419 11.782 -13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.852 12.443 -14.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.181 10.874 -15.051 1.00 0.00 H new ATOM 898 N LYS A 58 -0.618 10.772 -16.616 1.00 0.00 N ATOM 899 CA LYS A 58 0.636 10.054 -16.838 1.00 0.00 C ATOM 900 C LYS A 58 1.673 10.962 -17.498 1.00 0.00 C ATOM 901 O LYS A 58 2.846 10.897 -17.130 1.00 0.00 O ATOM 902 CB LYS A 58 0.357 8.768 -17.635 1.00 0.00 C ATOM 903 CG LYS A 58 1.621 7.925 -17.870 1.00 0.00 C ATOM 904 CD LYS A 58 1.257 6.523 -18.388 1.00 0.00 C ATOM 905 CE LYS A 58 2.472 5.708 -18.862 1.00 0.00 C ATOM 906 NZ LYS A 58 3.442 5.397 -17.781 1.00 0.00 N ATOM 0 H LYS A 58 -1.421 10.370 -17.099 1.00 0.00 H new ATOM 0 HA LYS A 58 1.068 9.755 -15.883 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.380 8.168 -17.101 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.083 9.031 -18.597 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.269 8.426 -18.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.184 7.839 -16.940 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.747 5.973 -17.597 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.552 6.621 -19.213 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.122 4.775 -19.304 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.984 6.261 -19.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.121 4.685 -18.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.953 6.262 -17.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.933 5.026 -16.954 1.00 0.00 H new ATOM 920 N GLU A 59 1.270 11.832 -18.425 1.00 0.00 N ATOM 921 CA GLU A 59 2.153 12.744 -19.109 1.00 0.00 C ATOM 922 C GLU A 59 2.758 13.755 -18.121 1.00 0.00 C ATOM 923 O GLU A 59 3.981 13.904 -18.095 1.00 0.00 O ATOM 924 CB GLU A 59 1.319 13.367 -20.236 1.00 0.00 C ATOM 925 CG GLU A 59 1.926 14.606 -20.877 1.00 0.00 C ATOM 926 CD GLU A 59 3.301 14.384 -21.541 1.00 0.00 C ATOM 927 OE1 GLU A 59 3.549 13.306 -22.127 1.00 0.00 O ATOM 928 OE2 GLU A 59 4.135 15.318 -21.526 1.00 0.00 O ATOM 0 H GLU A 59 0.297 11.915 -18.719 1.00 0.00 H new ATOM 0 HA GLU A 59 3.023 12.252 -19.545 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.163 12.615 -21.010 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.337 13.625 -19.840 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.233 14.986 -21.628 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.027 15.379 -20.116 1.00 0.00 H new ATOM 935 N ILE A 60 1.959 14.424 -17.276 1.00 0.00 N ATOM 936 CA ILE A 60 2.519 15.386 -16.333 1.00 0.00 C ATOM 937 C ILE A 60 3.306 14.676 -15.226 1.00 0.00 C ATOM 938 O ILE A 60 4.342 15.180 -14.802 1.00 0.00 O ATOM 939 CB ILE A 60 1.430 16.325 -15.777 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.433 15.590 -14.857 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.747 17.075 -16.938 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.752 16.427 -14.394 1.00 0.00 C ATOM 0 H ILE A 60 0.946 14.316 -17.230 1.00 0.00 H new ATOM 0 HA ILE A 60 3.228 16.017 -16.869 1.00 0.00 H new ATOM 0 HB ILE A 60 1.905 17.068 -15.136 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.056 14.713 -15.382 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.969 15.230 -13.979 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.022 17.738 -16.541 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.489 17.663 -17.478 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.290 16.355 -17.617 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.395 15.824 -13.753 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.391 17.291 -13.836 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.319 16.766 -15.261 1.00 0.00 H new ATOM 954 N LEU A 61 2.863 13.502 -14.767 1.00 0.00 N ATOM 955 CA LEU A 61 3.509 12.817 -13.655 1.00 0.00 C ATOM 956 C LEU A 61 4.867 12.261 -14.073 1.00 0.00 C ATOM 957 O LEU A 61 5.797 12.283 -13.267 1.00 0.00 O ATOM 958 CB LEU A 61 2.613 11.700 -13.101 1.00 0.00 C ATOM 959 CG LEU A 61 1.369 12.194 -12.339 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.474 11.004 -11.971 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.733 12.957 -11.067 1.00 0.00 C ATOM 0 H LEU A 61 2.057 13.009 -15.153 1.00 0.00 H new ATOM 0 HA LEU A 61 3.670 13.547 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.289 11.068 -13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.206 11.073 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 61 0.839 12.878 -13.001 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.404 11.362 -11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.158 10.492 -12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.031 10.312 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.822 13.284 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.299 12.306 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.338 13.826 -11.325 1.00 0.00 H new ATOM 973 N SER A 62 5.018 11.804 -15.320 1.00 0.00 N ATOM 974 CA SER A 62 6.323 11.388 -15.815 1.00 0.00 C ATOM 975 C SER A 62 7.265 12.590 -15.948 1.00 0.00 C ATOM 976 O SER A 62 8.449 12.464 -15.632 1.00 0.00 O ATOM 977 CB SER A 62 6.200 10.556 -17.100 1.00 0.00 C ATOM 978 OG SER A 62 5.336 11.132 -18.060 1.00 0.00 O ATOM 0 H SER A 62 4.258 11.715 -15.995 1.00 0.00 H new ATOM 0 HA SER A 62 6.778 10.724 -15.081 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.189 10.432 -17.540 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.837 9.560 -16.846 1.00 0.00 H new ATOM 0 HG SER A 62 4.420 10.819 -17.906 1.00 0.00 H new ATOM 984 N GLU A 63 6.758 13.775 -16.314 1.00 0.00 N ATOM 985 CA GLU A 63 7.550 15.005 -16.310 1.00 0.00 C ATOM 986 C GLU A 63 7.954 15.381 -14.872 1.00 0.00 C ATOM 987 O GLU A 63 9.093 15.789 -14.639 1.00 0.00 O ATOM 988 CB GLU A 63 6.771 16.128 -17.016 1.00 0.00 C ATOM 989 CG GLU A 63 7.617 17.396 -17.198 1.00 0.00 C ATOM 990 CD GLU A 63 6.866 18.471 -18.003 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.084 19.250 -17.410 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.072 18.572 -19.234 1.00 0.00 O ATOM 0 H GLU A 63 5.793 13.904 -16.619 1.00 0.00 H new ATOM 0 HA GLU A 63 8.475 14.848 -16.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.433 15.776 -17.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.879 16.368 -16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.888 17.796 -16.221 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.547 17.143 -17.708 1.00 0.00 H new ATOM 999 N MET A 64 7.059 15.181 -13.895 1.00 0.00 N ATOM 1000 CA MET A 64 7.340 15.354 -12.467 1.00 0.00 C ATOM 1001 C MET A 64 8.289 14.272 -11.921 1.00 0.00 C ATOM 1002 O MET A 64 8.756 14.396 -10.787 1.00 0.00 O ATOM 1003 CB MET A 64 6.029 15.390 -11.659 1.00 0.00 C ATOM 1004 CG MET A 64 5.195 16.646 -11.949 1.00 0.00 C ATOM 1005 SD MET A 64 3.535 16.668 -11.208 1.00 0.00 S ATOM 1006 CE MET A 64 3.954 16.855 -9.453 1.00 0.00 C ATOM 0 H MET A 64 6.100 14.888 -14.081 1.00 0.00 H new ATOM 0 HA MET A 64 7.851 16.310 -12.353 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.438 14.504 -11.891 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.261 15.349 -10.595 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.745 17.517 -11.593 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.094 16.753 -13.029 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.038 16.903 -8.863 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.550 16.002 -9.128 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.525 17.772 -9.311 1.00 0.00 H new ATOM 1016 N GLY A 65 8.602 13.228 -12.694 1.00 0.00 N ATOM 1017 CA GLY A 65 9.647 12.263 -12.380 1.00 0.00 C ATOM 1018 C GLY A 65 9.130 10.946 -11.800 1.00 0.00 C ATOM 1019 O GLY A 65 9.948 10.126 -11.381 1.00 0.00 O ATOM 0 H GLY A 65 8.123 13.031 -13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.214 12.050 -13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.340 12.713 -11.669 1.00 0.00 H new ATOM 1023 N TYR A 66 7.812 10.720 -11.745 1.00 0.00 N ATOM 1024 CA TYR A 66 7.280 9.401 -11.409 1.00 0.00 C ATOM 1025 C TYR A 66 7.564 8.456 -12.579 1.00 0.00 C ATOM 1026 O TYR A 66 7.484 8.862 -13.740 1.00 0.00 O ATOM 1027 CB TYR A 66 5.775 9.457 -11.113 1.00 0.00 C ATOM 1028 CG TYR A 66 5.398 10.196 -9.839 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.351 11.605 -9.813 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.098 9.468 -8.671 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.043 12.283 -8.621 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.784 10.139 -7.476 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.772 11.552 -7.441 1.00 0.00 C ATOM 1034 OH TYR A 66 4.524 12.216 -6.280 1.00 0.00 O ATOM 0 H TYR A 66 7.102 11.429 -11.928 1.00 0.00 H new ATOM 0 HA TYR A 66 7.767 9.038 -10.504 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.272 9.934 -11.954 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.394 8.438 -11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.553 12.166 -10.714 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.109 8.388 -8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.013 13.362 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.552 9.575 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 66 4.419 11.571 -5.550 1.00 0.00 H new ATOM 1044 N THR A 67 7.851 7.189 -12.286 1.00 0.00 N ATOM 1045 CA THR A 67 8.320 6.222 -13.284 1.00 0.00 C ATOM 1046 C THR A 67 7.461 4.946 -13.312 1.00 0.00 C ATOM 1047 O THR A 67 7.769 4.015 -14.060 1.00 0.00 O ATOM 1048 CB THR A 67 9.826 5.957 -13.044 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.146 5.908 -11.663 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.677 7.078 -13.654 1.00 0.00 C ATOM 0 H THR A 67 7.765 6.800 -11.347 1.00 0.00 H new ATOM 0 HA THR A 67 8.204 6.640 -14.284 1.00 0.00 H new ATOM 0 HB THR A 67 10.039 4.995 -13.511 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.114 4.979 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.732 6.873 -13.474 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.495 7.130 -14.727 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.409 8.029 -13.194 1.00 0.00 H new ATOM 1058 N HIS A 68 6.372 4.902 -12.530 1.00 0.00 N ATOM 1059 CA HIS A 68 5.533 3.713 -12.338 1.00 0.00 C ATOM 1060 C HIS A 68 4.051 4.106 -12.323 1.00 0.00 C ATOM 1061 O HIS A 68 3.239 3.520 -11.607 1.00 0.00 O ATOM 1062 CB HIS A 68 5.956 2.966 -11.057 1.00 0.00 C ATOM 1063 CG HIS A 68 7.447 2.785 -10.923 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.213 1.740 -11.388 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.306 3.722 -10.422 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.504 2.049 -11.173 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.616 3.255 -10.581 1.00 0.00 N ATOM 0 H HIS A 68 6.044 5.711 -12.002 1.00 0.00 H new ATOM 0 HA HIS A 68 5.675 3.028 -13.174 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.586 3.513 -10.190 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.478 1.987 -11.044 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.864 0.884 -11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.022 4.665 -9.978 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.338 1.417 -11.439 1.00 0.00 H new ATOM 1075 N VAL A 69 3.705 5.152 -13.073 1.00 0.00 N ATOM 1076 CA VAL A 69 2.319 5.544 -13.285 1.00 0.00 C ATOM 1077 C VAL A 69 1.758 4.579 -14.329 1.00 0.00 C ATOM 1078 O VAL A 69 2.405 4.350 -15.356 1.00 0.00 O ATOM 1079 CB VAL A 69 2.226 7.011 -13.749 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.770 7.497 -13.745 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.067 7.950 -12.871 1.00 0.00 C ATOM 0 H VAL A 69 4.381 5.749 -13.549 1.00 0.00 H new ATOM 0 HA VAL A 69 1.742 5.488 -12.362 1.00 0.00 H new ATOM 0 HB VAL A 69 2.621 7.039 -14.764 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.732 8.535 -14.076 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.178 6.879 -14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.365 7.423 -12.736 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.971 8.973 -13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.715 7.897 -11.841 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.113 7.647 -12.913 1.00 0.00 H new ATOM 1091 N GLU A 70 0.567 4.031 -14.102 1.00 0.00 N ATOM 1092 CA GLU A 70 -0.042 3.056 -14.995 1.00 0.00 C ATOM 1093 C GLU A 70 -1.534 3.354 -15.071 1.00 0.00 C ATOM 1094 O GLU A 70 -2.216 3.390 -14.043 1.00 0.00 O ATOM 1095 CB GLU A 70 0.250 1.640 -14.472 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.322 0.558 -15.398 1.00 0.00 C ATOM 1097 CD GLU A 70 0.110 -0.847 -14.950 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.421 -1.347 -13.933 1.00 0.00 O ATOM 1099 OE2 GLU A 70 0.969 -1.468 -15.619 1.00 0.00 O ATOM 0 H GLU A 70 -0.004 4.254 -13.287 1.00 0.00 H new ATOM 0 HA GLU A 70 0.371 3.118 -16.002 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.327 1.503 -14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.176 1.526 -13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.410 0.621 -15.405 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.014 0.736 -16.419 1.00 0.00 H new ATOM 1106 N ASN A 71 -2.045 3.590 -16.284 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.477 3.753 -16.480 1.00 0.00 C ATOM 1108 C ASN A 71 -4.144 2.382 -16.424 1.00 0.00 C ATOM 1109 O ASN A 71 -3.954 1.565 -17.327 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.821 4.479 -17.787 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.333 4.482 -18.028 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.796 4.166 -19.118 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.138 4.812 -17.026 1.00 0.00 N ATOM 0 H ASN A 71 -1.488 3.671 -17.135 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.858 4.386 -15.678 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.453 5.504 -17.746 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.316 3.992 -18.622 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.149 4.804 -17.160 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.746 5.074 -16.122 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.921 2.136 -15.369 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.671 0.898 -15.205 1.00 0.00 C ATOM 1122 C ALA A 72 -6.818 0.786 -16.222 1.00 0.00 C ATOM 1123 O ALA A 72 -7.182 -0.328 -16.601 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.207 0.832 -13.774 1.00 0.00 C ATOM 0 H ALA A 72 -5.046 2.796 -14.602 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.004 0.056 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.771 -0.091 -13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.374 0.854 -13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.859 1.686 -13.590 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.385 1.915 -16.662 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.492 1.973 -17.610 1.00 0.00 C ATOM 1132 C GLY A 73 -9.387 3.162 -17.279 1.00 0.00 C ATOM 1133 O GLY A 73 -8.899 4.210 -16.846 1.00 0.00 O ATOM 0 H GLY A 73 -7.074 2.837 -16.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.109 2.065 -18.626 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.068 1.049 -17.569 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.696 2.981 -17.447 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.729 3.890 -16.967 1.00 0.00 C ATOM 1139 C GLY A 74 -12.704 3.086 -16.110 1.00 0.00 C ATOM 1140 O GLY A 74 -12.709 1.856 -16.191 1.00 0.00 O ATOM 0 H GLY A 74 -11.076 2.171 -17.937 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.285 4.697 -16.384 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.250 4.352 -17.806 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.518 3.765 -15.292 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.342 3.163 -14.229 1.00 0.00 C ATOM 1146 C LEU A 75 -15.032 1.854 -14.637 1.00 0.00 C ATOM 1147 O LEU A 75 -14.970 0.867 -13.901 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.400 4.185 -13.763 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.275 3.691 -12.582 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.505 3.735 -11.257 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.546 4.536 -12.480 1.00 0.00 C ATOM 0 H LEU A 75 -13.627 4.777 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.661 2.905 -13.418 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.896 5.106 -13.469 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.048 4.431 -14.604 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.547 2.654 -12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.148 3.382 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.625 3.095 -11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.194 4.759 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.153 4.181 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -17.277 5.579 -12.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.115 4.451 -13.406 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.688 1.843 -15.802 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.494 0.712 -16.268 1.00 0.00 C ATOM 1165 C LYS A 76 -15.673 -0.539 -16.601 1.00 0.00 C ATOM 1166 O LYS A 76 -16.259 -1.608 -16.774 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.362 1.143 -17.467 1.00 0.00 C ATOM 1168 CG LYS A 76 -16.549 1.552 -18.713 1.00 0.00 C ATOM 1169 CD LYS A 76 -17.433 1.850 -19.934 1.00 0.00 C ATOM 1170 CE LYS A 76 -18.350 3.065 -19.718 1.00 0.00 C ATOM 1171 NZ LYS A 76 -19.167 3.369 -20.919 1.00 0.00 N ATOM 0 H LYS A 76 -15.674 2.627 -16.454 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.136 0.423 -15.436 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -18.029 0.323 -17.734 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.991 1.980 -17.165 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.953 2.434 -18.478 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.851 0.753 -18.963 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.799 2.028 -20.802 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.043 0.975 -20.159 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.009 2.875 -18.871 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.745 3.935 -19.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.770 4.195 -20.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.540 3.576 -21.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.765 2.550 -21.149 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.347 -0.428 -16.712 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.473 -1.478 -17.238 1.00 0.00 C ATOM 1187 C ASP A 77 -12.460 -1.972 -16.199 1.00 0.00 C ATOM 1188 O ASP A 77 -11.840 -3.017 -16.401 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.758 -0.944 -18.488 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.894 -2.018 -19.171 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.454 -3.012 -19.689 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.658 -1.845 -19.252 1.00 0.00 O ATOM 0 H ASP A 77 -13.841 0.412 -16.433 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.088 -2.340 -17.497 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.498 -0.572 -19.196 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.129 -0.098 -18.210 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.302 -1.266 -15.071 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.411 -1.696 -13.992 1.00 0.00 C ATOM 1199 C ILE A 78 -11.964 -3.009 -13.420 1.00 0.00 C ATOM 1200 O ILE A 78 -13.161 -3.093 -13.138 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.283 -0.621 -12.881 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -11.238 0.841 -13.373 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.034 -0.904 -12.027 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.126 1.170 -14.375 1.00 0.00 C ATOM 0 H ILE A 78 -12.786 -0.388 -14.884 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.407 -1.845 -14.390 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.201 -0.706 -12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.198 1.081 -13.831 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.126 1.493 -12.507 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.947 -0.147 -11.248 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.122 -1.889 -11.568 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.147 -0.877 -12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.187 2.222 -14.654 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.156 0.971 -13.920 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.243 0.552 -15.265 1.00 0.00 H new ATOM 1216 N ALA A 79 -11.108 -4.014 -13.207 1.00 0.00 N ATOM 1217 CA ALA A 79 -11.510 -5.287 -12.603 1.00 0.00 C ATOM 1218 C ALA A 79 -11.797 -5.160 -11.095 1.00 0.00 C ATOM 1219 O ALA A 79 -12.463 -6.024 -10.521 1.00 0.00 O ATOM 1220 CB ALA A 79 -10.412 -6.329 -12.842 1.00 0.00 C ATOM 0 H ALA A 79 -10.118 -3.967 -13.448 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.440 -5.601 -13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.707 -7.278 -12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.265 -6.464 -13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.481 -5.988 -12.388 1.00 0.00 H new ATOM 1226 N MET A 80 -11.279 -4.109 -10.451 1.00 0.00 N ATOM 1227 CA MET A 80 -11.462 -3.828 -9.026 1.00 0.00 C ATOM 1228 C MET A 80 -12.945 -3.587 -8.701 1.00 0.00 C ATOM 1229 O MET A 80 -13.699 -3.161 -9.583 1.00 0.00 O ATOM 1230 CB MET A 80 -10.651 -2.577 -8.643 1.00 0.00 C ATOM 1231 CG MET A 80 -9.131 -2.758 -8.753 1.00 0.00 C ATOM 1232 SD MET A 80 -8.394 -3.909 -7.558 1.00 0.00 S ATOM 1233 CE MET A 80 -8.445 -2.889 -6.057 1.00 0.00 C ATOM 0 H MET A 80 -10.704 -3.411 -10.922 1.00 0.00 H new ATOM 0 HA MET A 80 -11.115 -4.690 -8.457 1.00 0.00 H new ATOM 0 HB2 MET A 80 -10.955 -1.750 -9.284 1.00 0.00 H new ATOM 0 HB3 MET A 80 -10.899 -2.295 -7.620 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.896 -3.106 -9.759 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.657 -1.784 -8.633 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.978 -3.430 -5.234 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.906 -1.958 -6.232 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.481 -2.667 -5.803 1.00 0.00 H new ATOM 1243 N PRO A 81 -13.380 -3.790 -7.443 1.00 0.00 N ATOM 1244 CA PRO A 81 -14.704 -3.375 -7.000 1.00 0.00 C ATOM 1245 C PRO A 81 -14.803 -1.847 -6.982 1.00 0.00 C ATOM 1246 O PRO A 81 -13.799 -1.136 -6.861 1.00 0.00 O ATOM 1247 CB PRO A 81 -14.876 -3.981 -5.603 1.00 0.00 C ATOM 1248 CG PRO A 81 -13.444 -4.071 -5.077 1.00 0.00 C ATOM 1249 CD PRO A 81 -12.629 -4.370 -6.335 1.00 0.00 C ATOM 0 HA PRO A 81 -15.494 -3.718 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.499 -3.353 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.351 -4.961 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.129 -3.140 -4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.338 -4.859 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.632 -3.934 -6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.499 -5.444 -6.471 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.030 -1.336 -7.068 1.00 0.00 N ATOM 1258 CA LYS A 82 -16.319 0.090 -7.092 1.00 0.00 C ATOM 1259 C LYS A 82 -17.616 0.349 -6.331 1.00 0.00 C ATOM 1260 O LYS A 82 -18.491 -0.519 -6.295 1.00 0.00 O ATOM 1261 CB LYS A 82 -16.344 0.636 -8.538 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.382 0.029 -9.502 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.012 -1.302 -10.177 1.00 0.00 C ATOM 1264 CE LYS A 82 -15.845 -1.168 -11.167 1.00 0.00 C ATOM 1265 NZ LYS A 82 -15.429 -2.493 -11.681 1.00 0.00 N ATOM 0 H LYS A 82 -16.866 -1.917 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.521 0.636 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.516 1.711 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.355 0.490 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -18.311 -0.117 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.587 0.760 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.749 -2.031 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.884 -1.692 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.141 -0.528 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.001 -0.683 -10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.710 -2.368 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.031 -3.057 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.254 -2.986 -12.079 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.722 1.522 -5.710 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.810 1.912 -4.817 1.00 0.00 C ATOM 1281 C VAL A 83 -19.052 3.419 -4.957 1.00 0.00 C ATOM 1282 O VAL A 83 -18.188 4.145 -5.462 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.475 1.525 -3.353 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.416 0.005 -3.137 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -17.153 2.133 -2.857 1.00 0.00 C ATOM 0 H VAL A 83 -17.023 2.257 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.722 1.382 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.299 1.941 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -18.178 -0.205 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.382 -0.435 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.646 -0.424 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.975 1.825 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.334 1.785 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.212 3.220 -2.906 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.210 3.909 -4.503 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.531 5.341 -4.491 1.00 0.00 C ATOM 1297 C LYS A 84 -19.452 6.120 -3.727 1.00 0.00 C ATOM 1298 O LYS A 84 -18.852 5.585 -2.789 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.917 5.571 -3.858 1.00 0.00 C ATOM 1300 CG LYS A 84 -23.080 4.816 -4.529 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.311 5.214 -5.995 1.00 0.00 C ATOM 1302 CE LYS A 84 -24.514 4.492 -6.623 1.00 0.00 C ATOM 1303 NZ LYS A 84 -25.818 4.925 -6.057 1.00 0.00 N ATOM 0 H LYS A 84 -20.956 3.320 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.557 5.705 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -21.872 5.278 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.137 6.638 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.883 3.745 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -23.994 4.999 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.467 6.291 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -22.415 4.989 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.515 4.670 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.401 3.418 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.590 4.427 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -25.848 4.701 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.930 5.951 -6.188 1.00 0.00 H new ATOM 1317 N GLY A 85 -19.204 7.370 -4.130 1.00 0.00 N ATOM 1318 CA GLY A 85 -18.281 8.256 -3.434 1.00 0.00 C ATOM 1319 C GLY A 85 -18.727 8.441 -1.987 1.00 0.00 C ATOM 1320 O GLY A 85 -19.935 8.666 -1.757 1.00 0.00 O ATOM 1321 OXT GLY A 85 -17.870 8.376 -1.083 1.00 0.00 O ATOM 0 H GLY A 85 -19.641 7.792 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.274 7.840 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.242 9.222 -3.937 1.00 0.00 H new TER 1325 GLY A 85