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 43 THR OG1 : rot 85:sc= 1.96 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.836 K(o=2.8,f=-3.6!) USER MOD Set 2.1: A 48 CYS SG : rot -15:sc= 2.32 USER MOD Set 2.2: A 54 SER OG : rot -74:sc= 0.985 USER MOD Set 2.3: A 71 ASN :FLIP amide:sc= -0.0932 F(o=2.5,f=3.2) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.729 K(o=1.6,f=-1.9) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.884 K(o=1.6,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.025) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.844 K(o=0.84,f=-2.8!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.03 K(o=1,f=-0.71) 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+ -171:sc= 1.18 (180deg=1.09) USER MOD Single : A 41 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.02) USER MOD Single : A 47 TYR OH : rot 50:sc= 0.319 USER MOD Single : A 53 GLN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.18) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.08) USER MOD Single : A 62 SER OG : rot 82:sc= 1.24 USER MOD Single : A 64 MET CE :methyl -163:sc= -0.0306 (180deg=-0.384) USER MOD Single : A 66 TYR OH : rot -179:sc= 1.26 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -131:sc= 0 (180deg=-0.25) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 2.16 (180deg=2.03) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.733 -0.539 1.858 1.00 0.00 N ATOM 2 CA ALA A 1 0.694 -0.586 0.378 1.00 0.00 C ATOM 3 C ALA A 1 1.433 -1.833 -0.132 1.00 0.00 C ATOM 4 O ALA A 1 2.531 -1.726 -0.685 1.00 0.00 O ATOM 5 CB ALA A 1 1.246 0.720 -0.232 1.00 0.00 C ATOM 0 H1 ALA A 1 0.230 0.308 2.192 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.274 -1.389 2.245 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.722 -0.503 2.178 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.343 -0.666 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.206 0.659 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.643 1.563 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.279 0.862 0.086 1.00 0.00 H new ATOM 13 N GLU A 2 0.856 -3.030 0.032 1.00 0.00 N ATOM 14 CA GLU A 2 1.444 -4.290 -0.411 1.00 0.00 C ATOM 15 C GLU A 2 0.327 -5.286 -0.733 1.00 0.00 C ATOM 16 O GLU A 2 -0.658 -5.386 0.003 1.00 0.00 O ATOM 17 CB GLU A 2 2.349 -4.832 0.716 1.00 0.00 C ATOM 18 CG GLU A 2 3.001 -6.190 0.414 1.00 0.00 C ATOM 19 CD GLU A 2 3.755 -6.738 1.637 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.900 -6.304 1.891 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.227 -7.640 2.327 1.00 0.00 O ATOM 0 H GLU A 2 -0.050 -3.147 0.486 1.00 0.00 H new ATOM 0 HA GLU A 2 2.041 -4.139 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.134 -4.103 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.758 -4.922 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.235 -6.903 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.691 -6.085 -0.423 1.00 0.00 H new ATOM 28 N HIS A 3 0.537 -6.058 -1.799 1.00 0.00 N ATOM 29 CA HIS A 3 -0.207 -7.247 -2.175 1.00 0.00 C ATOM 30 C HIS A 3 0.827 -8.270 -2.639 1.00 0.00 C ATOM 31 O HIS A 3 1.921 -7.903 -3.081 1.00 0.00 O ATOM 32 CB HIS A 3 -1.178 -6.977 -3.334 1.00 0.00 C ATOM 33 CG HIS A 3 -2.188 -5.887 -3.086 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.194 -5.885 -2.144 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.306 -4.730 -3.805 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.895 -4.748 -2.292 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.396 -4.009 -3.301 1.00 0.00 N ATOM 0 H HIS A 3 1.283 -5.850 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.798 -7.591 -1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.598 -6.718 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.712 -7.900 -3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.668 -4.425 -4.621 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.742 -4.466 -1.685 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.741 -3.108 -3.631 1.00 0.00 H new ATOM 45 N TRP A 4 0.452 -9.545 -2.613 1.00 0.00 N ATOM 46 CA TRP A 4 1.260 -10.639 -3.121 1.00 0.00 C ATOM 47 C TRP A 4 0.408 -11.325 -4.176 1.00 0.00 C ATOM 48 O TRP A 4 -0.762 -11.617 -3.915 1.00 0.00 O ATOM 49 CB TRP A 4 1.586 -11.615 -1.987 1.00 0.00 C ATOM 50 CG TRP A 4 2.542 -11.127 -0.944 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.250 -10.248 0.040 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.947 -11.483 -0.753 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.366 -10.024 0.814 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.442 -10.772 0.383 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.855 -12.330 -1.427 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.769 -10.891 0.824 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.185 -12.463 -0.985 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.645 -11.745 0.133 1.00 0.00 C ATOM 0 H TRP A 4 -0.443 -9.849 -2.229 1.00 0.00 H new ATOM 0 HA TRP A 4 2.205 -10.289 -3.535 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.654 -11.890 -1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.995 -12.525 -2.426 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.285 -9.789 0.196 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.394 -9.384 1.608 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.524 -12.883 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.112 -10.334 1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.859 -13.123 -1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.669 -11.850 0.460 1.00 0.00 H new ATOM 69 N ILE A 5 0.973 -11.577 -5.353 1.00 0.00 N ATOM 70 CA ILE A 5 0.221 -12.028 -6.512 1.00 0.00 C ATOM 71 C ILE A 5 0.922 -13.271 -7.038 1.00 0.00 C ATOM 72 O ILE A 5 2.014 -13.211 -7.605 1.00 0.00 O ATOM 73 CB ILE A 5 0.077 -10.908 -7.568 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.503 -9.585 -7.012 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.806 -11.403 -8.724 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.959 -9.639 -6.550 1.00 0.00 C ATOM 0 H ILE A 5 1.973 -11.472 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.805 -12.280 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 5 1.087 -10.682 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.113 -9.265 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.414 -8.819 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.907 -10.613 -9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.347 -12.278 -9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.791 -11.669 -8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.260 -8.659 -6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.596 -9.922 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.060 -10.375 -5.752 1.00 0.00 H new ATOM 88 N ASP A 6 0.290 -14.411 -6.805 1.00 0.00 N ATOM 89 CA ASP A 6 0.674 -15.671 -7.400 1.00 0.00 C ATOM 90 C ASP A 6 0.314 -15.612 -8.884 1.00 0.00 C ATOM 91 O ASP A 6 -0.871 -15.544 -9.221 1.00 0.00 O ATOM 92 CB ASP A 6 -0.090 -16.792 -6.704 1.00 0.00 C ATOM 93 CG ASP A 6 0.139 -18.114 -7.417 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.204 -18.723 -7.174 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.762 -18.559 -8.155 1.00 0.00 O ATOM 0 H ASP A 6 -0.517 -14.482 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 6 1.742 -15.858 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.234 -16.871 -5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.155 -16.560 -6.689 1.00 0.00 H new ATOM 100 N VAL A 7 1.323 -15.623 -9.758 1.00 0.00 N ATOM 101 CA VAL A 7 1.149 -15.625 -11.216 1.00 0.00 C ATOM 102 C VAL A 7 1.392 -17.020 -11.811 1.00 0.00 C ATOM 103 O VAL A 7 1.384 -17.195 -13.032 1.00 0.00 O ATOM 104 CB VAL A 7 2.012 -14.529 -11.877 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.634 -13.125 -11.383 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.518 -14.742 -11.666 1.00 0.00 C ATOM 0 H VAL A 7 2.301 -15.631 -9.470 1.00 0.00 H new ATOM 0 HA VAL A 7 0.110 -15.380 -11.437 1.00 0.00 H new ATOM 0 HB VAL A 7 1.801 -14.608 -12.943 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.266 -12.384 -11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.589 -12.925 -11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.779 -13.068 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.071 -13.939 -12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.740 -14.739 -10.599 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.814 -15.699 -12.095 1.00 0.00 H new ATOM 116 N ARG A 8 1.637 -18.004 -10.944 1.00 0.00 N ATOM 117 CA ARG A 8 1.796 -19.424 -11.240 1.00 0.00 C ATOM 118 C ARG A 8 0.478 -19.996 -11.770 1.00 0.00 C ATOM 119 O ARG A 8 -0.567 -19.344 -11.702 1.00 0.00 O ATOM 120 CB ARG A 8 2.147 -20.070 -9.891 1.00 0.00 C ATOM 121 CG ARG A 8 2.711 -21.500 -9.846 1.00 0.00 C ATOM 122 CD ARG A 8 3.190 -21.887 -8.428 1.00 0.00 C ATOM 123 NE ARG A 8 2.434 -21.208 -7.362 1.00 0.00 N ATOM 124 CZ ARG A 8 2.117 -21.632 -6.142 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.476 -22.821 -5.673 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.411 -20.811 -5.387 1.00 0.00 N ATOM 0 H ARG A 8 1.736 -17.813 -9.947 1.00 0.00 H new ATOM 0 HA ARG A 8 2.559 -19.608 -11.996 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.871 -19.420 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.243 -20.059 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.945 -22.203 -10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.543 -21.584 -10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.098 -22.966 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.248 -21.643 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 8 2.104 -20.271 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.020 -23.456 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.207 -23.099 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.134 -19.898 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.143 -21.090 -4.443 1.00 0.00 H new ATOM 140 N VAL A 9 0.510 -21.237 -12.257 1.00 0.00 N ATOM 141 CA VAL A 9 -0.719 -21.959 -12.563 1.00 0.00 C ATOM 142 C VAL A 9 -1.518 -22.186 -11.264 1.00 0.00 C ATOM 143 O VAL A 9 -0.925 -22.486 -10.220 1.00 0.00 O ATOM 144 CB VAL A 9 -0.420 -23.267 -13.331 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.147 -22.951 -14.724 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.548 -24.216 -12.603 1.00 0.00 C ATOM 0 H VAL A 9 1.367 -21.757 -12.446 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.341 -21.361 -13.230 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.377 -23.784 -13.406 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.353 -23.882 -15.253 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.579 -22.366 -15.288 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.070 -22.381 -14.620 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.705 -25.109 -13.208 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.502 -23.712 -12.445 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.124 -24.500 -11.640 1.00 0.00 H new ATOM 156 N PRO A 10 -2.859 -22.088 -11.301 1.00 0.00 N ATOM 157 CA PRO A 10 -3.690 -22.142 -10.100 1.00 0.00 C ATOM 158 C PRO A 10 -3.718 -23.535 -9.461 1.00 0.00 C ATOM 159 O PRO A 10 -4.040 -23.669 -8.280 1.00 0.00 O ATOM 160 CB PRO A 10 -5.078 -21.694 -10.561 1.00 0.00 C ATOM 161 CG PRO A 10 -5.123 -22.101 -12.030 1.00 0.00 C ATOM 162 CD PRO A 10 -3.686 -21.853 -12.480 1.00 0.00 C ATOM 0 HA PRO A 10 -3.293 -21.498 -9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.866 -22.181 -9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.212 -20.619 -10.439 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.414 -23.144 -12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.836 -21.502 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.409 -22.524 -13.293 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.561 -20.835 -12.850 1.00 0.00 H new ATOM 170 N GLU A 11 -3.368 -24.582 -10.210 1.00 0.00 N ATOM 171 CA GLU A 11 -3.290 -25.951 -9.702 1.00 0.00 C ATOM 172 C GLU A 11 -2.256 -26.070 -8.576 1.00 0.00 C ATOM 173 O GLU A 11 -2.424 -26.899 -7.682 1.00 0.00 O ATOM 174 CB GLU A 11 -2.949 -26.918 -10.847 1.00 0.00 C ATOM 175 CG GLU A 11 -4.055 -26.976 -11.910 1.00 0.00 C ATOM 176 CD GLU A 11 -3.738 -28.016 -12.999 1.00 0.00 C ATOM 177 OE1 GLU A 11 -4.131 -29.197 -12.855 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.109 -27.663 -14.023 1.00 0.00 O ATOM 0 H GLU A 11 -3.128 -24.501 -11.198 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.263 -26.216 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.014 -26.608 -11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.786 -27.916 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.005 -27.223 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.173 -25.994 -12.367 1.00 0.00 H new ATOM 185 N GLN A 12 -1.201 -25.245 -8.588 1.00 0.00 N ATOM 186 CA GLN A 12 -0.172 -25.266 -7.552 1.00 0.00 C ATOM 187 C GLN A 12 -0.513 -24.293 -6.418 1.00 0.00 C ATOM 188 O GLN A 12 -0.160 -24.555 -5.268 1.00 0.00 O ATOM 189 CB GLN A 12 1.192 -24.943 -8.171 1.00 0.00 C ATOM 190 CG GLN A 12 1.679 -26.022 -9.155 1.00 0.00 C ATOM 191 CD GLN A 12 3.054 -25.694 -9.747 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.934 -25.158 -9.077 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.276 -25.996 -11.016 1.00 0.00 N ATOM 0 H GLN A 12 -1.041 -24.548 -9.315 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.129 -26.265 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.131 -23.987 -8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.927 -24.827 -7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.727 -26.983 -8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.954 -26.127 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.544 -26.441 -11.570 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.179 -25.784 -11.440 1.00 0.00 H new ATOM 202 N TYR A 13 -1.250 -23.210 -6.696 1.00 0.00 N ATOM 203 CA TYR A 13 -1.779 -22.319 -5.659 1.00 0.00 C ATOM 204 C TYR A 13 -2.645 -23.105 -4.674 1.00 0.00 C ATOM 205 O TYR A 13 -2.527 -22.938 -3.461 1.00 0.00 O ATOM 206 CB TYR A 13 -2.578 -21.190 -6.320 1.00 0.00 C ATOM 207 CG TYR A 13 -3.095 -20.123 -5.372 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.272 -19.035 -5.030 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.418 -20.175 -4.888 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.768 -17.981 -4.244 1.00 0.00 C ATOM 211 CE2 TYR A 13 -4.918 -19.133 -4.084 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.097 -18.025 -3.767 1.00 0.00 C ATOM 213 OH TYR A 13 -4.573 -16.988 -3.023 1.00 0.00 O ATOM 0 H TYR A 13 -1.495 -22.928 -7.645 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.954 -21.881 -5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.948 -20.712 -7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.426 -21.627 -6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.249 -19.009 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.049 -21.016 -5.134 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.135 -17.139 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.930 -19.179 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.503 -17.166 -2.771 1.00 0.00 H new ATOM 223 N GLN A 14 -3.455 -24.032 -5.190 1.00 0.00 N ATOM 224 CA GLN A 14 -4.297 -24.929 -4.401 1.00 0.00 C ATOM 225 C GLN A 14 -3.490 -25.961 -3.586 1.00 0.00 C ATOM 226 O GLN A 14 -4.096 -26.777 -2.892 1.00 0.00 O ATOM 227 CB GLN A 14 -5.300 -25.610 -5.350 1.00 0.00 C ATOM 228 CG GLN A 14 -6.342 -24.616 -5.890 1.00 0.00 C ATOM 229 CD GLN A 14 -7.117 -25.206 -7.066 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.157 -25.841 -6.902 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.619 -25.013 -8.276 1.00 0.00 N ATOM 0 H GLN A 14 -3.545 -24.182 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.829 -24.338 -3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.762 -26.061 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.808 -26.418 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.036 -24.345 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.844 -23.699 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.755 -24.484 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.099 -25.393 -9.092 1.00 0.00 H new ATOM 240 N GLN A 15 -2.152 -25.939 -3.640 1.00 0.00 N ATOM 241 CA GLN A 15 -1.282 -26.861 -2.917 1.00 0.00 C ATOM 242 C GLN A 15 -0.367 -26.104 -1.955 1.00 0.00 C ATOM 243 O GLN A 15 -0.152 -26.575 -0.840 1.00 0.00 O ATOM 244 CB GLN A 15 -0.478 -27.723 -3.904 1.00 0.00 C ATOM 245 CG GLN A 15 -1.377 -28.644 -4.744 1.00 0.00 C ATOM 246 CD GLN A 15 -0.572 -29.423 -5.786 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.225 -30.299 -5.459 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.758 -29.123 -7.061 1.00 0.00 N ATOM 0 H GLN A 15 -1.637 -25.262 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.901 -27.529 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.093 -27.074 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.242 -28.327 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.896 -29.343 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.141 -28.049 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.422 -28.394 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.237 -29.621 -7.783 1.00 0.00 H new ATOM 257 N GLU A 16 0.117 -24.917 -2.328 1.00 0.00 N ATOM 258 CA GLU A 16 0.867 -24.028 -1.446 1.00 0.00 C ATOM 259 C GLU A 16 0.755 -22.610 -1.995 1.00 0.00 C ATOM 260 O GLU A 16 0.974 -22.408 -3.191 1.00 0.00 O ATOM 261 CB GLU A 16 2.342 -24.483 -1.389 1.00 0.00 C ATOM 262 CG GLU A 16 3.146 -23.840 -0.253 1.00 0.00 C ATOM 263 CD GLU A 16 4.549 -24.462 -0.140 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.668 -25.590 0.390 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.538 -23.801 -0.527 1.00 0.00 O ATOM 0 H GLU A 16 -0.005 -24.543 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 16 0.465 -24.057 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.374 -25.567 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.822 -24.248 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.234 -22.768 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.613 -23.966 0.689 1.00 0.00 H new ATOM 272 N HIS A 17 0.459 -21.622 -1.150 1.00 0.00 N ATOM 273 CA HIS A 17 0.505 -20.207 -1.504 1.00 0.00 C ATOM 274 C HIS A 17 0.806 -19.370 -0.261 1.00 0.00 C ATOM 275 O HIS A 17 0.545 -19.813 0.859 1.00 0.00 O ATOM 276 CB HIS A 17 -0.810 -19.781 -2.170 1.00 0.00 C ATOM 277 CG HIS A 17 -2.072 -19.972 -1.363 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.876 -21.087 -1.375 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.725 -19.017 -0.630 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.980 -20.816 -0.662 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.938 -19.559 -0.181 1.00 0.00 N ATOM 0 H HIS A 17 0.176 -21.788 -0.184 1.00 0.00 H new ATOM 0 HA HIS A 17 1.306 -20.040 -2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.731 -18.726 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.915 -20.336 -3.102 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.669 -21.968 -1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.367 -18.018 -0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.791 -21.510 -0.497 1.00 0.00 H new ATOM 289 N VAL A 18 1.366 -18.173 -0.453 1.00 0.00 N ATOM 290 CA VAL A 18 1.635 -17.227 0.628 1.00 0.00 C ATOM 291 C VAL A 18 0.296 -16.834 1.260 1.00 0.00 C ATOM 292 O VAL A 18 -0.674 -16.544 0.553 1.00 0.00 O ATOM 293 CB VAL A 18 2.413 -15.998 0.100 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.718 -14.987 1.215 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.744 -16.405 -0.547 1.00 0.00 C ATOM 0 H VAL A 18 1.647 -17.832 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 18 2.267 -17.686 1.388 1.00 0.00 H new ATOM 0 HB VAL A 18 1.764 -15.536 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.265 -14.141 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.784 -14.635 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.322 -15.466 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.261 -15.515 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.366 -16.914 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.551 -17.075 -1.385 1.00 0.00 H new ATOM 305 N GLN A 19 0.244 -16.816 2.592 1.00 0.00 N ATOM 306 CA GLN A 19 -0.934 -16.409 3.342 1.00 0.00 C ATOM 307 C GLN A 19 -1.327 -14.979 2.939 1.00 0.00 C ATOM 308 O GLN A 19 -0.499 -14.067 2.992 1.00 0.00 O ATOM 309 CB GLN A 19 -0.626 -16.546 4.843 1.00 0.00 C ATOM 310 CG GLN A 19 -1.848 -16.287 5.735 1.00 0.00 C ATOM 311 CD GLN A 19 -1.513 -16.520 7.209 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.777 -17.583 7.766 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.915 -15.544 7.876 1.00 0.00 N ATOM 0 H GLN A 19 1.030 -17.087 3.183 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.790 -17.046 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.246 -17.549 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.166 -15.847 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.194 -15.263 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.666 -16.943 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.699 -14.664 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.671 -15.672 8.858 1.00 0.00 H new ATOM 322 N GLY A 20 -2.589 -14.784 2.545 1.00 0.00 N ATOM 323 CA GLY A 20 -3.144 -13.473 2.215 1.00 0.00 C ATOM 324 C GLY A 20 -2.831 -12.996 0.791 1.00 0.00 C ATOM 325 O GLY A 20 -3.164 -11.857 0.455 1.00 0.00 O ATOM 0 H GLY A 20 -3.261 -15.545 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.226 -13.506 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.760 -12.740 2.924 1.00 0.00 H new ATOM 329 N ALA A 21 -2.196 -13.825 -0.047 1.00 0.00 N ATOM 330 CA ALA A 21 -1.972 -13.525 -1.460 1.00 0.00 C ATOM 331 C ALA A 21 -3.279 -13.574 -2.271 1.00 0.00 C ATOM 332 O ALA A 21 -4.348 -13.896 -1.744 1.00 0.00 O ATOM 333 CB ALA A 21 -0.957 -14.528 -2.019 1.00 0.00 C ATOM 0 H ALA A 21 -1.822 -14.729 0.242 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.585 -12.510 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.780 -14.317 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.020 -14.442 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.349 -15.540 -1.913 1.00 0.00 H new ATOM 339 N ILE A 22 -3.167 -13.308 -3.575 1.00 0.00 N ATOM 340 CA ILE A 22 -4.220 -13.504 -4.568 1.00 0.00 C ATOM 341 C ILE A 22 -3.624 -14.388 -5.665 1.00 0.00 C ATOM 342 O ILE A 22 -2.458 -14.215 -6.025 1.00 0.00 O ATOM 343 CB ILE A 22 -4.728 -12.167 -5.182 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.490 -10.921 -4.290 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.214 -12.326 -5.556 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.087 -9.611 -4.823 1.00 0.00 C ATOM 0 H ILE A 22 -2.308 -12.937 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.086 -13.963 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.133 -11.972 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.907 -11.116 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.416 -10.786 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.582 -11.395 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.322 -13.131 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.791 -12.565 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.866 -8.801 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.653 -9.383 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.167 -9.718 -4.924 1.00 0.00 H new ATOM 358 N ASN A 23 -4.420 -15.302 -6.222 1.00 0.00 N ATOM 359 CA ASN A 23 -4.053 -16.027 -7.434 1.00 0.00 C ATOM 360 C ASN A 23 -4.584 -15.227 -8.606 1.00 0.00 C ATOM 361 O ASN A 23 -5.796 -15.019 -8.716 1.00 0.00 O ATOM 362 CB ASN A 23 -4.634 -17.444 -7.465 1.00 0.00 C ATOM 363 CG ASN A 23 -4.503 -18.057 -8.858 1.00 0.00 C ATOM 364 OD1 ASN A 23 -5.494 -18.184 -9.568 1.00 0.00 O ATOM 365 ND2 ASN A 23 -3.308 -18.418 -9.301 1.00 0.00 N ATOM 0 H ASN A 23 -5.333 -15.558 -5.846 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.969 -16.137 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.116 -18.070 -6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.684 -17.417 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.207 -18.805 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.488 -18.309 -8.704 1.00 0.00 H new ATOM 372 N ILE A 24 -3.682 -14.789 -9.476 1.00 0.00 N ATOM 373 CA ILE A 24 -4.003 -14.140 -10.730 1.00 0.00 C ATOM 374 C ILE A 24 -2.933 -14.665 -11.696 1.00 0.00 C ATOM 375 O ILE A 24 -1.848 -14.086 -11.743 1.00 0.00 O ATOM 376 CB ILE A 24 -4.021 -12.591 -10.613 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.640 -12.035 -9.313 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.720 -12.031 -11.852 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.729 -10.507 -9.221 1.00 0.00 C ATOM 0 H ILE A 24 -2.678 -14.881 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.011 -14.370 -11.076 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.984 -12.260 -10.560 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.644 -12.446 -9.205 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.054 -12.398 -8.469 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.746 -10.943 -11.794 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.175 -12.334 -12.746 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.739 -12.416 -11.900 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.179 -10.225 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.729 -10.079 -9.291 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.343 -10.128 -10.038 1.00 0.00 H new ATOM 391 N PRO A 25 -3.168 -15.789 -12.403 1.00 0.00 N ATOM 392 CA PRO A 25 -2.149 -16.409 -13.243 1.00 0.00 C ATOM 393 C PRO A 25 -1.694 -15.407 -14.307 1.00 0.00 C ATOM 394 O PRO A 25 -2.457 -14.515 -14.675 1.00 0.00 O ATOM 395 CB PRO A 25 -2.797 -17.676 -13.815 1.00 0.00 C ATOM 396 CG PRO A 25 -4.291 -17.365 -13.790 1.00 0.00 C ATOM 397 CD PRO A 25 -4.436 -16.487 -12.547 1.00 0.00 C ATOM 0 HA PRO A 25 -1.244 -16.687 -12.702 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.448 -17.882 -14.827 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.561 -18.553 -13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.610 -16.844 -14.692 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.891 -18.272 -13.716 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.259 -15.782 -12.661 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.652 -17.090 -11.665 1.00 0.00 H new ATOM 405 N LEU A 26 -0.466 -15.538 -14.816 1.00 0.00 N ATOM 406 CA LEU A 26 0.174 -14.518 -15.659 1.00 0.00 C ATOM 407 C LEU A 26 -0.696 -14.050 -16.840 1.00 0.00 C ATOM 408 O LEU A 26 -0.755 -12.857 -17.137 1.00 0.00 O ATOM 409 CB LEU A 26 1.542 -15.062 -16.114 1.00 0.00 C ATOM 410 CG LEU A 26 2.416 -14.088 -16.931 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.560 -12.721 -16.255 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.813 -14.700 -17.102 1.00 0.00 C ATOM 0 H LEU A 26 0.118 -16.359 -14.655 1.00 0.00 H new ATOM 0 HA LEU A 26 0.311 -13.615 -15.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.102 -15.368 -15.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.375 -15.958 -16.712 1.00 0.00 H new ATOM 0 HG LEU A 26 1.926 -13.934 -17.893 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.184 -12.074 -16.871 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.576 -12.269 -16.136 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.023 -12.846 -15.276 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.440 -14.020 -17.678 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.261 -14.864 -16.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.732 -15.652 -17.627 1.00 0.00 H new ATOM 424 N LYS A 27 -1.423 -14.968 -17.483 1.00 0.00 N ATOM 425 CA LYS A 27 -2.348 -14.651 -18.572 1.00 0.00 C ATOM 426 C LYS A 27 -3.494 -13.735 -18.130 1.00 0.00 C ATOM 427 O LYS A 27 -3.945 -12.911 -18.925 1.00 0.00 O ATOM 428 CB LYS A 27 -2.871 -15.946 -19.225 1.00 0.00 C ATOM 429 CG LYS A 27 -3.716 -16.837 -18.292 1.00 0.00 C ATOM 430 CD LYS A 27 -4.104 -18.180 -18.930 1.00 0.00 C ATOM 431 CE LYS A 27 -5.031 -18.003 -20.144 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.450 -19.304 -20.723 1.00 0.00 N ATOM 0 H LYS A 27 -1.385 -15.962 -17.259 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.789 -14.088 -19.320 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.471 -15.682 -20.096 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.021 -16.524 -19.587 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.158 -17.025 -17.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.622 -16.301 -18.009 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.201 -18.707 -19.239 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.599 -18.804 -18.186 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.914 -17.439 -19.845 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.520 -17.415 -20.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.073 -19.136 -21.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.610 -19.833 -21.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.961 -19.855 -20.004 1.00 0.00 H new ATOM 446 N GLU A 28 -3.969 -13.863 -16.888 1.00 0.00 N ATOM 447 CA GLU A 28 -4.985 -12.985 -16.324 1.00 0.00 C ATOM 448 C GLU A 28 -4.354 -11.707 -15.812 1.00 0.00 C ATOM 449 O GLU A 28 -4.911 -10.648 -16.064 1.00 0.00 O ATOM 450 CB GLU A 28 -5.746 -13.660 -15.166 1.00 0.00 C ATOM 451 CG GLU A 28 -6.997 -14.378 -15.679 1.00 0.00 C ATOM 452 CD GLU A 28 -7.605 -15.324 -14.629 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.631 -14.960 -13.431 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.087 -16.418 -15.004 1.00 0.00 O ATOM 0 H GLU A 28 -3.653 -14.588 -16.244 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.691 -12.761 -17.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.093 -14.373 -14.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.029 -12.911 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.742 -13.638 -15.972 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.744 -14.947 -16.573 1.00 0.00 H new ATOM 461 N VAL A 29 -3.219 -11.774 -15.111 1.00 0.00 N ATOM 462 CA VAL A 29 -2.676 -10.636 -14.358 1.00 0.00 C ATOM 463 C VAL A 29 -2.502 -9.405 -15.237 1.00 0.00 C ATOM 464 O VAL A 29 -2.804 -8.296 -14.809 1.00 0.00 O ATOM 465 CB VAL A 29 -1.401 -11.057 -13.590 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.078 -10.834 -14.335 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.302 -10.356 -12.229 1.00 0.00 C ATOM 0 H VAL A 29 -2.649 -12.618 -15.048 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.400 -10.332 -13.602 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.527 -12.133 -13.473 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.752 -11.162 -13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.082 -11.407 -15.262 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.037 -9.774 -14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.394 -10.677 -11.719 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.273 -9.276 -12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.169 -10.616 -11.622 1.00 0.00 H new ATOM 477 N LYS A 30 -2.114 -9.615 -16.493 1.00 0.00 N ATOM 478 CA LYS A 30 -1.902 -8.561 -17.477 1.00 0.00 C ATOM 479 C LYS A 30 -3.155 -7.718 -17.760 1.00 0.00 C ATOM 480 O LYS A 30 -3.031 -6.623 -18.302 1.00 0.00 O ATOM 481 CB LYS A 30 -1.333 -9.235 -18.743 1.00 0.00 C ATOM 482 CG LYS A 30 -0.601 -8.251 -19.673 1.00 0.00 C ATOM 483 CD LYS A 30 -0.179 -8.884 -21.010 1.00 0.00 C ATOM 484 CE LYS A 30 0.791 -10.067 -20.854 1.00 0.00 C ATOM 485 NZ LYS A 30 1.167 -10.654 -22.166 1.00 0.00 N ATOM 0 H LYS A 30 -1.934 -10.549 -16.862 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.195 -7.831 -17.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.645 -10.027 -18.448 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.147 -9.708 -19.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.249 -7.397 -19.871 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.284 -7.869 -19.164 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.070 -9.223 -21.539 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.289 -8.121 -21.632 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.690 -9.733 -20.335 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.330 -10.834 -20.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.822 -11.448 -22.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.313 -10.996 -22.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.630 -9.929 -22.751 1.00 0.00 H new ATOM 499 N GLU A 31 -4.345 -8.168 -17.365 1.00 0.00 N ATOM 500 CA GLU A 31 -5.570 -7.387 -17.418 1.00 0.00 C ATOM 501 C GLU A 31 -6.181 -7.289 -16.018 1.00 0.00 C ATOM 502 O GLU A 31 -6.533 -6.202 -15.566 1.00 0.00 O ATOM 503 CB GLU A 31 -6.511 -8.047 -18.438 1.00 0.00 C ATOM 504 CG GLU A 31 -7.843 -7.301 -18.552 1.00 0.00 C ATOM 505 CD GLU A 31 -8.725 -7.876 -19.674 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.508 -8.820 -19.420 1.00 0.00 O ATOM 507 OE2 GLU A 31 -8.663 -7.377 -20.822 1.00 0.00 O ATOM 0 H GLU A 31 -4.482 -9.107 -16.992 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.379 -6.364 -17.743 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.026 -8.075 -19.414 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.697 -9.080 -18.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.376 -7.362 -17.603 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.653 -6.245 -18.744 1.00 0.00 H new ATOM 514 N ARG A 32 -6.270 -8.409 -15.301 1.00 0.00 N ATOM 515 CA ARG A 32 -6.967 -8.510 -14.026 1.00 0.00 C ATOM 516 C ARG A 32 -6.292 -7.689 -12.930 1.00 0.00 C ATOM 517 O ARG A 32 -6.992 -7.237 -12.023 1.00 0.00 O ATOM 518 CB ARG A 32 -7.179 -9.988 -13.641 1.00 0.00 C ATOM 519 CG ARG A 32 -8.129 -10.123 -12.432 1.00 0.00 C ATOM 520 CD ARG A 32 -9.039 -11.364 -12.485 1.00 0.00 C ATOM 521 NE ARG A 32 -8.380 -12.620 -12.100 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.138 -13.080 -10.867 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.397 -12.355 -9.781 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.606 -14.288 -10.766 1.00 0.00 N ATOM 0 H ARG A 32 -5.849 -9.289 -15.600 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.956 -8.066 -14.142 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.590 -10.532 -14.491 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.218 -10.445 -13.404 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.535 -10.160 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.752 -9.231 -12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.893 -11.201 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.430 -11.469 -13.497 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.069 -13.215 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.792 -11.419 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.201 -12.735 -8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.398 -14.826 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.404 -14.681 -9.847 1.00 0.00 H new ATOM 538 N ILE A 33 -4.980 -7.424 -13.005 1.00 0.00 N ATOM 539 CA ILE A 33 -4.336 -6.554 -12.017 1.00 0.00 C ATOM 540 C ILE A 33 -4.991 -5.172 -12.032 1.00 0.00 C ATOM 541 O ILE A 33 -5.171 -4.586 -10.970 1.00 0.00 O ATOM 542 CB ILE A 33 -2.800 -6.477 -12.188 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.094 -5.987 -10.902 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.378 -5.573 -13.358 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.067 -7.051 -9.799 1.00 0.00 C ATOM 0 H ILE A 33 -4.357 -7.792 -13.724 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.491 -6.999 -11.034 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.487 -7.499 -12.404 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.072 -5.693 -11.143 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.602 -5.097 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.291 -5.556 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.798 -5.960 -14.286 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.746 -4.561 -13.187 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.560 -6.652 -8.921 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.088 -7.327 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.534 -7.932 -10.156 1.00 0.00 H new ATOM 557 N ALA A 34 -5.429 -4.686 -13.200 1.00 0.00 N ATOM 558 CA ALA A 34 -6.095 -3.390 -13.291 1.00 0.00 C ATOM 559 C ALA A 34 -7.400 -3.317 -12.482 1.00 0.00 C ATOM 560 O ALA A 34 -7.847 -2.215 -12.162 1.00 0.00 O ATOM 561 CB ALA A 34 -6.352 -3.035 -14.758 1.00 0.00 C ATOM 0 H ALA A 34 -5.332 -5.173 -14.091 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.421 -2.658 -12.846 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.849 -2.067 -14.816 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.403 -2.989 -15.293 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.987 -3.797 -15.211 1.00 0.00 H new ATOM 567 N THR A 35 -8.003 -4.460 -12.139 1.00 0.00 N ATOM 568 CA THR A 35 -9.201 -4.528 -11.307 1.00 0.00 C ATOM 569 C THR A 35 -8.822 -4.864 -9.856 1.00 0.00 C ATOM 570 O THR A 35 -9.438 -4.347 -8.922 1.00 0.00 O ATOM 571 CB THR A 35 -10.165 -5.564 -11.921 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.383 -5.282 -13.295 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.537 -5.585 -11.239 1.00 0.00 C ATOM 0 H THR A 35 -7.665 -5.375 -12.438 1.00 0.00 H new ATOM 0 HA THR A 35 -9.707 -3.563 -11.280 1.00 0.00 H new ATOM 0 HB THR A 35 -9.685 -6.533 -11.780 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.995 -5.948 -13.673 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.169 -6.334 -11.716 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.415 -5.832 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.004 -4.604 -11.331 1.00 0.00 H new ATOM 581 N ALA A 36 -7.798 -5.700 -9.654 1.00 0.00 N ATOM 582 CA ALA A 36 -7.398 -6.172 -8.330 1.00 0.00 C ATOM 583 C ALA A 36 -6.587 -5.120 -7.561 1.00 0.00 C ATOM 584 O ALA A 36 -6.685 -5.038 -6.337 1.00 0.00 O ATOM 585 CB ALA A 36 -6.583 -7.463 -8.477 1.00 0.00 C ATOM 0 H ALA A 36 -7.222 -6.069 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.303 -6.364 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.283 -7.818 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.191 -8.223 -8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.695 -7.266 -9.078 1.00 0.00 H new ATOM 591 N VAL A 37 -5.792 -4.326 -8.278 1.00 0.00 N ATOM 592 CA VAL A 37 -4.833 -3.358 -7.760 1.00 0.00 C ATOM 593 C VAL A 37 -4.887 -2.135 -8.695 1.00 0.00 C ATOM 594 O VAL A 37 -3.986 -1.934 -9.511 1.00 0.00 O ATOM 595 CB VAL A 37 -3.419 -3.987 -7.664 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.456 -3.049 -6.926 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.398 -5.363 -6.976 1.00 0.00 C ATOM 0 H VAL A 37 -5.803 -4.345 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.080 -3.047 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.097 -4.133 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.470 -3.510 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.385 -2.104 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.828 -2.865 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.375 -5.739 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.779 -5.267 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.024 -6.059 -7.534 1.00 0.00 H new ATOM 607 N PRO A 38 -5.968 -1.335 -8.659 1.00 0.00 N ATOM 608 CA PRO A 38 -6.109 -0.182 -9.541 1.00 0.00 C ATOM 609 C PRO A 38 -5.083 0.918 -9.221 1.00 0.00 C ATOM 610 O PRO A 38 -4.692 1.666 -10.119 1.00 0.00 O ATOM 611 CB PRO A 38 -7.553 0.298 -9.355 1.00 0.00 C ATOM 612 CG PRO A 38 -7.927 -0.189 -7.955 1.00 0.00 C ATOM 613 CD PRO A 38 -7.141 -1.491 -7.816 1.00 0.00 C ATOM 0 HA PRO A 38 -5.911 -0.446 -10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.626 1.383 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.214 -0.122 -10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.647 0.534 -7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.000 -0.354 -7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.857 -1.668 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.740 -2.345 -8.132 1.00 0.00 H new ATOM 621 N ASP A 39 -4.634 1.027 -7.963 1.00 0.00 N ATOM 622 CA ASP A 39 -3.562 1.940 -7.574 1.00 0.00 C ATOM 623 C ASP A 39 -2.216 1.328 -7.959 1.00 0.00 C ATOM 624 O ASP A 39 -1.721 0.419 -7.291 1.00 0.00 O ATOM 625 CB ASP A 39 -3.598 2.245 -6.070 1.00 0.00 C ATOM 626 CG ASP A 39 -2.405 3.117 -5.627 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.726 3.727 -6.485 1.00 0.00 O ATOM 628 OD2 ASP A 39 -2.167 3.222 -4.403 1.00 0.00 O ATOM 0 H ASP A 39 -5.009 0.480 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.703 2.884 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.530 2.755 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.591 1.310 -5.510 1.00 0.00 H new ATOM 633 N LYS A 40 -1.607 1.833 -9.033 1.00 0.00 N ATOM 634 CA LYS A 40 -0.324 1.344 -9.535 1.00 0.00 C ATOM 635 C LYS A 40 0.823 1.461 -8.522 1.00 0.00 C ATOM 636 O LYS A 40 1.834 0.778 -8.703 1.00 0.00 O ATOM 637 CB LYS A 40 0.009 2.055 -10.857 1.00 0.00 C ATOM 638 CG LYS A 40 -0.962 1.618 -11.969 1.00 0.00 C ATOM 639 CD LYS A 40 -0.471 1.998 -13.370 1.00 0.00 C ATOM 640 CE LYS A 40 -1.517 1.576 -14.412 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.065 1.825 -15.803 1.00 0.00 N ATOM 0 H LYS A 40 -1.995 2.600 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.430 0.274 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.049 3.135 -10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.033 1.826 -11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.102 0.538 -11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.936 2.075 -11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.298 3.073 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.482 1.511 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.740 0.516 -14.290 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.445 2.119 -14.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.857 1.668 -16.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.733 2.807 -15.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.288 1.175 -16.037 1.00 0.00 H new ATOM 655 N ASN A 41 0.687 2.292 -7.480 1.00 0.00 N ATOM 656 CA ASN A 41 1.717 2.482 -6.460 1.00 0.00 C ATOM 657 C ASN A 41 1.649 1.427 -5.349 1.00 0.00 C ATOM 658 O ASN A 41 2.575 1.343 -4.542 1.00 0.00 O ATOM 659 CB ASN A 41 1.583 3.879 -5.838 1.00 0.00 C ATOM 660 CG ASN A 41 2.755 4.205 -4.915 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.902 4.277 -5.348 1.00 0.00 O ATOM 662 ND2 ASN A 41 2.496 4.430 -3.636 1.00 0.00 N ATOM 0 H ASN A 41 -0.150 2.854 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 41 2.681 2.376 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.526 4.625 -6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.651 3.939 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.254 4.667 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.538 4.367 -3.291 1.00 0.00 H new ATOM 669 N ASP A 42 0.574 0.635 -5.252 1.00 0.00 N ATOM 670 CA ASP A 42 0.529 -0.472 -4.290 1.00 0.00 C ATOM 671 C ASP A 42 1.635 -1.460 -4.662 1.00 0.00 C ATOM 672 O ASP A 42 1.815 -1.737 -5.850 1.00 0.00 O ATOM 673 CB ASP A 42 -0.837 -1.178 -4.291 1.00 0.00 C ATOM 674 CG ASP A 42 -1.502 -1.111 -2.912 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.937 -1.685 -1.960 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.558 -0.452 -2.769 1.00 0.00 O ATOM 0 H ASP A 42 -0.267 0.738 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 42 0.679 -0.080 -3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.487 -0.715 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.710 -2.220 -4.585 1.00 0.00 H new ATOM 681 N THR A 43 2.387 -1.986 -3.689 1.00 0.00 N ATOM 682 CA THR A 43 3.447 -2.937 -4.003 1.00 0.00 C ATOM 683 C THR A 43 2.819 -4.220 -4.557 1.00 0.00 C ATOM 684 O THR A 43 1.875 -4.741 -3.959 1.00 0.00 O ATOM 685 CB THR A 43 4.352 -3.199 -2.790 1.00 0.00 C ATOM 686 OG1 THR A 43 4.759 -1.977 -2.212 1.00 0.00 O ATOM 687 CG2 THR A 43 5.595 -3.997 -3.173 1.00 0.00 C ATOM 0 H THR A 43 2.281 -1.772 -2.697 1.00 0.00 H new ATOM 0 HA THR A 43 4.098 -2.514 -4.768 1.00 0.00 H new ATOM 0 HB THR A 43 3.770 -3.780 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.072 -1.667 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.209 -4.161 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.296 -4.958 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.169 -3.442 -3.915 1.00 0.00 H new ATOM 695 N VAL A 44 3.356 -4.750 -5.659 1.00 0.00 N ATOM 696 CA VAL A 44 2.833 -5.946 -6.316 1.00 0.00 C ATOM 697 C VAL A 44 3.930 -7.006 -6.269 1.00 0.00 C ATOM 698 O VAL A 44 4.798 -7.050 -7.143 1.00 0.00 O ATOM 699 CB VAL A 44 2.330 -5.643 -7.748 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.459 -6.805 -8.238 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.488 -4.363 -7.838 1.00 0.00 C ATOM 0 H VAL A 44 4.174 -4.355 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 44 1.952 -6.321 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 44 3.220 -5.508 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.104 -6.593 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.047 -7.723 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.606 -6.927 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.168 -4.210 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.612 -4.458 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.085 -3.511 -7.513 1.00 0.00 H new ATOM 711 N LYS A 45 3.931 -7.818 -5.207 1.00 0.00 N ATOM 712 CA LYS A 45 4.935 -8.855 -4.980 1.00 0.00 C ATOM 713 C LYS A 45 4.561 -10.078 -5.810 1.00 0.00 C ATOM 714 O LYS A 45 3.828 -10.948 -5.336 1.00 0.00 O ATOM 715 CB LYS A 45 5.090 -9.151 -3.474 1.00 0.00 C ATOM 716 CG LYS A 45 5.426 -7.859 -2.717 1.00 0.00 C ATOM 717 CD LYS A 45 5.976 -8.082 -1.305 1.00 0.00 C ATOM 718 CE LYS A 45 6.694 -6.806 -0.843 1.00 0.00 C ATOM 719 NZ LYS A 45 7.211 -6.902 0.541 1.00 0.00 N ATOM 0 H LYS A 45 3.224 -7.771 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 45 5.919 -8.519 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.168 -9.582 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.878 -9.888 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.157 -7.293 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.527 -7.245 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.165 -8.327 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.666 -8.926 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.522 -6.596 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.005 -5.964 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.800 -6.070 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.414 -6.938 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.783 -7.765 0.639 1.00 0.00 H new ATOM 733 N VAL A 46 4.970 -10.106 -7.077 1.00 0.00 N ATOM 734 CA VAL A 46 4.662 -11.217 -7.970 1.00 0.00 C ATOM 735 C VAL A 46 5.527 -12.424 -7.584 1.00 0.00 C ATOM 736 O VAL A 46 6.724 -12.261 -7.322 1.00 0.00 O ATOM 737 CB VAL A 46 4.817 -10.809 -9.453 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.706 -9.831 -9.864 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.170 -10.170 -9.806 1.00 0.00 C ATOM 0 H VAL A 46 5.520 -9.364 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 46 3.616 -11.503 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 46 4.750 -11.748 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.833 -9.556 -10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.734 -10.306 -9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.762 -8.936 -9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.187 -9.917 -10.866 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.310 -9.265 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.973 -10.874 -9.588 1.00 0.00 H new ATOM 749 N TYR A 47 4.950 -13.632 -7.576 1.00 0.00 N ATOM 750 CA TYR A 47 5.674 -14.875 -7.311 1.00 0.00 C ATOM 751 C TYR A 47 5.101 -16.044 -8.117 1.00 0.00 C ATOM 752 O TYR A 47 3.974 -15.977 -8.613 1.00 0.00 O ATOM 753 CB TYR A 47 5.693 -15.190 -5.812 1.00 0.00 C ATOM 754 CG TYR A 47 4.398 -15.668 -5.192 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.460 -14.735 -4.713 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.168 -17.048 -5.031 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.306 -15.177 -4.044 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.016 -17.495 -4.365 1.00 0.00 C ATOM 759 CZ TYR A 47 2.094 -16.561 -3.851 1.00 0.00 C ATOM 760 OH TYR A 47 1.007 -17.012 -3.167 1.00 0.00 O ATOM 0 H TYR A 47 3.956 -13.772 -7.756 1.00 0.00 H new ATOM 0 HA TYR A 47 6.704 -14.732 -7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.454 -15.951 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.011 -14.292 -5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.627 -13.678 -4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.878 -17.763 -5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.584 -14.462 -3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.836 -18.553 -4.247 1.00 0.00 H new ATOM 0 HH TYR A 47 0.198 -16.588 -3.522 1.00 0.00 H new ATOM 770 N CYS A 48 5.888 -17.114 -8.262 1.00 0.00 N ATOM 771 CA CYS A 48 5.534 -18.335 -8.964 1.00 0.00 C ATOM 772 C CYS A 48 6.295 -19.511 -8.336 1.00 0.00 C ATOM 773 O CYS A 48 6.691 -19.426 -7.174 1.00 0.00 O ATOM 774 CB CYS A 48 5.769 -18.161 -10.477 1.00 0.00 C ATOM 775 SG CYS A 48 7.535 -17.983 -10.858 1.00 0.00 S ATOM 0 H CYS A 48 6.830 -17.147 -7.873 1.00 0.00 H new ATOM 0 HA CYS A 48 4.472 -18.558 -8.858 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.365 -19.021 -11.011 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.229 -17.283 -10.832 1.00 0.00 H new ATOM 0 HG CYS A 48 8.190 -17.722 -9.766 1.00 0.00 H new ATOM 781 N ASN A 49 6.484 -20.617 -9.066 1.00 0.00 N ATOM 782 CA ASN A 49 7.129 -21.818 -8.527 1.00 0.00 C ATOM 783 C ASN A 49 8.616 -21.576 -8.245 1.00 0.00 C ATOM 784 O ASN A 49 9.073 -21.849 -7.135 1.00 0.00 O ATOM 785 CB ASN A 49 6.947 -22.998 -9.499 1.00 0.00 C ATOM 786 CG ASN A 49 7.541 -24.290 -8.936 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.753 -24.479 -8.912 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.711 -25.214 -8.484 1.00 0.00 N ATOM 0 H ASN A 49 6.196 -20.704 -10.041 1.00 0.00 H new ATOM 0 HA ASN A 49 6.650 -22.063 -7.579 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.886 -23.143 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.423 -22.763 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.077 -26.091 -8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.704 -25.051 -8.507 1.00 0.00 H new ATOM 795 N ALA A 50 9.352 -21.022 -9.220 1.00 0.00 N ATOM 796 CA ALA A 50 10.819 -20.956 -9.187 1.00 0.00 C ATOM 797 C ALA A 50 11.396 -19.580 -9.559 1.00 0.00 C ATOM 798 O ALA A 50 12.614 -19.406 -9.516 1.00 0.00 O ATOM 799 CB ALA A 50 11.378 -22.045 -10.114 1.00 0.00 C ATOM 0 H ALA A 50 8.944 -20.606 -10.057 1.00 0.00 H new ATOM 0 HA ALA A 50 11.127 -21.123 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.467 -22.010 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.042 -23.023 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.022 -21.876 -11.130 1.00 0.00 H new ATOM 805 N GLY A 51 10.553 -18.606 -9.918 1.00 0.00 N ATOM 806 CA GLY A 51 10.949 -17.213 -10.129 1.00 0.00 C ATOM 807 C GLY A 51 10.877 -16.767 -11.590 1.00 0.00 C ATOM 808 O GLY A 51 10.796 -15.569 -11.851 1.00 0.00 O ATOM 0 H GLY A 51 9.558 -18.769 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.307 -16.567 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.968 -17.075 -9.766 1.00 0.00 H new ATOM 812 N ARG A 52 10.901 -17.690 -12.562 1.00 0.00 N ATOM 813 CA ARG A 52 10.950 -17.307 -13.979 1.00 0.00 C ATOM 814 C ARG A 52 9.663 -16.619 -14.436 1.00 0.00 C ATOM 815 O ARG A 52 9.727 -15.571 -15.081 1.00 0.00 O ATOM 816 CB ARG A 52 11.349 -18.502 -14.872 1.00 0.00 C ATOM 817 CG ARG A 52 10.374 -19.697 -14.879 1.00 0.00 C ATOM 818 CD ARG A 52 10.923 -20.883 -15.685 1.00 0.00 C ATOM 819 NE ARG A 52 11.023 -20.586 -17.127 1.00 0.00 N ATOM 820 CZ ARG A 52 11.636 -21.353 -18.039 1.00 0.00 C ATOM 821 NH1 ARG A 52 12.225 -22.493 -17.683 1.00 0.00 N ATOM 822 NH2 ARG A 52 11.658 -20.973 -19.313 1.00 0.00 N ATOM 0 H ARG A 52 10.887 -18.696 -12.395 1.00 0.00 H new ATOM 0 HA ARG A 52 11.737 -16.561 -14.091 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.460 -18.144 -15.895 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.328 -18.859 -14.551 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.181 -20.014 -13.854 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.419 -19.383 -15.301 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.908 -21.153 -15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.276 -21.748 -15.539 1.00 0.00 H new ATOM 0 HE ARG A 52 10.589 -19.724 -17.457 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.213 -22.790 -16.707 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.689 -23.069 -18.386 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.209 -20.101 -19.593 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.123 -21.554 -20.010 1.00 0.00 H new ATOM 836 N GLN A 53 8.495 -17.165 -14.081 1.00 0.00 N ATOM 837 CA GLN A 53 7.219 -16.628 -14.551 1.00 0.00 C ATOM 838 C GLN A 53 6.906 -15.316 -13.830 1.00 0.00 C ATOM 839 O GLN A 53 6.377 -14.396 -14.448 1.00 0.00 O ATOM 840 CB GLN A 53 6.113 -17.689 -14.390 1.00 0.00 C ATOM 841 CG GLN A 53 4.854 -17.407 -15.220 1.00 0.00 C ATOM 842 CD GLN A 53 4.019 -18.671 -15.455 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.430 -19.572 -16.182 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.834 -18.783 -14.875 1.00 0.00 N ATOM 0 H GLN A 53 8.410 -17.978 -13.470 1.00 0.00 H new ATOM 0 HA GLN A 53 7.278 -16.394 -15.614 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.513 -18.662 -14.674 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.836 -17.753 -13.338 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.245 -16.661 -14.710 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.142 -16.981 -16.181 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.489 -18.037 -14.271 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.266 -19.615 -15.032 1.00 0.00 H new ATOM 853 N SER A 54 7.283 -15.178 -12.555 1.00 0.00 N ATOM 854 CA SER A 54 7.163 -13.919 -11.835 1.00 0.00 C ATOM 855 C SER A 54 8.191 -12.897 -12.321 1.00 0.00 C ATOM 856 O SER A 54 7.931 -11.698 -12.239 1.00 0.00 O ATOM 857 CB SER A 54 7.263 -14.173 -10.331 1.00 0.00 C ATOM 858 OG SER A 54 8.359 -15.018 -10.025 1.00 0.00 O ATOM 0 H SER A 54 7.678 -15.937 -12.000 1.00 0.00 H new ATOM 0 HA SER A 54 6.184 -13.486 -12.039 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.374 -13.224 -9.806 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.339 -14.628 -9.974 1.00 0.00 H new ATOM 0 HG SER A 54 8.144 -15.939 -10.283 1.00 0.00 H new ATOM 864 N GLY A 55 9.347 -13.331 -12.827 1.00 0.00 N ATOM 865 CA GLY A 55 10.337 -12.452 -13.434 1.00 0.00 C ATOM 866 C GLY A 55 9.746 -11.804 -14.677 1.00 0.00 C ATOM 867 O GLY A 55 9.748 -10.580 -14.804 1.00 0.00 O ATOM 0 H GLY A 55 9.621 -14.314 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.644 -11.686 -12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.230 -13.019 -13.696 1.00 0.00 H new ATOM 871 N GLN A 56 9.152 -12.618 -15.554 1.00 0.00 N ATOM 872 CA GLN A 56 8.405 -12.108 -16.694 1.00 0.00 C ATOM 873 C GLN A 56 7.246 -11.230 -16.226 1.00 0.00 C ATOM 874 O GLN A 56 7.073 -10.146 -16.775 1.00 0.00 O ATOM 875 CB GLN A 56 7.934 -13.268 -17.585 1.00 0.00 C ATOM 876 CG GLN A 56 9.091 -13.928 -18.357 1.00 0.00 C ATOM 877 CD GLN A 56 9.691 -12.992 -19.413 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.218 -12.925 -20.545 1.00 0.00 O ATOM 879 NE2 GLN A 56 10.727 -12.237 -19.075 1.00 0.00 N ATOM 0 H GLN A 56 9.178 -13.636 -15.491 1.00 0.00 H new ATOM 0 HA GLN A 56 9.059 -11.479 -17.298 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.439 -14.018 -16.968 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.193 -12.899 -18.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.869 -14.228 -17.655 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.731 -14.836 -18.841 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.116 -12.296 -18.134 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.135 -11.597 -19.756 1.00 0.00 H new ATOM 888 N ALA A 57 6.502 -11.626 -15.187 1.00 0.00 N ATOM 889 CA ALA A 57 5.419 -10.808 -14.652 1.00 0.00 C ATOM 890 C ALA A 57 5.910 -9.437 -14.188 1.00 0.00 C ATOM 891 O ALA A 57 5.228 -8.449 -14.449 1.00 0.00 O ATOM 892 CB ALA A 57 4.702 -11.522 -13.508 1.00 0.00 C ATOM 0 H ALA A 57 6.635 -12.513 -14.701 1.00 0.00 H new ATOM 0 HA ALA A 57 4.713 -10.652 -15.467 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.900 -10.888 -13.129 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.282 -12.460 -13.871 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.411 -11.728 -12.706 1.00 0.00 H new ATOM 898 N LYS A 58 7.082 -9.348 -13.541 1.00 0.00 N ATOM 899 CA LYS A 58 7.623 -8.059 -13.120 1.00 0.00 C ATOM 900 C LYS A 58 7.774 -7.156 -14.346 1.00 0.00 C ATOM 901 O LYS A 58 7.368 -5.995 -14.311 1.00 0.00 O ATOM 902 CB LYS A 58 8.945 -8.192 -12.336 1.00 0.00 C ATOM 903 CG LYS A 58 9.574 -6.797 -12.148 1.00 0.00 C ATOM 904 CD LYS A 58 10.707 -6.714 -11.120 1.00 0.00 C ATOM 905 CE LYS A 58 11.552 -5.448 -11.342 1.00 0.00 C ATOM 906 NZ LYS A 58 12.464 -5.559 -12.511 1.00 0.00 N ATOM 0 H LYS A 58 7.665 -10.150 -13.302 1.00 0.00 H new ATOM 0 HA LYS A 58 6.920 -7.604 -12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.760 -8.653 -11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.634 -8.844 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.956 -6.458 -13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.789 -6.101 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.291 -6.707 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.340 -7.598 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.889 -4.595 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.140 -5.248 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.983 -4.666 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.140 -6.333 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.908 -5.755 -13.368 1.00 0.00 H new ATOM 920 N GLU A 59 8.356 -7.672 -15.428 1.00 0.00 N ATOM 921 CA GLU A 59 8.683 -6.861 -16.594 1.00 0.00 C ATOM 922 C GLU A 59 7.409 -6.516 -17.363 1.00 0.00 C ATOM 923 O GLU A 59 7.236 -5.379 -17.795 1.00 0.00 O ATOM 924 CB GLU A 59 9.705 -7.589 -17.481 1.00 0.00 C ATOM 925 CG GLU A 59 11.059 -7.815 -16.785 1.00 0.00 C ATOM 926 CD GLU A 59 11.729 -6.507 -16.325 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.288 -5.777 -17.176 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.721 -6.213 -15.108 1.00 0.00 O ATOM 0 H GLU A 59 8.611 -8.655 -15.518 1.00 0.00 H new ATOM 0 HA GLU A 59 9.140 -5.927 -16.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.294 -8.552 -17.783 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.864 -7.011 -18.391 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.913 -8.464 -15.922 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.729 -8.338 -17.468 1.00 0.00 H new ATOM 935 N ILE A 60 6.477 -7.462 -17.467 1.00 0.00 N ATOM 936 CA ILE A 60 5.167 -7.264 -18.067 1.00 0.00 C ATOM 937 C ILE A 60 4.429 -6.146 -17.324 1.00 0.00 C ATOM 938 O ILE A 60 3.896 -5.235 -17.958 1.00 0.00 O ATOM 939 CB ILE A 60 4.435 -8.630 -18.078 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.006 -9.494 -19.230 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.911 -8.497 -18.200 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.633 -10.980 -19.154 1.00 0.00 C ATOM 0 H ILE A 60 6.620 -8.412 -17.125 1.00 0.00 H new ATOM 0 HA ILE A 60 5.229 -6.929 -19.103 1.00 0.00 H new ATOM 0 HB ILE A 60 4.614 -9.113 -17.117 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.652 -9.091 -20.179 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.092 -9.404 -19.231 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.458 -9.489 -18.202 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.527 -7.924 -17.356 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.664 -7.983 -19.129 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.074 -11.510 -19.998 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.011 -11.403 -18.223 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.549 -11.085 -19.186 1.00 0.00 H new ATOM 954 N LEU A 61 4.421 -6.161 -15.989 1.00 0.00 N ATOM 955 CA LEU A 61 3.740 -5.126 -15.222 1.00 0.00 C ATOM 956 C LEU A 61 4.525 -3.808 -15.231 1.00 0.00 C ATOM 957 O LEU A 61 3.919 -2.744 -15.105 1.00 0.00 O ATOM 958 CB LEU A 61 3.425 -5.615 -13.801 1.00 0.00 C ATOM 959 CG LEU A 61 2.385 -6.756 -13.733 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.003 -7.006 -12.269 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.117 -6.480 -14.554 1.00 0.00 C ATOM 0 H LEU A 61 4.877 -6.876 -15.423 1.00 0.00 H new ATOM 0 HA LEU A 61 2.786 -4.917 -15.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.349 -5.954 -13.334 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.061 -4.773 -13.213 1.00 0.00 H new ATOM 0 HG LEU A 61 2.854 -7.637 -14.172 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.269 -7.810 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.892 -7.288 -11.704 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.576 -6.097 -11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.432 -7.323 -14.460 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.633 -5.576 -14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.384 -6.345 -15.602 1.00 0.00 H new ATOM 973 N SER A 62 5.843 -3.842 -15.450 1.00 0.00 N ATOM 974 CA SER A 62 6.627 -2.636 -15.693 1.00 0.00 C ATOM 975 C SER A 62 6.203 -1.991 -17.020 1.00 0.00 C ATOM 976 O SER A 62 6.049 -0.772 -17.079 1.00 0.00 O ATOM 977 CB SER A 62 8.129 -2.948 -15.693 1.00 0.00 C ATOM 978 OG SER A 62 8.528 -3.575 -14.488 1.00 0.00 O ATOM 0 H SER A 62 6.390 -4.703 -15.463 1.00 0.00 H new ATOM 0 HA SER A 62 6.435 -1.930 -14.885 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.367 -3.595 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.693 -2.025 -15.829 1.00 0.00 H new ATOM 0 HG SER A 62 8.323 -4.532 -14.534 1.00 0.00 H new ATOM 984 N GLU A 63 5.938 -2.782 -18.067 1.00 0.00 N ATOM 985 CA GLU A 63 5.405 -2.281 -19.332 1.00 0.00 C ATOM 986 C GLU A 63 3.967 -1.767 -19.158 1.00 0.00 C ATOM 987 O GLU A 63 3.581 -0.800 -19.816 1.00 0.00 O ATOM 988 CB GLU A 63 5.479 -3.364 -20.425 1.00 0.00 C ATOM 989 CG GLU A 63 6.912 -3.677 -20.886 1.00 0.00 C ATOM 990 CD GLU A 63 7.561 -2.502 -21.641 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.291 -2.326 -22.851 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.366 -1.753 -21.042 1.00 0.00 O ATOM 0 H GLU A 63 6.089 -3.791 -18.057 1.00 0.00 H new ATOM 0 HA GLU A 63 6.022 -1.441 -19.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.019 -4.278 -20.050 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.892 -3.041 -21.285 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.522 -3.928 -20.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.899 -4.556 -21.531 1.00 0.00 H new ATOM 999 N MET A 64 3.192 -2.350 -18.232 1.00 0.00 N ATOM 1000 CA MET A 64 1.887 -1.819 -17.812 1.00 0.00 C ATOM 1001 C MET A 64 2.027 -0.526 -16.987 1.00 0.00 C ATOM 1002 O MET A 64 1.018 0.093 -16.641 1.00 0.00 O ATOM 1003 CB MET A 64 1.100 -2.867 -17.006 1.00 0.00 C ATOM 1004 CG MET A 64 0.685 -4.093 -17.830 1.00 0.00 C ATOM 1005 SD MET A 64 -0.707 -3.824 -18.962 1.00 0.00 S ATOM 1006 CE MET A 64 -2.046 -3.626 -17.750 1.00 0.00 C ATOM 0 H MET A 64 3.455 -3.210 -17.750 1.00 0.00 H new ATOM 0 HA MET A 64 1.337 -1.580 -18.723 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.708 -3.195 -16.163 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.207 -2.399 -16.592 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.545 -4.430 -18.409 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.426 -4.901 -17.146 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.008 -3.753 -18.247 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.941 -4.376 -16.966 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.994 -2.630 -17.309 1.00 0.00 H new ATOM 1016 N GLY A 65 3.249 -0.103 -16.654 1.00 0.00 N ATOM 1017 CA GLY A 65 3.519 1.141 -15.953 1.00 0.00 C ATOM 1018 C GLY A 65 3.216 1.063 -14.458 1.00 0.00 C ATOM 1019 O GLY A 65 3.040 2.112 -13.839 1.00 0.00 O ATOM 0 H GLY A 65 4.093 -0.633 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.566 1.410 -16.092 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.923 1.938 -16.397 1.00 0.00 H new ATOM 1023 N TYR A 66 3.120 -0.136 -13.866 1.00 0.00 N ATOM 1024 CA TYR A 66 2.995 -0.258 -12.416 1.00 0.00 C ATOM 1025 C TYR A 66 4.284 0.261 -11.785 1.00 0.00 C ATOM 1026 O TYR A 66 5.382 -0.165 -12.150 1.00 0.00 O ATOM 1027 CB TYR A 66 2.652 -1.692 -11.988 1.00 0.00 C ATOM 1028 CG TYR A 66 1.159 -1.961 -11.996 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.450 -1.995 -13.213 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.466 -2.102 -10.778 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.951 -2.122 -13.212 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.932 -2.246 -10.771 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.649 -2.220 -11.987 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.008 -2.257 -11.987 1.00 0.00 O ATOM 0 H TYR A 66 3.127 -1.024 -14.368 1.00 0.00 H new ATOM 0 HA TYR A 66 2.160 0.345 -12.061 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.148 -2.395 -12.657 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.045 -1.873 -10.987 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.984 -1.923 -14.149 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.011 -2.099 -9.846 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.493 -2.145 -14.146 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.457 -2.376 -9.836 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.334 -2.310 -11.064 1.00 0.00 H new ATOM 1044 N THR A 67 4.151 1.201 -10.852 1.00 0.00 N ATOM 1045 CA THR A 67 5.264 1.972 -10.318 1.00 0.00 C ATOM 1046 C THR A 67 5.933 1.282 -9.124 1.00 0.00 C ATOM 1047 O THR A 67 6.987 1.738 -8.675 1.00 0.00 O ATOM 1048 CB THR A 67 4.746 3.383 -9.975 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.517 3.313 -9.272 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.479 4.186 -11.253 1.00 0.00 C ATOM 0 H THR A 67 3.251 1.450 -10.441 1.00 0.00 H new ATOM 0 HA THR A 67 6.050 2.049 -11.069 1.00 0.00 H new ATOM 0 HB THR A 67 5.513 3.862 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.207 4.219 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.114 5.179 -10.989 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.403 4.279 -11.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.730 3.672 -11.856 1.00 0.00 H new ATOM 1058 N HIS A 68 5.360 0.181 -8.617 1.00 0.00 N ATOM 1059 CA HIS A 68 5.834 -0.483 -7.407 1.00 0.00 C ATOM 1060 C HIS A 68 5.755 -2.013 -7.534 1.00 0.00 C ATOM 1061 O HIS A 68 5.426 -2.726 -6.586 1.00 0.00 O ATOM 1062 CB HIS A 68 5.107 0.114 -6.183 1.00 0.00 C ATOM 1063 CG HIS A 68 6.049 0.492 -5.067 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.169 -0.105 -3.832 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.941 1.532 -5.095 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.111 0.553 -3.138 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.620 1.564 -3.869 1.00 0.00 N ATOM 0 H HIS A 68 4.551 -0.272 -9.042 1.00 0.00 H new ATOM 0 HA HIS A 68 6.896 -0.290 -7.258 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.548 0.996 -6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.381 -0.609 -5.810 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.634 -0.908 -3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.095 2.211 -5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.418 0.306 -2.133 1.00 0.00 H new ATOM 1075 N VAL A 69 6.035 -2.544 -8.727 1.00 0.00 N ATOM 1076 CA VAL A 69 6.232 -3.976 -8.905 1.00 0.00 C ATOM 1077 C VAL A 69 7.388 -4.433 -8.003 1.00 0.00 C ATOM 1078 O VAL A 69 8.325 -3.666 -7.750 1.00 0.00 O ATOM 1079 CB VAL A 69 6.512 -4.290 -10.390 1.00 0.00 C ATOM 1080 CG1 VAL A 69 5.352 -3.850 -11.290 1.00 0.00 C ATOM 1081 CG2 VAL A 69 7.814 -3.671 -10.924 1.00 0.00 C ATOM 0 H VAL A 69 6.130 -1.998 -9.583 1.00 0.00 H new ATOM 0 HA VAL A 69 5.331 -4.520 -8.620 1.00 0.00 H new ATOM 0 HB VAL A 69 6.623 -5.374 -10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.586 -4.088 -12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.443 -4.374 -10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.201 -2.775 -11.189 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.940 -3.937 -11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.767 -2.586 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.659 -4.050 -10.350 1.00 0.00 H new ATOM 1091 N GLU A 70 7.370 -5.688 -7.561 1.00 0.00 N ATOM 1092 CA GLU A 70 8.500 -6.297 -6.884 1.00 0.00 C ATOM 1093 C GLU A 70 8.512 -7.772 -7.268 1.00 0.00 C ATOM 1094 O GLU A 70 7.503 -8.462 -7.118 1.00 0.00 O ATOM 1095 CB GLU A 70 8.370 -6.092 -5.366 1.00 0.00 C ATOM 1096 CG GLU A 70 9.687 -6.447 -4.670 1.00 0.00 C ATOM 1097 CD GLU A 70 9.604 -6.297 -3.143 1.00 0.00 C ATOM 1098 OE1 GLU A 70 9.638 -5.153 -2.636 1.00 0.00 O ATOM 1099 OE2 GLU A 70 9.537 -7.327 -2.436 1.00 0.00 O ATOM 0 H GLU A 70 6.567 -6.308 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 70 9.444 -5.839 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.105 -5.056 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.565 -6.714 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.960 -7.473 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.481 -5.805 -5.052 1.00 0.00 H new ATOM 1106 N ASN A 71 9.637 -8.264 -7.790 1.00 0.00 N ATOM 1107 CA ASN A 71 9.779 -9.688 -8.048 1.00 0.00 C ATOM 1108 C ASN A 71 10.130 -10.370 -6.732 1.00 0.00 C ATOM 1109 O ASN A 71 11.246 -10.197 -6.236 1.00 0.00 O ATOM 1110 CB ASN A 71 10.853 -9.974 -9.102 1.00 0.00 C ATOM 1111 CG ASN A 71 10.883 -11.475 -9.333 1.00 0.00 C ATOM 1112 OD1 ASN A 71 9.858 -11.987 -9.989 1.00 0.00 O flip ATOM 1113 ND2 ASN A 71 11.775 -12.184 -8.880 1.00 0.00 N flip ATOM 0 H ASN A 71 10.451 -7.701 -8.038 1.00 0.00 H new ATOM 0 HA ASN A 71 8.841 -10.076 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.628 -9.448 -10.030 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.826 -9.619 -8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.556 -11.762 -8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.736 -13.195 -9.006 1.00 0.00 H new ATOM 1120 N ALA A 72 9.183 -11.103 -6.142 1.00 0.00 N ATOM 1121 CA ALA A 72 9.433 -11.769 -4.873 1.00 0.00 C ATOM 1122 C ALA A 72 10.331 -12.995 -5.064 1.00 0.00 C ATOM 1123 O ALA A 72 11.218 -13.226 -4.241 1.00 0.00 O ATOM 1124 CB ALA A 72 8.112 -12.153 -4.211 1.00 0.00 C ATOM 0 H ALA A 72 8.247 -11.246 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 72 9.959 -11.076 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.312 -12.651 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.520 -11.255 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.560 -12.828 -4.865 1.00 0.00 H new ATOM 1130 N GLY A 73 10.122 -13.762 -6.141 1.00 0.00 N ATOM 1131 CA GLY A 73 10.924 -14.933 -6.472 1.00 0.00 C ATOM 1132 C GLY A 73 10.033 -16.141 -6.720 1.00 0.00 C ATOM 1133 O GLY A 73 8.911 -16.003 -7.221 1.00 0.00 O ATOM 0 H GLY A 73 9.378 -13.579 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.525 -14.730 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.618 -15.147 -5.659 1.00 0.00 H new ATOM 1137 N GLY A 74 10.543 -17.322 -6.364 1.00 0.00 N ATOM 1138 CA GLY A 74 9.797 -18.570 -6.373 1.00 0.00 C ATOM 1139 C GLY A 74 9.400 -18.938 -4.948 1.00 0.00 C ATOM 1140 O GLY A 74 10.128 -18.644 -3.998 1.00 0.00 O ATOM 0 H GLY A 74 11.509 -17.433 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.907 -18.469 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.403 -19.364 -6.809 1.00 0.00 H new ATOM 1144 N LEU A 75 8.250 -19.592 -4.785 1.00 0.00 N ATOM 1145 CA LEU A 75 7.612 -19.822 -3.490 1.00 0.00 C ATOM 1146 C LEU A 75 8.483 -20.605 -2.503 1.00 0.00 C ATOM 1147 O LEU A 75 8.371 -20.408 -1.288 1.00 0.00 O ATOM 1148 CB LEU A 75 6.264 -20.527 -3.736 1.00 0.00 C ATOM 1149 CG LEU A 75 5.371 -20.643 -2.491 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.116 -19.288 -1.822 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.035 -21.258 -2.905 1.00 0.00 C ATOM 0 H LEU A 75 7.725 -19.985 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 75 7.457 -18.855 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.720 -19.984 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.457 -21.527 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 75 5.888 -21.270 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.480 -19.428 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.065 -18.850 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.621 -18.621 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.389 -21.347 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.555 -20.620 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.206 -22.246 -3.332 1.00 0.00 H new ATOM 1163 N LYS A 76 9.360 -21.481 -3.002 1.00 0.00 N ATOM 1164 CA LYS A 76 10.294 -22.231 -2.171 1.00 0.00 C ATOM 1165 C LYS A 76 11.323 -21.298 -1.529 1.00 0.00 C ATOM 1166 O LYS A 76 11.650 -21.472 -0.357 1.00 0.00 O ATOM 1167 CB LYS A 76 10.957 -23.309 -3.048 1.00 0.00 C ATOM 1168 CG LYS A 76 11.974 -24.204 -2.324 1.00 0.00 C ATOM 1169 CD LYS A 76 11.365 -25.007 -1.161 1.00 0.00 C ATOM 1170 CE LYS A 76 12.356 -26.018 -0.563 1.00 0.00 C ATOM 1171 NZ LYS A 76 13.495 -25.374 0.141 1.00 0.00 N ATOM 0 H LYS A 76 9.439 -21.687 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 76 9.766 -22.715 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.177 -23.941 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.458 -22.819 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.413 -24.896 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.785 -23.584 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.037 -24.320 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.479 -25.536 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.826 -26.667 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.742 -26.654 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.127 -26.107 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.022 -24.775 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.135 -24.789 0.921 1.00 0.00 H new ATOM 1185 N ASP A 77 11.824 -20.313 -2.277 1.00 0.00 N ATOM 1186 CA ASP A 77 12.828 -19.369 -1.787 1.00 0.00 C ATOM 1187 C ASP A 77 12.194 -18.304 -0.890 1.00 0.00 C ATOM 1188 O ASP A 77 12.816 -17.863 0.077 1.00 0.00 O ATOM 1189 CB ASP A 77 13.532 -18.691 -2.967 1.00 0.00 C ATOM 1190 CG ASP A 77 14.579 -17.676 -2.478 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.648 -18.099 -1.982 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.357 -16.453 -2.618 1.00 0.00 O ATOM 0 H ASP A 77 11.543 -20.148 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 77 13.555 -19.928 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.015 -19.445 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.796 -18.186 -3.592 1.00 0.00 H new ATOM 1197 N ILE A 78 10.953 -17.907 -1.194 1.00 0.00 N ATOM 1198 CA ILE A 78 10.232 -16.851 -0.480 1.00 0.00 C ATOM 1199 C ILE A 78 10.048 -17.229 0.996 1.00 0.00 C ATOM 1200 O ILE A 78 10.287 -16.397 1.872 1.00 0.00 O ATOM 1201 CB ILE A 78 8.909 -16.552 -1.230 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.236 -15.785 -2.531 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.895 -15.749 -0.395 1.00 0.00 C ATOM 1204 CD1 ILE A 78 8.055 -15.676 -3.495 1.00 0.00 C ATOM 0 H ILE A 78 10.414 -18.318 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 78 10.807 -15.925 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 78 8.437 -17.511 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.578 -14.782 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.062 -16.283 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.994 -15.577 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.639 -16.309 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.333 -14.791 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.361 -15.125 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.726 -16.675 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.234 -15.150 -3.007 1.00 0.00 H new ATOM 1216 N ALA A 79 9.670 -18.487 1.260 1.00 0.00 N ATOM 1217 CA ALA A 79 9.489 -19.074 2.593 1.00 0.00 C ATOM 1218 C ALA A 79 8.700 -18.190 3.586 1.00 0.00 C ATOM 1219 O ALA A 79 8.961 -18.204 4.792 1.00 0.00 O ATOM 1220 CB ALA A 79 10.851 -19.539 3.130 1.00 0.00 C ATOM 0 H ALA A 79 9.473 -19.154 0.514 1.00 0.00 H new ATOM 0 HA ALA A 79 8.840 -19.943 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.722 -19.976 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.272 -20.285 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.527 -18.686 3.195 1.00 0.00 H new ATOM 1226 N MET A 80 7.734 -17.419 3.079 1.00 0.00 N ATOM 1227 CA MET A 80 6.760 -16.685 3.892 1.00 0.00 C ATOM 1228 C MET A 80 5.753 -17.671 4.509 1.00 0.00 C ATOM 1229 O MET A 80 5.667 -18.810 4.036 1.00 0.00 O ATOM 1230 CB MET A 80 6.025 -15.661 3.006 1.00 0.00 C ATOM 1231 CG MET A 80 6.877 -14.420 2.714 1.00 0.00 C ATOM 1232 SD MET A 80 7.152 -13.311 4.128 1.00 0.00 S ATOM 1233 CE MET A 80 5.516 -12.534 4.265 1.00 0.00 C ATOM 0 H MET A 80 7.605 -17.285 2.076 1.00 0.00 H new ATOM 0 HA MET A 80 7.275 -16.159 4.696 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.744 -16.135 2.065 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.101 -15.356 3.498 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.846 -14.746 2.336 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.399 -13.852 1.916 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.631 -11.452 4.332 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.921 -12.782 3.386 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.013 -12.901 5.159 1.00 0.00 H new ATOM 1243 N PRO A 81 4.971 -17.259 5.529 1.00 0.00 N ATOM 1244 CA PRO A 81 3.826 -18.022 6.018 1.00 0.00 C ATOM 1245 C PRO A 81 2.919 -18.451 4.861 1.00 0.00 C ATOM 1246 O PRO A 81 2.697 -17.682 3.918 1.00 0.00 O ATOM 1247 CB PRO A 81 3.098 -17.099 7.002 1.00 0.00 C ATOM 1248 CG PRO A 81 4.217 -16.198 7.519 1.00 0.00 C ATOM 1249 CD PRO A 81 5.111 -16.026 6.293 1.00 0.00 C ATOM 0 HA PRO A 81 4.135 -18.945 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.312 -16.525 6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.626 -17.660 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.833 -15.242 7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.754 -16.657 8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.805 -15.162 5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.148 -15.861 6.584 1.00 0.00 H new ATOM 1257 N LYS A 82 2.372 -19.665 4.937 1.00 0.00 N ATOM 1258 CA LYS A 82 1.686 -20.311 3.821 1.00 0.00 C ATOM 1259 C LYS A 82 0.347 -20.886 4.245 1.00 0.00 C ATOM 1260 O LYS A 82 0.102 -21.150 5.423 1.00 0.00 O ATOM 1261 CB LYS A 82 2.588 -21.423 3.240 1.00 0.00 C ATOM 1262 CG LYS A 82 3.592 -20.863 2.225 1.00 0.00 C ATOM 1263 CD LYS A 82 4.915 -21.638 2.219 1.00 0.00 C ATOM 1264 CE LYS A 82 5.878 -20.977 1.221 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.981 -21.877 0.802 1.00 0.00 N ATOM 0 H LYS A 82 2.394 -20.232 5.785 1.00 0.00 H new ATOM 0 HA LYS A 82 1.490 -19.559 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.125 -21.917 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.969 -22.181 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.152 -20.894 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.789 -19.816 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.353 -21.643 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.741 -22.678 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.320 -20.660 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.300 -20.078 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.560 -21.404 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.574 -22.106 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.583 -22.753 0.408 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.480 -21.130 3.238 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.721 -21.878 3.297 1.00 0.00 C ATOM 1281 C VAL A 83 -1.548 -22.956 2.225 1.00 0.00 C ATOM 1282 O VAL A 83 -0.869 -22.734 1.214 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.910 -20.928 3.043 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -4.258 -21.664 3.045 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.976 -19.810 4.099 1.00 0.00 C ATOM 0 H VAL A 83 -0.286 -20.786 2.297 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.933 -22.334 4.264 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.736 -20.501 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.062 -20.951 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.260 -22.422 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.410 -22.142 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.825 -19.160 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.093 -20.251 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.056 -19.226 4.069 1.00 0.00 H new ATOM 1295 N LYS A 84 -2.098 -24.146 2.464 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.827 -25.337 1.662 1.00 0.00 C ATOM 1297 C LYS A 84 -3.101 -26.155 1.481 1.00 0.00 C ATOM 1298 O LYS A 84 -4.109 -25.899 2.148 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.718 -26.174 2.334 1.00 0.00 C ATOM 1300 CG LYS A 84 0.625 -25.419 2.417 1.00 0.00 C ATOM 1301 CD LYS A 84 1.845 -26.317 2.667 1.00 0.00 C ATOM 1302 CE LYS A 84 2.044 -27.335 1.531 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.440 -27.824 1.451 1.00 0.00 N ATOM 0 H LYS A 84 -2.752 -24.311 3.229 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.481 -25.036 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.037 -26.453 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.577 -27.099 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.777 -24.871 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.563 -24.680 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.738 -25.699 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.720 -26.846 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.373 -28.181 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.768 -26.875 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.487 -28.636 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.055 -27.063 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.760 -28.117 2.396 1.00 0.00 H new ATOM 1317 N GLY A 85 -3.055 -27.152 0.599 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.153 -28.065 0.327 1.00 0.00 C ATOM 1319 C GLY A 85 -3.634 -29.281 -0.432 1.00 0.00 C ATOM 1320 O GLY A 85 -4.467 -30.073 -0.918 1.00 0.00 O ATOM 1321 OXT GLY A 85 -2.400 -29.459 -0.513 1.00 0.00 O ATOM 0 H GLY A 85 -2.225 -27.349 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.618 -28.379 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.922 -27.560 -0.258 1.00 0.00 H new TER 1325 GLY A 85