USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot -8:sc= 0.539 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.326 K(o=-8,f=-10) USER MOD Set 1.3: A 59 HIS :FLIP no HD1:sc= 0 X(o=-8.3,f=-8) USER MOD Set 1.4: A 60 CYS SG : rot 170:sc= -2.83 USER MOD Set 1.5: A 73 HIS :FLIP no HD1:sc= -3.24 F(o=-8.9!,f=-8) USER MOD Set 1.6: A 74 THR OG1 : rot 74:sc= 1.14 USER MOD Set 1.7: A 78 HIS : no HD1:sc= -3.31! C(o=-8!,f=-8.7!) USER MOD Set 2.1: A 27 CYS SG : rot 100:sc= 0.336 USER MOD Set 2.2: A 29 THR OG1 : rot 157:sc= 0.00993 USER MOD Set 2.3: A 30 CYS SG : rot -69:sc= -3.5! USER MOD Set 2.4: A 44 HIS :FLIP no HD1:sc= -2.86 F(o=-8.5,f=-7.9) USER MOD Set 2.5: A 48 CYS SG : rot 156:sc= -1.9 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -2.49! F(o=-3.9,f=-2.5!) USER MOD Single : A 31 ASN : amide:sc= -2.39 K(o=-2.4,f=-7.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -47:sc= 0.47 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -176:sc= -0.221 (180deg=-0.257) USER MOD Single : A 49 GLN : amide:sc= -0.42 K(o=-0.42,f=-2.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -5.04! C(o=-5!,f=-5.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.443 K(o=-0.44,f=-4.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 63:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.777 16.806 -7.113 1.00 0.00 N ATOM 95 CA PRO A 11 -2.989 16.648 -8.555 1.00 0.00 C ATOM 96 C PRO A 11 -1.677 16.519 -9.323 1.00 0.00 C ATOM 97 O PRO A 11 -1.517 15.622 -10.149 1.00 0.00 O ATOM 98 CB PRO A 11 -3.716 17.935 -8.951 1.00 0.00 C ATOM 99 CG PRO A 11 -3.308 18.932 -7.922 1.00 0.00 C ATOM 100 CD PRO A 11 -3.123 18.159 -6.646 1.00 0.00 C ATOM 0 HA PRO A 11 -3.545 15.740 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.430 18.259 -9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.797 17.793 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.385 19.435 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.068 19.704 -7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.332 18.586 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.031 18.156 -6.043 1.00 0.00 H new ATOM 108 N GLU A 12 -0.743 17.423 -9.044 1.00 0.00 N ATOM 109 CA GLU A 12 0.555 17.409 -9.710 1.00 0.00 C ATOM 110 C GLU A 12 1.686 17.581 -8.701 1.00 0.00 C ATOM 111 O GLU A 12 2.274 18.656 -8.589 1.00 0.00 O ATOM 112 CB GLU A 12 0.624 18.517 -10.763 1.00 0.00 C ATOM 113 CG GLU A 12 -0.554 18.519 -11.723 1.00 0.00 C ATOM 114 CD GLU A 12 -0.845 19.896 -12.287 1.00 0.00 C ATOM 115 OE1 GLU A 12 0.113 20.676 -12.469 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.030 20.193 -12.547 1.00 0.00 O ATOM 0 H GLU A 12 -0.860 18.173 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 12 0.673 16.443 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.673 19.482 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.546 18.408 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.351 17.830 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.439 18.148 -11.207 1.00 0.00 H new ATOM 123 N GLU A 13 1.984 16.512 -7.967 1.00 0.00 N ATOM 124 CA GLU A 13 3.044 16.545 -6.966 1.00 0.00 C ATOM 125 C GLU A 13 4.359 16.036 -7.549 1.00 0.00 C ATOM 126 O GLU A 13 5.420 16.611 -7.306 1.00 0.00 O ATOM 127 CB GLU A 13 2.653 15.703 -5.750 1.00 0.00 C ATOM 128 CG GLU A 13 1.751 16.433 -4.769 1.00 0.00 C ATOM 129 CD GLU A 13 1.324 15.557 -3.607 1.00 0.00 C ATOM 130 OE1 GLU A 13 1.168 14.335 -3.811 1.00 0.00 O ATOM 131 OE2 GLU A 13 1.146 16.094 -2.493 1.00 0.00 O ATOM 0 H GLU A 13 1.507 15.614 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 13 3.182 17.580 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.148 14.799 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.558 15.386 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.272 17.310 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.865 16.792 -5.293 1.00 0.00 H new ATOM 138 N GLN A 14 4.279 14.956 -8.319 1.00 0.00 N ATOM 139 CA GLN A 14 5.463 14.369 -8.935 1.00 0.00 C ATOM 140 C GLN A 14 5.591 14.803 -10.392 1.00 0.00 C ATOM 141 O GLN A 14 6.685 15.114 -10.863 1.00 0.00 O ATOM 142 CB GLN A 14 5.406 12.843 -8.849 1.00 0.00 C ATOM 143 CG GLN A 14 6.666 12.157 -9.352 1.00 0.00 C ATOM 144 CD GLN A 14 6.628 10.654 -9.160 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.702 9.981 -9.613 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.639 10.117 -8.485 1.00 0.00 N ATOM 0 H GLN A 14 3.408 14.470 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 14 6.338 14.724 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.233 12.552 -7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.553 12.487 -9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.799 12.381 -10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.531 12.565 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.386 10.712 -8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.668 9.110 -8.325 1.00 0.00 H new ATOM 155 N TRP A 15 4.467 14.822 -11.098 1.00 0.00 N ATOM 156 CA TRP A 15 4.453 15.218 -12.502 1.00 0.00 C ATOM 157 C TRP A 15 4.922 16.659 -12.665 1.00 0.00 C ATOM 158 O TRP A 15 5.601 16.993 -13.636 1.00 0.00 O ATOM 159 CB TRP A 15 3.048 15.057 -13.085 1.00 0.00 C ATOM 160 CG TRP A 15 2.522 13.657 -12.989 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.247 12.502 -13.061 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.157 13.265 -12.804 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.416 11.416 -12.933 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.129 11.857 -12.772 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.043 13.966 -12.659 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.053 11.140 -12.604 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.215 13.253 -12.492 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.213 11.852 -12.465 1.00 0.00 C ATOM 0 H TRP A 15 3.553 14.568 -10.722 1.00 0.00 H new ATOM 0 HA TRP A 15 5.140 14.568 -13.044 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.367 15.730 -12.564 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.059 15.362 -14.131 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.317 12.450 -13.198 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.710 10.439 -12.954 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.054 15.046 -12.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.054 10.060 -12.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.148 13.785 -12.380 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.146 11.324 -12.332 1.00 0.00 H new ATOM 179 N GLN A 16 4.556 17.508 -11.711 1.00 0.00 N ATOM 180 CA GLN A 16 4.940 18.914 -11.751 1.00 0.00 C ATOM 181 C GLN A 16 6.430 19.080 -11.471 1.00 0.00 C ATOM 182 O GLN A 16 7.098 19.913 -12.084 1.00 0.00 O ATOM 183 CB GLN A 16 4.126 19.716 -10.733 1.00 0.00 C ATOM 184 CG GLN A 16 4.521 21.183 -10.659 1.00 0.00 C ATOM 185 CD GLN A 16 3.762 22.042 -11.651 1.00 0.00 C ATOM 186 OE1 GLN A 16 2.828 22.756 -11.285 1.00 0.00 O ATOM 187 NE2 GLN A 16 4.160 21.977 -12.917 1.00 0.00 N ATOM 0 H GLN A 16 3.994 17.247 -10.901 1.00 0.00 H new ATOM 0 HA GLN A 16 4.732 19.293 -12.752 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.069 19.645 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.246 19.266 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.340 21.554 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.591 21.277 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.939 21.372 -13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.687 22.532 -13.630 1.00 0.00 H new ATOM 196 N ARG A 17 6.945 18.281 -10.542 1.00 0.00 N ATOM 197 CA ARG A 17 8.356 18.340 -10.181 1.00 0.00 C ATOM 198 C ARG A 17 9.241 18.125 -11.405 1.00 0.00 C ATOM 199 O ARG A 17 10.338 18.674 -11.495 1.00 0.00 O ATOM 200 CB ARG A 17 8.676 17.289 -9.116 1.00 0.00 C ATOM 201 CG ARG A 17 8.497 17.791 -7.692 1.00 0.00 C ATOM 202 CD ARG A 17 8.954 16.756 -6.676 1.00 0.00 C ATOM 203 NE ARG A 17 10.351 16.377 -6.871 1.00 0.00 N ATOM 204 CZ ARG A 17 10.744 15.430 -7.715 1.00 0.00 C ATOM 205 NH1 ARG A 17 9.850 14.770 -8.439 1.00 0.00 N ATOM 206 NH2 ARG A 17 12.033 15.141 -7.837 1.00 0.00 N ATOM 0 H ARG A 17 6.406 17.585 -10.026 1.00 0.00 H new ATOM 0 HA ARG A 17 8.560 19.332 -9.777 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.035 16.421 -9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.704 16.952 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.064 18.712 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.448 18.034 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.823 17.154 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.324 15.870 -6.753 1.00 0.00 H new ATOM 0 HE ARG A 17 11.064 16.866 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.858 14.989 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.154 14.043 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.724 15.646 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.333 14.413 -8.486 1.00 0.00 H new ATOM 220 N ALA A 18 8.755 17.321 -12.346 1.00 0.00 N ATOM 221 CA ALA A 18 9.500 17.034 -13.565 1.00 0.00 C ATOM 222 C ALA A 18 9.090 17.975 -14.693 1.00 0.00 C ATOM 223 O ALA A 18 9.911 18.350 -15.531 1.00 0.00 O ATOM 224 CB ALA A 18 9.294 15.586 -13.981 1.00 0.00 C ATOM 0 H ALA A 18 7.848 16.857 -12.287 1.00 0.00 H new ATOM 0 HA ALA A 18 10.559 17.194 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.856 15.386 -14.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.644 14.926 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.234 15.407 -14.162 1.00 0.00 H new ATOM 230 N ILE A 19 7.816 18.351 -14.709 1.00 0.00 N ATOM 231 CA ILE A 19 7.298 19.248 -15.735 1.00 0.00 C ATOM 232 C ILE A 19 7.991 20.605 -15.680 1.00 0.00 C ATOM 233 O ILE A 19 8.163 21.268 -16.703 1.00 0.00 O ATOM 234 CB ILE A 19 5.778 19.454 -15.588 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.024 18.216 -16.078 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.335 20.690 -16.355 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.640 18.077 -15.484 1.00 0.00 C ATOM 0 H ILE A 19 7.124 18.049 -14.024 1.00 0.00 H new ATOM 0 HA ILE A 19 7.501 18.778 -16.697 1.00 0.00 H new ATOM 0 HB ILE A 19 5.546 19.603 -14.533 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.942 18.257 -17.164 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.606 17.327 -15.835 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.259 20.822 -16.242 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.852 21.566 -15.963 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.576 20.569 -17.411 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.164 17.178 -15.876 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.715 18.004 -14.399 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.041 18.949 -15.748 1.00 0.00 H new ATOM 249 N HIS A 20 8.389 21.012 -14.478 1.00 0.00 N ATOM 250 CA HIS A 20 9.066 22.290 -14.289 1.00 0.00 C ATOM 251 C HIS A 20 10.581 22.111 -14.318 1.00 0.00 C ATOM 252 O HIS A 20 11.317 23.032 -14.669 1.00 0.00 O ATOM 253 CB HIS A 20 8.641 22.926 -12.966 1.00 0.00 C ATOM 254 CG HIS A 20 9.521 22.554 -11.812 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.644 21.391 -11.131 1.00 0.00 N flip ATOM 256 CD2 HIS A 20 10.411 23.433 -11.231 1.00 0.00 C flip ATOM 257 CE1 HIS A 20 10.596 21.586 -10.161 1.00 0.00 C flip ATOM 258 NE2 HIS A 20 11.044 22.826 -10.243 1.00 0.00 N flip ATOM 0 H HIS A 20 8.254 20.475 -13.621 1.00 0.00 H new ATOM 0 HA HIS A 20 8.780 22.950 -15.108 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.641 24.010 -13.077 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.617 22.628 -12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.566 24.457 -11.536 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.925 20.846 -9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.757 23.244 -9.645 1.00 0.00 H new ATOM 266 N GLU A 21 11.039 20.920 -13.945 1.00 0.00 N ATOM 267 CA GLU A 21 12.466 20.622 -13.927 1.00 0.00 C ATOM 268 C GLU A 21 13.016 20.506 -15.345 1.00 0.00 C ATOM 269 O GLU A 21 13.977 21.185 -15.707 1.00 0.00 O ATOM 270 CB GLU A 21 12.729 19.325 -13.158 1.00 0.00 C ATOM 271 CG GLU A 21 12.921 19.530 -11.665 1.00 0.00 C ATOM 272 CD GLU A 21 14.268 20.141 -11.328 1.00 0.00 C ATOM 273 OE1 GLU A 21 14.711 21.046 -12.066 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.878 19.713 -10.327 1.00 0.00 O ATOM 0 H GLU A 21 10.443 20.146 -13.651 1.00 0.00 H new ATOM 0 HA GLU A 21 12.976 21.444 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.894 18.642 -13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.617 18.844 -13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.129 20.175 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.823 18.572 -11.155 1.00 0.00 H new ATOM 281 N ARG A 22 12.400 19.640 -16.144 1.00 0.00 N ATOM 282 CA ARG A 22 12.828 19.434 -17.522 1.00 0.00 C ATOM 283 C ARG A 22 11.929 20.196 -18.491 1.00 0.00 C ATOM 284 O ARG A 22 12.335 21.201 -19.071 1.00 0.00 O ATOM 285 CB ARG A 22 12.816 17.943 -17.864 1.00 0.00 C ATOM 286 CG ARG A 22 14.123 17.235 -17.545 1.00 0.00 C ATOM 287 CD ARG A 22 15.122 17.371 -18.684 1.00 0.00 C ATOM 288 NE ARG A 22 14.849 16.432 -19.768 1.00 0.00 N ATOM 289 CZ ARG A 22 15.246 15.164 -19.759 1.00 0.00 C ATOM 290 NH1 ARG A 22 15.931 14.687 -18.729 1.00 0.00 N ATOM 291 NH2 ARG A 22 14.959 14.371 -20.783 1.00 0.00 N ATOM 0 H ARG A 22 11.603 19.070 -15.860 1.00 0.00 H new ATOM 0 HA ARG A 22 13.844 19.815 -17.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.007 17.460 -17.316 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.598 17.824 -18.925 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.550 17.651 -16.633 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.929 16.180 -17.353 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.093 18.389 -19.071 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.130 17.203 -18.304 1.00 0.00 H new ATOM 0 HE ARG A 22 14.325 16.768 -20.576 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.155 15.294 -17.940 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.234 13.713 -18.725 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.433 14.735 -21.578 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.264 13.398 -20.775 1.00 0.00 H new ATOM 305 N GLY A 23 10.703 19.708 -18.661 1.00 0.00 N ATOM 306 CA GLY A 23 9.766 20.355 -19.561 1.00 0.00 C ATOM 307 C GLY A 23 8.367 19.781 -19.451 1.00 0.00 C ATOM 308 O GLY A 23 7.391 20.525 -19.362 1.00 0.00 O ATOM 0 H GLY A 23 10.343 18.877 -18.192 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.736 21.423 -19.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.120 20.249 -20.587 1.00 0.00 H new ATOM 312 N GLU A 24 8.270 18.455 -19.458 1.00 0.00 N ATOM 313 CA GLU A 24 6.979 17.784 -19.361 1.00 0.00 C ATOM 314 C GLU A 24 7.134 16.394 -18.749 1.00 0.00 C ATOM 315 O GLU A 24 8.248 15.901 -18.577 1.00 0.00 O ATOM 316 CB GLU A 24 6.330 17.676 -20.742 1.00 0.00 C ATOM 317 CG GLU A 24 7.091 16.779 -21.704 1.00 0.00 C ATOM 318 CD GLU A 24 8.429 17.364 -22.114 1.00 0.00 C ATOM 319 OE1 GLU A 24 8.447 18.235 -23.008 1.00 0.00 O ATOM 320 OE2 GLU A 24 9.457 16.951 -21.539 1.00 0.00 O ATOM 0 H GLU A 24 9.069 17.825 -19.530 1.00 0.00 H new ATOM 0 HA GLU A 24 6.337 18.379 -18.712 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.315 17.294 -20.628 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.249 18.673 -21.175 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.251 15.807 -21.238 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.485 16.610 -22.594 1.00 0.00 H new ATOM 327 N ALA A 25 6.007 15.770 -18.423 1.00 0.00 N ATOM 328 CA ALA A 25 6.016 14.437 -17.833 1.00 0.00 C ATOM 329 C ALA A 25 5.092 13.493 -18.594 1.00 0.00 C ATOM 330 O ALA A 25 3.935 13.303 -18.218 1.00 0.00 O ATOM 331 CB ALA A 25 5.612 14.506 -16.367 1.00 0.00 C ATOM 0 H ALA A 25 5.077 16.166 -18.557 1.00 0.00 H new ATOM 0 HA ALA A 25 7.030 14.044 -17.901 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.623 13.504 -15.939 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.314 15.140 -15.825 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.609 14.924 -16.285 1.00 0.00 H new ATOM 337 N VAL A 26 5.610 12.903 -19.667 1.00 0.00 N ATOM 338 CA VAL A 26 4.831 11.978 -20.482 1.00 0.00 C ATOM 339 C VAL A 26 4.289 10.827 -19.640 1.00 0.00 C ATOM 340 O VAL A 26 4.503 10.775 -18.429 1.00 0.00 O ATOM 341 CB VAL A 26 5.672 11.403 -21.637 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.075 12.506 -22.604 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.898 10.683 -21.096 1.00 0.00 C ATOM 0 H VAL A 26 6.566 13.049 -19.992 1.00 0.00 H new ATOM 0 HA VAL A 26 3.998 12.545 -20.897 1.00 0.00 H new ATOM 0 HB VAL A 26 5.065 10.680 -22.181 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.669 12.081 -23.414 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.181 12.973 -23.016 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.665 13.255 -22.076 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.481 10.283 -21.926 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.510 11.383 -20.527 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.583 9.866 -20.447 1.00 0.00 H new ATOM 353 N CYS A 27 3.587 9.906 -20.291 1.00 0.00 N ATOM 354 CA CYS A 27 3.014 8.755 -19.604 1.00 0.00 C ATOM 355 C CYS A 27 4.110 7.868 -19.021 1.00 0.00 C ATOM 356 O CYS A 27 5.036 7.445 -19.714 1.00 0.00 O ATOM 357 CB CYS A 27 2.143 7.943 -20.565 1.00 0.00 C ATOM 358 SG CYS A 27 1.318 6.514 -19.794 1.00 0.00 S ATOM 0 H CYS A 27 3.401 9.934 -21.294 1.00 0.00 H new ATOM 0 HA CYS A 27 2.395 9.123 -18.786 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.385 8.599 -20.994 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.762 7.590 -21.390 1.00 0.00 H new ATOM 0 HG CYS A 27 0.084 6.820 -19.523 1.00 0.00 H new ATOM 363 N PRO A 28 4.004 7.577 -17.716 1.00 0.00 N ATOM 364 CA PRO A 28 4.977 6.738 -17.010 1.00 0.00 C ATOM 365 C PRO A 28 4.902 5.277 -17.441 1.00 0.00 C ATOM 366 O PRO A 28 5.629 4.428 -16.925 1.00 0.00 O ATOM 367 CB PRO A 28 4.572 6.883 -15.541 1.00 0.00 C ATOM 368 CG PRO A 28 3.124 7.231 -15.581 1.00 0.00 C ATOM 369 CD PRO A 28 2.927 8.046 -16.828 1.00 0.00 C ATOM 0 HA PRO A 28 6.003 7.043 -17.215 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.742 5.958 -14.990 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.153 7.661 -15.045 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.507 6.332 -15.601 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.834 7.797 -14.696 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.943 7.878 -17.266 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.009 9.114 -16.627 1.00 0.00 H new ATOM 377 N THR A 29 4.018 4.990 -18.392 1.00 0.00 N ATOM 378 CA THR A 29 3.848 3.632 -18.892 1.00 0.00 C ATOM 379 C THR A 29 4.422 3.487 -20.297 1.00 0.00 C ATOM 380 O THR A 29 5.324 2.682 -20.530 1.00 0.00 O ATOM 381 CB THR A 29 2.363 3.222 -18.912 1.00 0.00 C ATOM 382 OG1 THR A 29 1.748 3.549 -17.661 1.00 0.00 O ATOM 383 CG2 THR A 29 2.216 1.732 -19.181 1.00 0.00 C ATOM 0 H THR A 29 3.409 5.680 -18.831 1.00 0.00 H new ATOM 0 HA THR A 29 4.390 2.975 -18.211 1.00 0.00 H new ATOM 0 HB THR A 29 1.868 3.770 -19.714 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.781 3.644 -17.787 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.159 1.467 -19.190 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.659 1.491 -20.147 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.725 1.169 -18.398 1.00 0.00 H new ATOM 391 N CYS A 30 3.894 4.271 -21.231 1.00 0.00 N ATOM 392 CA CYS A 30 4.354 4.231 -22.613 1.00 0.00 C ATOM 393 C CYS A 30 4.924 5.582 -23.037 1.00 0.00 C ATOM 394 O CYS A 30 5.452 5.727 -24.138 1.00 0.00 O ATOM 395 CB CYS A 30 3.205 3.836 -23.544 1.00 0.00 C ATOM 396 SG CYS A 30 1.560 4.350 -22.954 1.00 0.00 S ATOM 0 H CYS A 30 3.146 4.942 -21.055 1.00 0.00 H new ATOM 0 HA CYS A 30 5.145 3.484 -22.684 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.380 4.275 -24.526 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.211 2.754 -23.672 1.00 0.00 H new ATOM 0 HG CYS A 30 1.241 3.659 -21.900 1.00 0.00 H new ATOM 401 N ASN A 31 4.813 6.568 -22.152 1.00 0.00 N ATOM 402 CA ASN A 31 5.317 7.907 -22.434 1.00 0.00 C ATOM 403 C ASN A 31 4.715 8.456 -23.723 1.00 0.00 C ATOM 404 O ASN A 31 5.399 9.107 -24.513 1.00 0.00 O ATOM 405 CB ASN A 31 6.844 7.889 -22.538 1.00 0.00 C ATOM 406 CG ASN A 31 7.501 7.316 -21.297 1.00 0.00 C ATOM 407 OD1 ASN A 31 6.976 6.394 -20.673 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.656 7.861 -20.934 1.00 0.00 N ATOM 0 H ASN A 31 4.379 6.465 -21.235 1.00 0.00 H new ATOM 0 HA ASN A 31 5.023 8.559 -21.611 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.139 7.301 -23.407 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.206 8.904 -22.702 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.145 7.517 -20.108 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.054 8.624 -21.482 1.00 0.00 H new ATOM 415 N VAL A 32 3.429 8.188 -23.930 1.00 0.00 N ATOM 416 CA VAL A 32 2.733 8.655 -25.123 1.00 0.00 C ATOM 417 C VAL A 32 1.465 9.417 -24.756 1.00 0.00 C ATOM 418 O VAL A 32 0.413 8.820 -24.528 1.00 0.00 O ATOM 419 CB VAL A 32 2.364 7.484 -26.053 1.00 0.00 C ATOM 420 CG1 VAL A 32 3.618 6.771 -26.537 1.00 0.00 C ATOM 421 CG2 VAL A 32 1.430 6.515 -25.344 1.00 0.00 C ATOM 0 H VAL A 32 2.848 7.650 -23.287 1.00 0.00 H new ATOM 0 HA VAL A 32 3.417 9.323 -25.647 1.00 0.00 H new ATOM 0 HB VAL A 32 1.843 7.884 -26.923 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.338 5.947 -27.193 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.247 7.473 -27.085 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.169 6.382 -25.681 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.179 5.694 -26.016 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.922 6.120 -24.455 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.518 7.036 -25.052 1.00 0.00 H new ATOM 431 N VAL A 33 1.571 10.741 -24.701 1.00 0.00 N ATOM 432 CA VAL A 33 0.432 11.586 -24.364 1.00 0.00 C ATOM 433 C VAL A 33 0.703 13.043 -24.723 1.00 0.00 C ATOM 434 O VAL A 33 1.749 13.372 -25.285 1.00 0.00 O ATOM 435 CB VAL A 33 0.090 11.494 -22.865 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.775 10.273 -22.589 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.361 11.457 -22.029 1.00 0.00 C ATOM 0 H VAL A 33 2.435 11.251 -24.886 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.415 11.223 -24.946 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.476 12.382 -22.584 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.007 10.224 -21.525 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.701 10.347 -23.159 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.238 9.372 -22.885 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.100 11.392 -20.973 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.956 10.588 -22.310 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.939 12.364 -22.205 1.00 0.00 H new ATOM 447 N THR A 34 -0.245 13.914 -24.394 1.00 0.00 N ATOM 448 CA THR A 34 -0.110 15.336 -24.683 1.00 0.00 C ATOM 449 C THR A 34 1.242 15.865 -24.218 1.00 0.00 C ATOM 450 O THR A 34 1.791 15.401 -23.219 1.00 0.00 O ATOM 451 CB THR A 34 -1.228 16.155 -24.009 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.506 15.597 -24.331 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.177 17.609 -24.454 1.00 0.00 C ATOM 0 H THR A 34 -1.115 13.659 -23.927 1.00 0.00 H new ATOM 0 HA THR A 34 -0.189 15.448 -25.764 1.00 0.00 H new ATOM 0 HB THR A 34 -1.077 16.116 -22.930 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.211 16.122 -23.898 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.975 18.167 -23.965 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.214 18.039 -24.181 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.305 17.663 -25.535 1.00 0.00 H new ATOM 461 N ARG A 35 1.774 16.839 -24.950 1.00 0.00 N ATOM 462 CA ARG A 35 3.063 17.431 -24.613 1.00 0.00 C ATOM 463 C ARG A 35 3.104 17.846 -23.145 1.00 0.00 C ATOM 464 O ARG A 35 4.049 17.527 -22.424 1.00 0.00 O ATOM 465 CB ARG A 35 3.341 18.642 -25.504 1.00 0.00 C ATOM 466 CG ARG A 35 4.821 18.910 -25.724 1.00 0.00 C ATOM 467 CD ARG A 35 5.412 17.959 -26.753 1.00 0.00 C ATOM 468 NE ARG A 35 4.883 18.204 -28.092 1.00 0.00 N ATOM 469 CZ ARG A 35 5.210 19.258 -28.831 1.00 0.00 C ATOM 470 NH1 ARG A 35 6.062 20.160 -28.364 1.00 0.00 N ATOM 471 NH2 ARG A 35 4.686 19.411 -30.040 1.00 0.00 N ATOM 0 H ARG A 35 1.332 17.235 -25.780 1.00 0.00 H new ATOM 0 HA ARG A 35 3.834 16.680 -24.782 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.861 18.489 -26.470 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.883 19.524 -25.057 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.960 19.939 -26.056 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.355 18.804 -24.780 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.496 18.068 -26.766 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.198 16.931 -26.461 1.00 0.00 H new ATOM 0 HE ARG A 35 4.226 17.528 -28.481 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.468 20.045 -27.435 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.312 20.969 -28.933 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.031 18.719 -30.403 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.938 20.221 -30.606 1.00 0.00 H new ATOM 485 N LYS A 36 2.072 18.560 -22.709 1.00 0.00 N ATOM 486 CA LYS A 36 1.987 19.019 -21.327 1.00 0.00 C ATOM 487 C LYS A 36 1.804 17.842 -20.373 1.00 0.00 C ATOM 488 O LYS A 36 2.356 17.830 -19.273 1.00 0.00 O ATOM 489 CB LYS A 36 0.829 20.005 -21.166 1.00 0.00 C ATOM 490 CG LYS A 36 1.130 21.392 -21.708 1.00 0.00 C ATOM 491 CD LYS A 36 0.731 21.518 -23.169 1.00 0.00 C ATOM 492 CE LYS A 36 -0.759 21.783 -23.319 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.093 23.217 -23.091 1.00 0.00 N ATOM 0 H LYS A 36 1.282 18.834 -23.293 1.00 0.00 H new ATOM 0 HA LYS A 36 2.921 19.523 -21.079 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.049 19.608 -21.676 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.575 20.085 -20.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.597 22.138 -21.119 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.194 21.603 -21.601 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.294 22.328 -23.632 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.994 20.603 -23.699 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.081 21.489 -24.318 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.311 21.165 -22.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.118 23.357 -23.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.809 23.491 -22.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.586 23.806 -23.783 1.00 0.00 H new ATOM 507 N THR A 37 1.026 16.854 -20.803 1.00 0.00 N ATOM 508 CA THR A 37 0.770 15.673 -19.987 1.00 0.00 C ATOM 509 C THR A 37 0.023 16.039 -18.710 1.00 0.00 C ATOM 510 O THR A 37 0.268 15.463 -17.649 1.00 0.00 O ATOM 511 CB THR A 37 2.080 14.953 -19.615 1.00 0.00 C ATOM 512 OG1 THR A 37 2.654 15.554 -18.449 1.00 0.00 O ATOM 513 CG2 THR A 37 3.075 15.011 -20.764 1.00 0.00 C ATOM 0 H THR A 37 0.562 16.848 -21.711 1.00 0.00 H new ATOM 0 HA THR A 37 0.153 15.002 -20.585 1.00 0.00 H new ATOM 0 HB THR A 37 1.849 13.908 -19.409 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.648 16.529 -18.547 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.992 14.496 -20.478 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.646 14.527 -21.642 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.301 16.051 -20.997 1.00 0.00 H new ATOM 521 N LEU A 38 -0.890 16.998 -18.818 1.00 0.00 N ATOM 522 CA LEU A 38 -1.674 17.440 -17.670 1.00 0.00 C ATOM 523 C LEU A 38 -3.092 16.881 -17.731 1.00 0.00 C ATOM 524 O LEU A 38 -3.530 16.171 -16.825 1.00 0.00 O ATOM 525 CB LEU A 38 -1.718 18.968 -17.616 1.00 0.00 C ATOM 526 CG LEU A 38 -0.653 19.641 -16.749 1.00 0.00 C ATOM 527 CD1 LEU A 38 -0.975 19.464 -15.274 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.725 19.079 -17.067 1.00 0.00 C ATOM 0 H LEU A 38 -1.106 17.484 -19.688 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.194 17.064 -16.767 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.625 19.350 -18.633 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.699 19.270 -17.251 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.650 20.708 -16.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.206 19.949 -14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.944 19.914 -15.056 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.006 18.401 -15.033 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.471 19.569 -16.441 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.735 18.007 -16.871 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.958 19.258 -18.117 1.00 0.00 H new ATOM 540 N VAL A 39 -3.804 17.203 -18.806 1.00 0.00 N ATOM 541 CA VAL A 39 -5.171 16.729 -18.988 1.00 0.00 C ATOM 542 C VAL A 39 -5.198 15.403 -19.740 1.00 0.00 C ATOM 543 O VAL A 39 -6.088 14.580 -19.534 1.00 0.00 O ATOM 544 CB VAL A 39 -6.024 17.759 -19.753 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.040 19.091 -19.019 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.505 17.929 -21.173 1.00 0.00 C ATOM 0 H VAL A 39 -3.457 17.790 -19.564 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.592 16.586 -17.993 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.048 17.390 -19.806 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.647 19.805 -19.575 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.462 18.953 -18.024 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.022 19.471 -18.932 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.119 18.660 -21.700 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.472 18.276 -21.144 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.552 16.973 -21.694 1.00 0.00 H new ATOM 556 N GLY A 40 -4.215 15.204 -20.613 1.00 0.00 N ATOM 557 CA GLY A 40 -4.145 13.975 -21.382 1.00 0.00 C ATOM 558 C GLY A 40 -3.515 12.838 -20.602 1.00 0.00 C ATOM 559 O GLY A 40 -3.801 11.667 -20.857 1.00 0.00 O ATOM 0 H GLY A 40 -3.467 15.871 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.149 13.686 -21.692 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.569 14.151 -22.291 1.00 0.00 H new ATOM 563 N LEU A 41 -2.654 13.181 -19.651 1.00 0.00 N ATOM 564 CA LEU A 41 -1.979 12.180 -18.832 1.00 0.00 C ATOM 565 C LEU A 41 -2.976 11.442 -17.944 1.00 0.00 C ATOM 566 O LEU A 41 -2.822 10.250 -17.676 1.00 0.00 O ATOM 567 CB LEU A 41 -0.901 12.839 -17.970 1.00 0.00 C ATOM 568 CG LEU A 41 -0.187 11.925 -16.973 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.633 10.874 -17.706 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.698 12.740 -16.041 1.00 0.00 C ATOM 0 H LEU A 41 -2.406 14.145 -19.428 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.509 11.457 -19.499 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.153 13.277 -18.631 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.358 13.660 -17.417 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.940 11.415 -16.372 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.134 10.233 -16.981 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.025 10.270 -18.331 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.378 11.365 -18.332 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.198 12.073 -15.339 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.445 13.277 -16.626 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.086 13.454 -15.490 1.00 0.00 H new ATOM 582 N LYS A 42 -4.000 12.157 -17.491 1.00 0.00 N ATOM 583 CA LYS A 42 -5.025 11.571 -16.636 1.00 0.00 C ATOM 584 C LYS A 42 -6.114 10.904 -17.470 1.00 0.00 C ATOM 585 O LYS A 42 -6.674 9.881 -17.076 1.00 0.00 O ATOM 586 CB LYS A 42 -5.643 12.644 -15.736 1.00 0.00 C ATOM 587 CG LYS A 42 -4.641 13.312 -14.810 1.00 0.00 C ATOM 588 CD LYS A 42 -5.106 14.697 -14.391 1.00 0.00 C ATOM 589 CE LYS A 42 -6.057 14.631 -13.206 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.225 15.959 -12.555 1.00 0.00 N ATOM 0 H LYS A 42 -4.142 13.145 -17.702 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.552 10.811 -16.014 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.111 13.405 -16.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.434 12.193 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.494 12.693 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.676 13.387 -15.310 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.242 15.309 -14.132 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.602 15.185 -15.230 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.028 14.265 -13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.679 13.914 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.880 15.872 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.303 16.298 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.609 16.637 -13.244 1.00 0.00 H new ATOM 604 N LYS A 43 -6.409 11.489 -18.626 1.00 0.00 N ATOM 605 CA LYS A 43 -7.428 10.950 -19.519 1.00 0.00 C ATOM 606 C LYS A 43 -6.899 9.740 -20.281 1.00 0.00 C ATOM 607 O LYS A 43 -7.670 8.887 -20.724 1.00 0.00 O ATOM 608 CB LYS A 43 -7.892 12.025 -20.505 1.00 0.00 C ATOM 609 CG LYS A 43 -8.374 13.299 -19.833 1.00 0.00 C ATOM 610 CD LYS A 43 -9.868 13.255 -19.560 1.00 0.00 C ATOM 611 CE LYS A 43 -10.483 14.645 -19.600 1.00 0.00 C ATOM 612 NZ LYS A 43 -11.678 14.748 -18.716 1.00 0.00 N ATOM 0 H LYS A 43 -5.956 12.337 -18.967 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.276 10.632 -18.912 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.070 12.268 -21.178 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.697 11.621 -21.118 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.836 13.443 -18.896 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.144 14.155 -20.467 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.355 12.619 -20.299 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.047 12.805 -18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.739 15.380 -19.293 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.767 14.887 -20.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.069 15.710 -18.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.398 14.064 -19.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.403 14.542 -17.735 1.00 0.00 H new ATOM 626 N HIS A 44 -5.580 9.670 -20.430 1.00 0.00 N ATOM 627 CA HIS A 44 -4.948 8.562 -21.138 1.00 0.00 C ATOM 628 C HIS A 44 -4.767 7.361 -20.215 1.00 0.00 C ATOM 629 O HIS A 44 -5.287 6.278 -20.480 1.00 0.00 O ATOM 630 CB HIS A 44 -3.595 8.995 -21.702 1.00 0.00 C ATOM 631 CG HIS A 44 -2.706 7.849 -22.074 1.00 0.00 C ATOM 632 ND1 HIS A 44 -1.993 6.995 -21.302 1.00 0.00 N flip ATOM 633 CD2 HIS A 44 -2.470 7.471 -23.379 1.00 0.00 C flip ATOM 634 CE1 HIS A 44 -1.346 6.126 -22.146 1.00 0.00 C flip ATOM 635 NE2 HIS A 44 -1.651 6.435 -23.394 1.00 0.00 N flip ATOM 0 H HIS A 44 -4.928 10.367 -20.070 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.600 8.270 -21.962 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.760 9.617 -22.582 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.085 9.615 -20.965 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.889 7.948 -24.253 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.694 5.321 -21.840 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.312 5.955 -24.227 1.00 0.00 H new ATOM 643 N MET A 45 -4.024 7.561 -19.131 1.00 0.00 N ATOM 644 CA MET A 45 -3.775 6.494 -18.168 1.00 0.00 C ATOM 645 C MET A 45 -5.036 5.669 -17.932 1.00 0.00 C ATOM 646 O MET A 45 -4.962 4.497 -17.564 1.00 0.00 O ATOM 647 CB MET A 45 -3.277 7.078 -16.845 1.00 0.00 C ATOM 648 CG MET A 45 -4.340 7.858 -16.087 1.00 0.00 C ATOM 649 SD MET A 45 -3.935 8.068 -14.342 1.00 0.00 S ATOM 650 CE MET A 45 -2.501 9.134 -14.454 1.00 0.00 C ATOM 0 H MET A 45 -3.584 8.451 -18.898 1.00 0.00 H new ATOM 0 HA MET A 45 -3.007 5.839 -18.579 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.913 6.268 -16.213 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.429 7.733 -17.043 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.464 8.838 -16.548 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.296 7.342 -16.175 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.090 9.297 -13.458 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.747 8.664 -15.085 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.792 10.091 -14.888 1.00 0.00 H new ATOM 660 N GLU A 46 -6.192 6.290 -18.145 1.00 0.00 N ATOM 661 CA GLU A 46 -7.469 5.612 -17.954 1.00 0.00 C ATOM 662 C GLU A 46 -7.464 4.241 -18.625 1.00 0.00 C ATOM 663 O GLU A 46 -7.673 3.218 -17.974 1.00 0.00 O ATOM 664 CB GLU A 46 -8.612 6.461 -18.513 1.00 0.00 C ATOM 665 CG GLU A 46 -8.760 7.809 -17.828 1.00 0.00 C ATOM 666 CD GLU A 46 -8.738 7.701 -16.316 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.609 7.001 -15.758 1.00 0.00 O ATOM 668 OE2 GLU A 46 -7.849 8.316 -15.691 1.00 0.00 O ATOM 0 H GLU A 46 -6.271 7.260 -18.450 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.620 5.473 -16.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.447 6.621 -19.579 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.546 5.908 -18.414 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.955 8.468 -18.153 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.696 8.271 -18.142 1.00 0.00 H new ATOM 675 N VAL A 47 -7.223 4.230 -19.932 1.00 0.00 N ATOM 676 CA VAL A 47 -7.190 2.986 -20.693 1.00 0.00 C ATOM 677 C VAL A 47 -5.820 2.324 -20.602 1.00 0.00 C ATOM 678 O VAL A 47 -5.715 1.102 -20.485 1.00 0.00 O ATOM 679 CB VAL A 47 -7.536 3.225 -22.174 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.910 3.863 -22.306 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.473 4.089 -22.837 1.00 0.00 C ATOM 0 H VAL A 47 -7.048 5.068 -20.486 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.939 2.326 -20.255 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.559 2.261 -22.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.137 4.024 -23.360 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.661 3.204 -21.870 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.919 4.819 -21.783 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.734 4.248 -23.883 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.416 5.051 -22.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.507 3.588 -22.776 1.00 0.00 H new ATOM 691 N CYS A 48 -4.770 3.137 -20.657 1.00 0.00 N ATOM 692 CA CYS A 48 -3.405 2.631 -20.582 1.00 0.00 C ATOM 693 C CYS A 48 -3.333 1.392 -19.694 1.00 0.00 C ATOM 694 O CYS A 48 -2.951 0.314 -20.148 1.00 0.00 O ATOM 695 CB CYS A 48 -2.467 3.713 -20.043 1.00 0.00 C ATOM 696 SG CYS A 48 -0.705 3.250 -20.069 1.00 0.00 S ATOM 0 H CYS A 48 -4.839 4.150 -20.753 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.090 2.355 -21.588 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.602 4.621 -20.631 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.754 3.950 -19.019 1.00 0.00 H new ATOM 0 HG CYS A 48 0.026 4.325 -20.087 1.00 0.00 H new ATOM 701 N GLN A 49 -3.701 1.556 -18.427 1.00 0.00 N ATOM 702 CA GLN A 49 -3.677 0.451 -17.476 1.00 0.00 C ATOM 703 C GLN A 49 -4.199 -0.831 -18.118 1.00 0.00 C ATOM 704 O GLN A 49 -3.571 -1.885 -18.023 1.00 0.00 O ATOM 705 CB GLN A 49 -4.513 0.795 -16.242 1.00 0.00 C ATOM 706 CG GLN A 49 -4.208 -0.081 -15.038 1.00 0.00 C ATOM 707 CD GLN A 49 -2.803 0.126 -14.507 1.00 0.00 C ATOM 708 OE1 GLN A 49 -2.072 0.998 -14.977 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.417 -0.677 -13.523 1.00 0.00 N ATOM 0 H GLN A 49 -4.019 2.443 -18.036 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.643 0.288 -17.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.340 1.838 -15.975 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.570 0.701 -16.491 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.927 0.133 -14.247 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.338 -1.128 -15.313 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.056 -1.386 -13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.482 -0.585 -13.126 1.00 0.00 H new ATOM 718 N LYS A 50 -5.351 -0.733 -18.771 1.00 0.00 N ATOM 719 CA LYS A 50 -5.958 -1.883 -19.430 1.00 0.00 C ATOM 720 C LYS A 50 -5.074 -2.389 -20.565 1.00 0.00 C ATOM 721 O LYS A 50 -4.849 -3.592 -20.702 1.00 0.00 O ATOM 722 CB LYS A 50 -7.342 -1.516 -19.971 1.00 0.00 C ATOM 723 CG LYS A 50 -8.362 -1.225 -18.885 1.00 0.00 C ATOM 724 CD LYS A 50 -8.157 0.154 -18.282 1.00 0.00 C ATOM 725 CE LYS A 50 -9.471 0.757 -17.809 1.00 0.00 C ATOM 726 NZ LYS A 50 -9.999 0.060 -16.603 1.00 0.00 N ATOM 0 H LYS A 50 -5.884 0.132 -18.858 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.063 -2.679 -18.693 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.251 -0.642 -20.616 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.708 -2.333 -20.592 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.367 -1.295 -19.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.287 -1.980 -18.102 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.464 0.086 -17.443 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.699 0.811 -19.021 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.325 1.813 -17.583 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.206 0.701 -18.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.895 0.500 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.162 -0.943 -16.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.309 0.135 -15.829 1.00 0.00 H new ATOM 740 N LEU A 51 -4.574 -1.464 -21.377 1.00 0.00 N ATOM 741 CA LEU A 51 -3.712 -1.816 -22.500 1.00 0.00 C ATOM 742 C LEU A 51 -2.498 -2.608 -22.027 1.00 0.00 C ATOM 743 O LEU A 51 -2.234 -3.707 -22.514 1.00 0.00 O ATOM 744 CB LEU A 51 -3.258 -0.554 -23.235 1.00 0.00 C ATOM 745 CG LEU A 51 -4.286 0.087 -24.167 1.00 0.00 C ATOM 746 CD1 LEU A 51 -5.156 1.075 -23.405 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.593 0.775 -25.335 1.00 0.00 C ATOM 0 H LEU A 51 -4.751 -0.464 -21.279 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.286 -2.441 -23.185 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.959 0.186 -22.493 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.370 -0.797 -23.819 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.927 -0.700 -24.563 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.882 1.521 -24.085 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.681 0.555 -22.604 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.529 1.858 -22.979 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.341 1.225 -25.988 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.927 1.551 -24.957 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.015 0.042 -25.898 1.00 0.00 H new ATOM 759 N GLN A 52 -1.763 -2.043 -21.074 1.00 0.00 N ATOM 760 CA GLN A 52 -0.577 -2.697 -20.535 1.00 0.00 C ATOM 761 C GLN A 52 -0.772 -4.209 -20.469 1.00 0.00 C ATOM 762 O GLN A 52 0.110 -4.976 -20.855 1.00 0.00 O ATOM 763 CB GLN A 52 -0.257 -2.152 -19.142 1.00 0.00 C ATOM 764 CG GLN A 52 0.568 -0.875 -19.164 1.00 0.00 C ATOM 765 CD GLN A 52 1.137 -0.523 -17.804 1.00 0.00 C ATOM 766 OE1 GLN A 52 2.276 -0.866 -17.487 1.00 0.00 O ATOM 767 NE2 GLN A 52 0.344 0.165 -16.990 1.00 0.00 N ATOM 0 H GLN A 52 -1.968 -1.134 -20.660 1.00 0.00 H new ATOM 0 HA GLN A 52 0.259 -2.485 -21.202 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.190 -1.963 -18.612 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.282 -2.913 -18.578 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.385 -0.987 -19.877 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.053 -0.052 -19.518 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.593 0.429 -17.294 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.672 0.430 -16.061 1.00 0.00 H new ATOM 776 N ASP A 53 -1.933 -4.629 -19.978 1.00 0.00 N ATOM 777 CA ASP A 53 -2.244 -6.049 -19.862 1.00 0.00 C ATOM 778 C ASP A 53 -2.528 -6.657 -21.232 1.00 0.00 C ATOM 779 O ASP A 53 -2.003 -7.716 -21.573 1.00 0.00 O ATOM 780 CB ASP A 53 -3.446 -6.256 -18.939 1.00 0.00 C ATOM 781 CG ASP A 53 -3.488 -7.651 -18.347 1.00 0.00 C ATOM 782 OD1 ASP A 53 -2.539 -8.018 -17.623 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.471 -8.376 -18.607 1.00 0.00 O ATOM 0 H ASP A 53 -2.674 -4.007 -19.654 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.377 -6.552 -19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.412 -5.523 -18.133 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.364 -6.073 -19.497 1.00 0.00 H new ATOM 788 N ALA A 54 -3.363 -5.979 -22.013 1.00 0.00 N ATOM 789 CA ALA A 54 -3.716 -6.451 -23.345 1.00 0.00 C ATOM 790 C ALA A 54 -2.469 -6.736 -24.176 1.00 0.00 C ATOM 791 O ALA A 54 -2.313 -7.826 -24.726 1.00 0.00 O ATOM 792 CB ALA A 54 -4.600 -5.432 -24.050 1.00 0.00 C ATOM 0 H ALA A 54 -3.807 -5.101 -21.745 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.270 -7.384 -23.237 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.856 -5.798 -25.044 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.512 -5.281 -23.473 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.066 -4.486 -24.138 1.00 0.00 H new ATOM 798 N LEU A 55 -1.584 -5.749 -24.262 1.00 0.00 N ATOM 799 CA LEU A 55 -0.350 -5.893 -25.026 1.00 0.00 C ATOM 800 C LEU A 55 0.466 -7.080 -24.524 1.00 0.00 C ATOM 801 O LEU A 55 1.047 -7.826 -25.313 1.00 0.00 O ATOM 802 CB LEU A 55 0.482 -4.613 -24.935 1.00 0.00 C ATOM 803 CG LEU A 55 0.149 -3.522 -25.953 1.00 0.00 C ATOM 804 CD1 LEU A 55 0.486 -3.985 -27.362 1.00 0.00 C ATOM 805 CD2 LEU A 55 -1.318 -3.130 -25.855 1.00 0.00 C ATOM 0 H LEU A 55 -1.698 -4.841 -23.812 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.616 -6.073 -26.068 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.363 -4.197 -23.935 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.533 -4.878 -25.047 1.00 0.00 H new ATOM 0 HG LEU A 55 0.755 -2.644 -25.727 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.242 -3.195 -28.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.550 -4.214 -27.425 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.092 -4.878 -27.600 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.537 -2.352 -26.587 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.942 -4.002 -26.054 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.528 -2.755 -24.853 1.00 0.00 H new ATOM 817 N LYS A 56 0.503 -7.251 -23.207 1.00 0.00 N ATOM 818 CA LYS A 56 1.244 -8.349 -22.599 1.00 0.00 C ATOM 819 C LYS A 56 0.698 -9.696 -23.061 1.00 0.00 C ATOM 820 O LYS A 56 -0.497 -9.967 -22.943 1.00 0.00 O ATOM 821 CB LYS A 56 1.174 -8.256 -21.073 1.00 0.00 C ATOM 822 CG LYS A 56 1.856 -9.411 -20.360 1.00 0.00 C ATOM 823 CD LYS A 56 2.007 -9.137 -18.873 1.00 0.00 C ATOM 824 CE LYS A 56 3.025 -10.070 -18.235 1.00 0.00 C ATOM 825 NZ LYS A 56 2.714 -10.335 -16.803 1.00 0.00 N ATOM 0 H LYS A 56 0.028 -6.643 -22.540 1.00 0.00 H new ATOM 0 HA LYS A 56 2.284 -8.270 -22.915 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.633 -7.321 -20.753 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.128 -8.218 -20.767 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.277 -10.323 -20.506 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.838 -9.583 -20.801 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.315 -8.102 -18.722 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.042 -9.257 -18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.047 -11.012 -18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.020 -9.632 -18.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.431 -10.975 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.718 -9.439 -16.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.776 -10.777 -16.728 1.00 0.00 H new ATOM 839 N CYS A 57 1.582 -10.539 -23.587 1.00 0.00 N ATOM 840 CA CYS A 57 1.189 -11.858 -24.067 1.00 0.00 C ATOM 841 C CYS A 57 0.707 -12.735 -22.914 1.00 0.00 C ATOM 842 O CYS A 57 0.735 -12.322 -21.755 1.00 0.00 O ATOM 843 CB CYS A 57 2.362 -12.534 -24.780 1.00 0.00 C ATOM 844 SG CYS A 57 1.863 -13.711 -26.078 1.00 0.00 S ATOM 0 H CYS A 57 2.575 -10.331 -23.691 1.00 0.00 H new ATOM 0 HA CYS A 57 0.368 -11.731 -24.772 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.995 -11.766 -25.225 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.969 -13.059 -24.042 1.00 0.00 H new ATOM 0 HG CYS A 57 0.576 -13.888 -26.032 1.00 0.00 H new ATOM 849 N GLN A 58 0.267 -13.945 -23.242 1.00 0.00 N ATOM 850 CA GLN A 58 -0.221 -14.879 -22.235 1.00 0.00 C ATOM 851 C GLN A 58 0.561 -16.188 -22.282 1.00 0.00 C ATOM 852 O GLN A 58 0.612 -16.928 -21.299 1.00 0.00 O ATOM 853 CB GLN A 58 -1.711 -15.154 -22.443 1.00 0.00 C ATOM 854 CG GLN A 58 -2.060 -15.573 -23.862 1.00 0.00 C ATOM 855 CD GLN A 58 -2.177 -14.393 -24.806 1.00 0.00 C ATOM 856 OE1 GLN A 58 -1.340 -14.204 -25.689 1.00 0.00 O ATOM 857 NE2 GLN A 58 -3.220 -13.590 -24.625 1.00 0.00 N ATOM 0 H GLN A 58 0.238 -14.302 -24.197 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.076 -14.425 -21.255 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.027 -15.937 -21.754 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.276 -14.258 -22.188 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.296 -16.256 -24.233 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.002 -16.122 -23.854 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.890 -13.784 -23.881 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.351 -12.780 -25.230 1.00 0.00 H new ATOM 866 N HIS A 59 1.168 -16.468 -23.431 1.00 0.00 N ATOM 867 CA HIS A 59 1.948 -17.688 -23.606 1.00 0.00 C ATOM 868 C HIS A 59 3.392 -17.478 -23.163 1.00 0.00 C ATOM 869 O HIS A 59 4.001 -18.360 -22.555 1.00 0.00 O ATOM 870 CB HIS A 59 1.910 -18.137 -25.067 1.00 0.00 C ATOM 871 CG HIS A 59 0.525 -18.241 -25.626 1.00 0.00 C ATOM 872 ND1 HIS A 59 -0.154 -17.426 -26.467 1.00 0.00 N flip ATOM 873 CD2 HIS A 59 -0.330 -19.281 -25.331 1.00 0.00 C flip ATOM 874 CE1 HIS A 59 -1.393 -17.983 -26.663 1.00 0.00 C flip ATOM 875 NE2 HIS A 59 -1.474 -19.102 -25.966 1.00 0.00 N flip ATOM 0 H HIS A 59 1.135 -15.867 -24.254 1.00 0.00 H new ATOM 0 HA HIS A 59 1.506 -18.465 -22.983 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.484 -17.433 -25.670 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.402 -19.106 -25.154 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.100 -20.113 -24.682 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.174 -17.573 -27.286 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.283 -19.722 -25.925 1.00 0.00 H new ATOM 883 N CYS A 60 3.936 -16.306 -23.471 1.00 0.00 N ATOM 884 CA CYS A 60 5.310 -15.980 -23.107 1.00 0.00 C ATOM 885 C CYS A 60 5.344 -15.028 -21.914 1.00 0.00 C ATOM 886 O CYS A 60 6.325 -14.984 -21.171 1.00 0.00 O ATOM 887 CB CYS A 60 6.040 -15.351 -24.295 1.00 0.00 C ATOM 888 SG CYS A 60 5.423 -13.701 -24.759 1.00 0.00 S ATOM 0 H CYS A 60 3.446 -15.565 -23.972 1.00 0.00 H new ATOM 0 HA CYS A 60 5.815 -16.905 -22.828 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.101 -15.277 -24.057 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.952 -16.015 -25.155 1.00 0.00 H new ATOM 0 HG CYS A 60 6.230 -13.163 -25.625 1.00 0.00 H new ATOM 893 N ARG A 61 4.267 -14.270 -21.737 1.00 0.00 N ATOM 894 CA ARG A 61 4.175 -13.319 -20.636 1.00 0.00 C ATOM 895 C ARG A 61 5.232 -12.227 -20.770 1.00 0.00 C ATOM 896 O ARG A 61 5.941 -11.913 -19.813 1.00 0.00 O ATOM 897 CB ARG A 61 4.337 -14.040 -19.297 1.00 0.00 C ATOM 898 CG ARG A 61 3.386 -15.212 -19.117 1.00 0.00 C ATOM 899 CD ARG A 61 4.000 -16.510 -19.617 1.00 0.00 C ATOM 900 NE ARG A 61 3.385 -17.681 -18.998 1.00 0.00 N ATOM 901 CZ ARG A 61 3.980 -18.866 -18.916 1.00 0.00 C ATOM 902 NH1 ARG A 61 5.198 -19.036 -19.411 1.00 0.00 N ATOM 903 NH2 ARG A 61 3.356 -19.884 -18.337 1.00 0.00 N ATOM 0 H ARG A 61 3.446 -14.296 -22.342 1.00 0.00 H new ATOM 0 HA ARG A 61 3.190 -12.853 -20.673 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.363 -14.398 -19.209 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.178 -13.327 -18.488 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.127 -15.313 -18.063 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.459 -15.016 -19.656 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.887 -16.571 -20.699 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.070 -16.509 -19.408 1.00 0.00 H new ATOM 0 HE ARG A 61 2.448 -17.584 -18.607 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.681 -18.256 -19.856 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.652 -19.947 -19.346 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.419 -19.757 -17.955 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.813 -20.794 -18.274 1.00 0.00 H new ATOM 917 N LYS A 62 5.334 -11.653 -21.963 1.00 0.00 N ATOM 918 CA LYS A 62 6.304 -10.596 -22.224 1.00 0.00 C ATOM 919 C LYS A 62 5.606 -9.310 -22.656 1.00 0.00 C ATOM 920 O LYS A 62 4.610 -9.348 -23.377 1.00 0.00 O ATOM 921 CB LYS A 62 7.294 -11.039 -23.304 1.00 0.00 C ATOM 922 CG LYS A 62 8.411 -11.925 -22.779 1.00 0.00 C ATOM 923 CD LYS A 62 8.967 -12.826 -23.868 1.00 0.00 C ATOM 924 CE LYS A 62 10.269 -13.484 -23.438 1.00 0.00 C ATOM 925 NZ LYS A 62 11.041 -13.999 -24.602 1.00 0.00 N ATOM 0 H LYS A 62 4.756 -11.902 -22.766 1.00 0.00 H new ATOM 0 HA LYS A 62 6.847 -10.400 -21.300 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.753 -11.575 -24.084 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.731 -10.155 -23.769 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.211 -11.303 -22.376 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.037 -12.535 -21.957 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.234 -13.594 -24.115 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.135 -12.243 -24.773 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.876 -12.764 -22.890 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.053 -14.305 -22.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.921 -14.440 -24.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.472 -14.705 -25.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.270 -13.212 -25.242 1.00 0.00 H new ATOM 939 N GLN A 63 6.136 -8.176 -22.211 1.00 0.00 N ATOM 940 CA GLN A 63 5.563 -6.880 -22.553 1.00 0.00 C ATOM 941 C GLN A 63 5.920 -6.487 -23.983 1.00 0.00 C ATOM 942 O GLN A 63 7.058 -6.661 -24.420 1.00 0.00 O ATOM 943 CB GLN A 63 6.055 -5.808 -21.579 1.00 0.00 C ATOM 944 CG GLN A 63 5.074 -4.661 -21.390 1.00 0.00 C ATOM 945 CD GLN A 63 3.658 -5.140 -21.136 1.00 0.00 C ATOM 946 OE1 GLN A 63 3.427 -6.012 -20.297 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.702 -4.572 -21.860 1.00 0.00 N ATOM 0 H GLN A 63 6.961 -8.128 -21.613 1.00 0.00 H new ATOM 0 HA GLN A 63 4.479 -6.959 -22.477 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.251 -6.270 -20.612 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.003 -5.409 -21.940 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.400 -4.043 -20.553 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.086 -4.028 -22.277 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.939 -3.853 -22.544 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.730 -4.854 -21.733 1.00 0.00 H new ATOM 956 N PHE A 64 4.941 -5.956 -24.708 1.00 0.00 N ATOM 957 CA PHE A 64 5.151 -5.539 -26.089 1.00 0.00 C ATOM 958 C PHE A 64 4.753 -4.079 -26.284 1.00 0.00 C ATOM 959 O PHE A 64 3.573 -3.732 -26.222 1.00 0.00 O ATOM 960 CB PHE A 64 4.349 -6.430 -27.040 1.00 0.00 C ATOM 961 CG PHE A 64 5.010 -7.748 -27.327 1.00 0.00 C ATOM 962 CD1 PHE A 64 4.812 -8.833 -26.489 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.828 -7.901 -28.435 1.00 0.00 C ATOM 964 CE1 PHE A 64 5.418 -10.048 -26.750 1.00 0.00 C ATOM 965 CE2 PHE A 64 6.436 -9.114 -28.701 1.00 0.00 C ATOM 966 CZ PHE A 64 6.232 -10.188 -27.857 1.00 0.00 C ATOM 0 H PHE A 64 3.994 -5.804 -24.361 1.00 0.00 H new ATOM 0 HA PHE A 64 6.212 -5.640 -26.315 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.364 -6.613 -26.610 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.194 -5.898 -27.979 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.177 -8.729 -25.622 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.992 -7.064 -29.098 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.255 -10.887 -26.089 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.070 -9.222 -29.569 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.708 -11.135 -28.062 1.00 0.00 H new ATOM 976 N LYS A 65 5.745 -3.228 -26.519 1.00 0.00 N ATOM 977 CA LYS A 65 5.501 -1.805 -26.723 1.00 0.00 C ATOM 978 C LYS A 65 5.101 -1.524 -28.168 1.00 0.00 C ATOM 979 O LYS A 65 5.605 -0.590 -28.791 1.00 0.00 O ATOM 980 CB LYS A 65 6.748 -0.995 -26.362 1.00 0.00 C ATOM 981 CG LYS A 65 6.987 -0.880 -24.866 1.00 0.00 C ATOM 982 CD LYS A 65 7.600 -2.150 -24.300 1.00 0.00 C ATOM 983 CE LYS A 65 8.406 -1.866 -23.042 1.00 0.00 C ATOM 984 NZ LYS A 65 7.549 -1.858 -21.824 1.00 0.00 N ATOM 0 H LYS A 65 6.727 -3.499 -26.573 1.00 0.00 H new ATOM 0 HA LYS A 65 4.680 -1.506 -26.071 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.619 -1.458 -26.826 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.656 0.005 -26.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.647 -0.036 -24.666 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.043 -0.674 -24.361 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.811 -2.867 -24.074 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.244 -2.610 -25.050 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.186 -2.620 -22.932 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.906 -0.902 -23.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.136 -1.661 -20.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.820 -1.122 -21.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.092 -2.786 -21.715 1.00 0.00 H new ATOM 998 N SER A 66 4.190 -2.337 -28.694 1.00 0.00 N ATOM 999 CA SER A 66 3.724 -2.177 -30.066 1.00 0.00 C ATOM 1000 C SER A 66 2.543 -3.101 -30.350 1.00 0.00 C ATOM 1001 O SER A 66 2.706 -4.314 -30.478 1.00 0.00 O ATOM 1002 CB SER A 66 4.859 -2.465 -31.050 1.00 0.00 C ATOM 1003 OG SER A 66 5.635 -1.303 -31.288 1.00 0.00 O ATOM 0 H SER A 66 3.760 -3.113 -28.190 1.00 0.00 H new ATOM 0 HA SER A 66 3.395 -1.146 -30.194 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.496 -3.256 -30.654 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.445 -2.829 -31.991 1.00 0.00 H new ATOM 0 HG SER A 66 6.065 -1.020 -30.454 1.00 0.00 H new ATOM 1009 N LYS A 67 1.354 -2.517 -30.447 1.00 0.00 N ATOM 1010 CA LYS A 67 0.144 -3.285 -30.717 1.00 0.00 C ATOM 1011 C LYS A 67 0.321 -4.162 -31.952 1.00 0.00 C ATOM 1012 O LYS A 67 0.031 -5.358 -31.922 1.00 0.00 O ATOM 1013 CB LYS A 67 -1.048 -2.345 -30.912 1.00 0.00 C ATOM 1014 CG LYS A 67 -2.379 -2.961 -30.515 1.00 0.00 C ATOM 1015 CD LYS A 67 -2.918 -3.874 -31.604 1.00 0.00 C ATOM 1016 CE LYS A 67 -3.896 -4.894 -31.041 1.00 0.00 C ATOM 1017 NZ LYS A 67 -3.198 -6.099 -30.513 1.00 0.00 N ATOM 0 H LYS A 67 1.202 -1.514 -30.343 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.046 -3.930 -29.859 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.886 -1.440 -30.326 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.095 -2.043 -31.958 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.258 -3.527 -29.591 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.101 -2.170 -30.312 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.414 -3.277 -32.369 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.090 -4.391 -32.090 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.481 -4.435 -30.244 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.598 -5.193 -31.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.899 -6.770 -30.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.660 -6.552 -31.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.547 -5.818 -29.752 1.00 0.00 H new ATOM 1031 N ALA A 68 0.799 -3.561 -33.036 1.00 0.00 N ATOM 1032 CA ALA A 68 1.017 -4.289 -34.280 1.00 0.00 C ATOM 1033 C ALA A 68 2.119 -5.331 -34.120 1.00 0.00 C ATOM 1034 O ALA A 68 2.007 -6.448 -34.622 1.00 0.00 O ATOM 1035 CB ALA A 68 1.362 -3.322 -35.404 1.00 0.00 C ATOM 0 H ALA A 68 1.043 -2.571 -33.078 1.00 0.00 H new ATOM 0 HA ALA A 68 0.094 -4.810 -34.534 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.522 -3.879 -36.327 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.542 -2.618 -35.543 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.270 -2.775 -35.148 1.00 0.00 H new ATOM 1041 N GLY A 69 3.184 -4.956 -33.418 1.00 0.00 N ATOM 1042 CA GLY A 69 4.291 -5.870 -33.205 1.00 0.00 C ATOM 1043 C GLY A 69 3.860 -7.156 -32.528 1.00 0.00 C ATOM 1044 O GLY A 69 4.258 -8.247 -32.938 1.00 0.00 O ATOM 0 H GLY A 69 3.300 -4.036 -32.993 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.753 -6.105 -34.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.051 -5.380 -32.596 1.00 0.00 H new ATOM 1048 N LEU A 70 3.045 -7.029 -31.486 1.00 0.00 N ATOM 1049 CA LEU A 70 2.560 -8.190 -30.748 1.00 0.00 C ATOM 1050 C LEU A 70 1.821 -9.153 -31.672 1.00 0.00 C ATOM 1051 O LEU A 70 2.051 -10.361 -31.638 1.00 0.00 O ATOM 1052 CB LEU A 70 1.638 -7.748 -29.611 1.00 0.00 C ATOM 1053 CG LEU A 70 0.939 -8.868 -28.839 1.00 0.00 C ATOM 1054 CD1 LEU A 70 1.946 -9.661 -28.022 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -0.149 -8.298 -27.941 1.00 0.00 C ATOM 0 H LEU A 70 2.706 -6.134 -31.133 1.00 0.00 H new ATOM 0 HA LEU A 70 3.422 -8.708 -30.328 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.222 -7.157 -28.905 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.875 -7.088 -30.024 1.00 0.00 H new ATOM 0 HG LEU A 70 0.473 -9.543 -29.557 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.431 -10.454 -27.479 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.689 -10.101 -28.687 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.441 -8.998 -27.312 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.636 -9.109 -27.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.294 -7.601 -27.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.886 -7.775 -28.550 1.00 0.00 H new ATOM 1067 N ASN A 71 0.935 -8.608 -32.499 1.00 0.00 N ATOM 1068 CA ASN A 71 0.163 -9.419 -33.434 1.00 0.00 C ATOM 1069 C ASN A 71 1.043 -10.479 -34.090 1.00 0.00 C ATOM 1070 O ASN A 71 0.790 -11.677 -33.961 1.00 0.00 O ATOM 1071 CB ASN A 71 -0.471 -8.532 -34.508 1.00 0.00 C ATOM 1072 CG ASN A 71 -1.788 -7.930 -34.056 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -1.756 -6.661 -33.669 1.00 0.00 O flip ATOM 1074 ND2 ASN A 71 -2.821 -8.600 -34.056 1.00 0.00 N flip ATOM 0 H ASN A 71 0.734 -7.609 -32.541 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.626 -9.922 -32.874 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.221 -7.731 -34.769 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.634 -9.120 -35.411 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.798 -9.573 -34.362 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.700 -8.182 -33.750 1.00 0.00 H new ATOM 1081 N TYR A 72 2.078 -10.030 -34.792 1.00 0.00 N ATOM 1082 CA TYR A 72 2.994 -10.939 -35.469 1.00 0.00 C ATOM 1083 C TYR A 72 3.569 -11.961 -34.492 1.00 0.00 C ATOM 1084 O TYR A 72 3.275 -13.153 -34.578 1.00 0.00 O ATOM 1085 CB TYR A 72 4.129 -10.154 -36.130 1.00 0.00 C ATOM 1086 CG TYR A 72 5.140 -11.030 -36.836 1.00 0.00 C ATOM 1087 CD1 TYR A 72 4.854 -11.598 -38.071 1.00 0.00 C ATOM 1088 CD2 TYR A 72 6.381 -11.287 -36.268 1.00 0.00 C ATOM 1089 CE1 TYR A 72 5.774 -12.399 -38.719 1.00 0.00 C ATOM 1090 CE2 TYR A 72 7.308 -12.086 -36.909 1.00 0.00 C ATOM 1091 CZ TYR A 72 7.000 -12.640 -38.134 1.00 0.00 C ATOM 1092 OH TYR A 72 7.920 -13.436 -38.777 1.00 0.00 O ATOM 0 H TYR A 72 2.303 -9.042 -34.907 1.00 0.00 H new ATOM 0 HA TYR A 72 2.434 -11.473 -36.237 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.704 -9.453 -36.848 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.641 -9.562 -35.371 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.896 -11.410 -38.532 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.626 -10.855 -35.309 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.535 -12.834 -39.678 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.269 -12.276 -36.453 1.00 0.00 H new ATOM 0 HH TYR A 72 8.731 -13.504 -38.232 1.00 0.00 H new ATOM 1102 N HIS A 73 4.391 -11.483 -33.563 1.00 0.00 N ATOM 1103 CA HIS A 73 5.007 -12.354 -32.568 1.00 0.00 C ATOM 1104 C HIS A 73 4.032 -13.435 -32.113 1.00 0.00 C ATOM 1105 O HIS A 73 4.306 -14.629 -32.246 1.00 0.00 O ATOM 1106 CB HIS A 73 5.476 -11.535 -31.364 1.00 0.00 C ATOM 1107 CG HIS A 73 5.398 -12.279 -30.067 1.00 0.00 C ATOM 1108 ND1 HIS A 73 4.363 -12.465 -29.214 1.00 0.00 N flip ATOM 1109 CD2 HIS A 73 6.474 -12.938 -29.511 1.00 0.00 C flip ATOM 1110 CE1 HIS A 73 4.828 -13.226 -28.170 1.00 0.00 C flip ATOM 1111 NE2 HIS A 73 6.104 -13.499 -28.373 1.00 0.00 N flip ATOM 0 H HIS A 73 4.646 -10.499 -33.478 1.00 0.00 H new ATOM 0 HA HIS A 73 5.869 -12.838 -33.028 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.505 -11.217 -31.530 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.871 -10.631 -31.292 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.464 -12.988 -29.939 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.245 -13.549 -27.320 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.702 -14.049 -27.757 1.00 0.00 H new ATOM 1119 N THR A 74 2.893 -13.011 -31.576 1.00 0.00 N ATOM 1120 CA THR A 74 1.878 -13.942 -31.100 1.00 0.00 C ATOM 1121 C THR A 74 1.788 -15.166 -32.004 1.00 0.00 C ATOM 1122 O THR A 74 1.731 -16.299 -31.527 1.00 0.00 O ATOM 1123 CB THR A 74 0.493 -13.273 -31.022 1.00 0.00 C ATOM 1124 OG1 THR A 74 0.546 -12.137 -30.151 1.00 0.00 O ATOM 1125 CG2 THR A 74 -0.555 -14.254 -30.521 1.00 0.00 C ATOM 0 H THR A 74 2.650 -12.027 -31.460 1.00 0.00 H new ATOM 0 HA THR A 74 2.179 -14.253 -30.100 1.00 0.00 H new ATOM 0 HB THR A 74 0.214 -12.949 -32.025 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.011 -11.401 -30.601 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.525 -13.758 -30.474 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.614 -15.103 -31.202 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.279 -14.605 -29.527 1.00 0.00 H new ATOM 1133 N MET A 75 1.777 -14.930 -33.312 1.00 0.00 N ATOM 1134 CA MET A 75 1.696 -16.015 -34.283 1.00 0.00 C ATOM 1135 C MET A 75 3.065 -16.649 -34.505 1.00 0.00 C ATOM 1136 O MET A 75 3.238 -17.854 -34.322 1.00 0.00 O ATOM 1137 CB MET A 75 1.138 -15.499 -35.611 1.00 0.00 C ATOM 1138 CG MET A 75 1.271 -16.493 -36.753 1.00 0.00 C ATOM 1139 SD MET A 75 -0.045 -16.328 -37.975 1.00 0.00 S ATOM 1140 CE MET A 75 0.650 -15.079 -39.054 1.00 0.00 C ATOM 0 H MET A 75 1.823 -13.998 -33.724 1.00 0.00 H new ATOM 0 HA MET A 75 1.024 -16.775 -33.886 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.086 -15.247 -35.480 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.655 -14.578 -35.880 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.235 -16.352 -37.242 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.263 -17.506 -36.351 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.049 -14.867 -39.863 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.833 -14.168 -38.485 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.590 -15.441 -39.472 1.00 0.00 H new ATOM 1150 N ALA A 76 4.034 -15.831 -34.901 1.00 0.00 N ATOM 1151 CA ALA A 76 5.388 -16.312 -35.146 1.00 0.00 C ATOM 1152 C ALA A 76 5.853 -17.236 -34.026 1.00 0.00 C ATOM 1153 O ALA A 76 6.177 -18.399 -34.264 1.00 0.00 O ATOM 1154 CB ALA A 76 6.346 -15.139 -35.298 1.00 0.00 C ATOM 0 H ALA A 76 3.907 -14.831 -35.059 1.00 0.00 H new ATOM 0 HA ALA A 76 5.382 -16.884 -36.074 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.353 -15.513 -35.480 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.032 -14.519 -36.138 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.340 -14.544 -34.385 1.00 0.00 H new ATOM 1160 N GLU A 77 5.885 -16.710 -32.806 1.00 0.00 N ATOM 1161 CA GLU A 77 6.313 -17.490 -31.650 1.00 0.00 C ATOM 1162 C GLU A 77 5.250 -18.513 -31.260 1.00 0.00 C ATOM 1163 O GLU A 77 5.527 -19.710 -31.171 1.00 0.00 O ATOM 1164 CB GLU A 77 6.606 -16.567 -30.465 1.00 0.00 C ATOM 1165 CG GLU A 77 8.039 -16.064 -30.426 1.00 0.00 C ATOM 1166 CD GLU A 77 9.050 -17.158 -30.710 1.00 0.00 C ATOM 1167 OE1 GLU A 77 9.389 -17.910 -29.773 1.00 0.00 O ATOM 1168 OE2 GLU A 77 9.501 -17.262 -31.870 1.00 0.00 O ATOM 0 H GLU A 77 5.620 -15.748 -32.592 1.00 0.00 H new ATOM 0 HA GLU A 77 7.224 -18.023 -31.921 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.931 -15.712 -30.505 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.391 -17.100 -29.539 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.159 -15.265 -31.157 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.242 -15.633 -29.446 1.00 0.00 H new ATOM 1175 N HIS A 78 4.032 -18.034 -31.028 1.00 0.00 N ATOM 1176 CA HIS A 78 2.927 -18.907 -30.648 1.00 0.00 C ATOM 1177 C HIS A 78 1.958 -19.095 -31.812 1.00 0.00 C ATOM 1178 O HIS A 78 0.870 -18.518 -31.825 1.00 0.00 O ATOM 1179 CB HIS A 78 2.186 -18.331 -29.441 1.00 0.00 C ATOM 1180 CG HIS A 78 3.083 -17.630 -28.467 1.00 0.00 C ATOM 1181 ND1 HIS A 78 4.312 -18.125 -28.084 1.00 0.00 N ATOM 1182 CD2 HIS A 78 2.924 -16.463 -27.799 1.00 0.00 C ATOM 1183 CE1 HIS A 78 4.869 -17.294 -27.221 1.00 0.00 C ATOM 1184 NE2 HIS A 78 4.048 -16.278 -27.031 1.00 0.00 N ATOM 0 H HIS A 78 3.785 -17.047 -31.096 1.00 0.00 H new ATOM 0 HA HIS A 78 3.340 -19.880 -30.381 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.426 -17.632 -29.791 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.664 -19.138 -28.926 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.073 -15.801 -27.859 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.833 -17.424 -26.751 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.220 -15.484 -26.414 1.00 0.00 H new