USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 907 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 108 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 GLN : amide:sc= -3.2 K(o=-12,f=-18!) USER MOD Set 2.2: A 104 GLN : amide:sc= -8.41! C(o=-12!,f=-16!) USER MOD Set 3.1: A 98 ASN :FLIP amide:sc= 0.0603 F(o=-0.53,f=0.06) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 62 THR OG1 : rot 180:sc= 0.794 USER MOD Set 4.2: A 64 THR OG1 : rot -71:sc= 0.894 USER MOD Single : A 8 SER OG : rot 160:sc= -1.14! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0312) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.172 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -1.15 (180deg=-1.31) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= 0.469 (180deg=-0.758) USER MOD Single : A 35 TYR OH : rot 150:sc= -1.08 USER MOD Single : A 37 SER OG : rot 43:sc= 0.858 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= 0.656 (180deg=0.113) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -131:sc= -7.61! (180deg=-11.5!) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.104) USER MOD Single : A 57 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.58) USER MOD Single : A 63 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.063) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 136:sc= 0.245 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.16 F(o=-1.1,f=-0.16) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.444 USER MOD Single : A 84 ASN : amide:sc= -5.75 X(o=-5.8,f=-5.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= 0.251 (180deg=0.151) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.679 4.151 -13.156 1.00 0.00 N ATOM 15 CA ARG A 2 7.961 4.321 -11.735 1.00 0.00 C ATOM 16 C ARG A 2 7.369 3.173 -10.924 1.00 0.00 C ATOM 17 O ARG A 2 6.848 2.210 -11.487 1.00 0.00 O ATOM 18 CB ARG A 2 7.406 5.661 -11.241 1.00 0.00 C ATOM 19 CG ARG A 2 5.927 5.861 -11.532 1.00 0.00 C ATOM 20 CD ARG A 2 5.695 6.438 -12.920 1.00 0.00 C ATOM 21 NE ARG A 2 5.853 7.892 -12.940 1.00 0.00 N ATOM 22 CZ ARG A 2 6.982 8.516 -13.274 1.00 0.00 C ATOM 23 NH1 ARG A 2 8.060 7.825 -13.620 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.031 9.842 -13.261 1.00 0.00 N ATOM 0 HA ARG A 2 9.042 4.315 -11.597 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.568 5.736 -10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.970 6.470 -11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.407 4.907 -11.444 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.497 6.528 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.396 5.987 -13.622 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.692 6.177 -13.259 1.00 0.00 H new ATOM 0 HE ARG A 2 5.049 8.464 -12.682 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.030 6.806 -13.632 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.919 8.313 -13.874 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.206 10.380 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.894 10.323 -13.516 1.00 0.00 H new ATOM 38 N LEU A 3 7.455 3.276 -9.598 1.00 0.00 N ATOM 39 CA LEU A 3 6.925 2.245 -8.710 1.00 0.00 C ATOM 40 C LEU A 3 5.525 1.822 -9.142 1.00 0.00 C ATOM 41 O LEU A 3 4.575 2.596 -9.039 1.00 0.00 O ATOM 42 CB LEU A 3 6.889 2.756 -7.269 1.00 0.00 C ATOM 43 CG LEU A 3 7.185 1.706 -6.198 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.612 1.192 -6.334 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.951 2.283 -4.812 1.00 0.00 C ATOM 0 H LEU A 3 7.887 4.064 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 3 7.583 1.378 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.611 3.566 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.904 3.181 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 3 6.505 0.866 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.805 0.446 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.744 0.741 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.310 2.021 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.166 1.523 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.607 3.140 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.912 2.600 -4.720 1.00 0.00 H new ATOM 57 N GLU A 4 5.408 0.596 -9.638 1.00 0.00 N ATOM 58 CA GLU A 4 4.125 0.089 -10.096 1.00 0.00 C ATOM 59 C GLU A 4 4.102 -1.437 -10.091 1.00 0.00 C ATOM 60 O GLU A 4 5.147 -2.088 -10.105 1.00 0.00 O ATOM 61 CB GLU A 4 3.828 0.614 -11.503 1.00 0.00 C ATOM 62 CG GLU A 4 4.626 -0.073 -12.601 1.00 0.00 C ATOM 63 CD GLU A 4 4.560 0.669 -13.922 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.240 1.876 -13.908 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.827 0.044 -14.968 1.00 0.00 O ATOM 0 H GLU A 4 6.183 -0.061 -9.732 1.00 0.00 H new ATOM 0 HA GLU A 4 3.355 0.441 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.765 0.490 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.036 1.684 -11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.667 -0.159 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.249 -1.087 -12.739 1.00 0.00 H new ATOM 72 N GLY A 5 2.899 -1.996 -10.075 1.00 0.00 N ATOM 73 CA GLY A 5 2.745 -3.438 -10.073 1.00 0.00 C ATOM 74 C GLY A 5 1.451 -3.862 -9.415 1.00 0.00 C ATOM 75 O GLY A 5 0.453 -3.147 -9.484 1.00 0.00 O ATOM 0 H GLY A 5 2.023 -1.474 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.770 -3.808 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.586 -3.893 -9.549 1.00 0.00 H new ATOM 79 N TRP A 6 1.464 -5.023 -8.773 1.00 0.00 N ATOM 80 CA TRP A 6 0.276 -5.522 -8.100 1.00 0.00 C ATOM 81 C TRP A 6 0.552 -5.812 -6.638 1.00 0.00 C ATOM 82 O TRP A 6 1.453 -6.581 -6.303 1.00 0.00 O ATOM 83 CB TRP A 6 -0.237 -6.790 -8.773 1.00 0.00 C ATOM 84 CG TRP A 6 -0.499 -6.606 -10.224 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.426 -6.593 -11.212 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.768 -6.406 -10.850 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.179 -6.381 -12.424 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.531 -6.267 -12.230 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.077 -6.327 -10.378 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.560 -6.055 -13.142 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.101 -6.117 -11.283 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.836 -5.983 -12.654 1.00 0.00 C ATOM 0 H TRP A 6 2.279 -5.632 -8.705 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.483 -4.743 -8.169 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.493 -7.588 -8.639 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.155 -7.111 -8.281 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.487 -6.730 -11.067 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.299 -6.318 -13.323 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.288 -6.428 -9.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.359 -5.951 -14.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.120 -6.055 -10.929 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.656 -5.820 -13.338 1.00 0.00 H new ATOM 103 N LEU A 7 -0.246 -5.211 -5.774 1.00 0.00 N ATOM 104 CA LEU A 7 -0.111 -5.423 -4.347 1.00 0.00 C ATOM 105 C LEU A 7 -1.406 -5.992 -3.804 1.00 0.00 C ATOM 106 O LEU A 7 -2.480 -5.748 -4.350 1.00 0.00 O ATOM 107 CB LEU A 7 0.257 -4.127 -3.634 1.00 0.00 C ATOM 108 CG LEU A 7 1.638 -3.572 -3.990 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.729 -2.101 -3.632 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.727 -4.363 -3.282 1.00 0.00 C ATOM 0 H LEU A 7 -0.995 -4.571 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 7 0.696 -6.133 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.494 -3.373 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.214 -4.295 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 7 1.783 -3.672 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.718 -1.724 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.971 -1.545 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.563 -1.976 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.703 -3.955 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.584 -4.294 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.675 -5.408 -3.588 1.00 0.00 H new ATOM 122 N SER A 8 -1.301 -6.776 -2.751 1.00 0.00 N ATOM 123 CA SER A 8 -2.470 -7.411 -2.167 1.00 0.00 C ATOM 124 C SER A 8 -3.067 -6.584 -1.038 1.00 0.00 C ATOM 125 O SER A 8 -2.356 -6.089 -0.163 1.00 0.00 O ATOM 126 CB SER A 8 -2.114 -8.813 -1.677 1.00 0.00 C ATOM 127 OG SER A 8 -2.629 -9.803 -2.551 1.00 0.00 O ATOM 0 H SER A 8 -0.421 -6.990 -2.281 1.00 0.00 H new ATOM 0 HA SER A 8 -3.230 -7.485 -2.945 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.031 -8.913 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.514 -8.964 -0.674 1.00 0.00 H new ATOM 0 HG SER A 8 -2.141 -10.643 -2.418 1.00 0.00 H new ATOM 133 N LEU A 9 -4.388 -6.449 -1.069 1.00 0.00 N ATOM 134 CA LEU A 9 -5.114 -5.692 -0.059 1.00 0.00 C ATOM 135 C LEU A 9 -6.108 -6.593 0.668 1.00 0.00 C ATOM 136 O LEU A 9 -6.549 -7.606 0.127 1.00 0.00 O ATOM 137 CB LEU A 9 -5.851 -4.521 -0.711 1.00 0.00 C ATOM 138 CG LEU A 9 -4.958 -3.514 -1.436 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.768 -3.917 -2.891 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.549 -2.114 -1.346 1.00 0.00 C ATOM 0 H LEU A 9 -4.982 -6.859 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.399 -5.304 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.575 -4.919 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.416 -3.994 0.058 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.983 -3.510 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.130 -3.188 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.301 -4.901 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.737 -3.951 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.900 -1.411 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.537 -2.106 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.634 -1.822 -0.299 1.00 0.00 H new ATOM 152 N PRO A 10 -6.480 -6.236 1.909 1.00 0.00 N ATOM 153 CA PRO A 10 -7.428 -7.025 2.700 1.00 0.00 C ATOM 154 C PRO A 10 -8.834 -6.997 2.110 1.00 0.00 C ATOM 155 O PRO A 10 -9.535 -5.989 2.196 1.00 0.00 O ATOM 156 CB PRO A 10 -7.408 -6.343 4.071 1.00 0.00 C ATOM 157 CG PRO A 10 -6.955 -4.950 3.798 1.00 0.00 C ATOM 158 CD PRO A 10 -6.006 -5.044 2.636 1.00 0.00 C ATOM 0 HA PRO A 10 -7.153 -8.079 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.395 -6.354 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.730 -6.852 4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.800 -4.304 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.462 -4.522 4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.043 -4.151 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.974 -5.158 2.967 1.00 0.00 H new ATOM 166 N VAL A 11 -9.238 -8.110 1.503 1.00 0.00 N ATOM 167 CA VAL A 11 -10.558 -8.215 0.892 1.00 0.00 C ATOM 168 C VAL A 11 -11.436 -9.213 1.636 1.00 0.00 C ATOM 169 O VAL A 11 -10.942 -10.030 2.410 1.00 0.00 O ATOM 170 CB VAL A 11 -10.470 -8.641 -0.587 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.328 -7.424 -1.479 1.00 0.00 C ATOM 172 CG2 VAL A 11 -9.316 -9.612 -0.805 1.00 0.00 C ATOM 0 H VAL A 11 -8.669 -8.952 1.422 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.004 -7.222 0.952 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.394 -9.155 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.267 -7.741 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.193 -6.774 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.422 -6.881 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.275 -9.898 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.379 -9.133 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.468 -10.501 -0.193 1.00 0.00 H new ATOM 319 N TRP A 20 -6.520 -11.832 0.418 1.00 0.00 N ATOM 320 CA TRP A 20 -5.723 -10.836 -0.288 1.00 0.00 C ATOM 321 C TRP A 20 -6.160 -10.714 -1.741 1.00 0.00 C ATOM 322 O TRP A 20 -6.758 -11.634 -2.301 1.00 0.00 O ATOM 323 CB TRP A 20 -4.241 -11.201 -0.236 1.00 0.00 C ATOM 324 CG TRP A 20 -3.693 -11.289 1.157 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.261 -12.411 1.800 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.514 -10.204 2.075 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.822 -12.091 3.062 1.00 0.00 N ATOM 328 CE2 TRP A 20 -2.969 -10.742 3.255 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.762 -8.829 2.013 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.668 -9.955 4.363 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.461 -8.048 3.114 1.00 0.00 C ATOM 332 CH2 TRP A 20 -2.920 -8.613 4.274 1.00 0.00 C ATOM 0 HA TRP A 20 -5.878 -9.878 0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.093 -12.158 -0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.672 -10.458 -0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.264 -13.406 1.379 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.448 -12.750 3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.181 -8.385 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.251 -10.388 5.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.647 -6.985 3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.697 -7.976 5.117 1.00 0.00 H new ATOM 343 N VAL A 21 -5.853 -9.574 -2.352 1.00 0.00 N ATOM 344 CA VAL A 21 -6.210 -9.338 -3.745 1.00 0.00 C ATOM 345 C VAL A 21 -5.217 -8.393 -4.419 1.00 0.00 C ATOM 346 O VAL A 21 -5.075 -7.239 -4.016 1.00 0.00 O ATOM 347 CB VAL A 21 -7.638 -8.762 -3.864 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.702 -7.341 -3.321 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.116 -8.808 -5.306 1.00 0.00 C ATOM 0 H VAL A 21 -5.359 -8.802 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.176 -10.302 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.302 -9.382 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.719 -6.960 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.412 -7.340 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.021 -6.705 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.124 -8.398 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.445 -8.219 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.122 -9.841 -5.654 1.00 0.00 H new ATOM 359 N LYS A 22 -4.523 -8.887 -5.443 1.00 0.00 N ATOM 360 CA LYS A 22 -3.544 -8.076 -6.153 1.00 0.00 C ATOM 361 C LYS A 22 -4.222 -7.003 -6.997 1.00 0.00 C ATOM 362 O LYS A 22 -4.832 -7.296 -8.024 1.00 0.00 O ATOM 363 CB LYS A 22 -2.678 -8.942 -7.072 1.00 0.00 C ATOM 364 CG LYS A 22 -1.231 -9.057 -6.629 1.00 0.00 C ATOM 365 CD LYS A 22 -0.471 -10.079 -7.465 1.00 0.00 C ATOM 366 CE LYS A 22 -0.599 -9.803 -8.959 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.681 -11.062 -9.750 1.00 0.00 N ATOM 0 H LYS A 22 -4.622 -9.839 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.918 -7.601 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.111 -9.941 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.707 -8.526 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.746 -8.085 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.193 -9.344 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.582 -10.067 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.848 -11.078 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.489 -9.200 -9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.257 -9.218 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.767 -10.832 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.179 -11.626 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.512 -11.609 -9.447 1.00 0.00 H new ATOM 381 N LYS A 23 -4.075 -5.760 -6.568 1.00 0.00 N ATOM 382 CA LYS A 23 -4.630 -4.630 -7.291 1.00 0.00 C ATOM 383 C LYS A 23 -3.487 -3.834 -7.895 1.00 0.00 C ATOM 384 O LYS A 23 -2.415 -3.733 -7.296 1.00 0.00 O ATOM 385 CB LYS A 23 -5.465 -3.745 -6.368 1.00 0.00 C ATOM 386 CG LYS A 23 -6.577 -4.493 -5.651 1.00 0.00 C ATOM 387 CD LYS A 23 -7.708 -4.850 -6.602 1.00 0.00 C ATOM 388 CE LYS A 23 -9.059 -4.791 -5.910 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.179 -5.068 -6.852 1.00 0.00 N ATOM 0 H LYS A 23 -3.572 -5.508 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.289 -4.994 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.810 -3.287 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.901 -2.935 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.176 -5.402 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.964 -3.880 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.702 -4.164 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.546 -5.851 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.082 -5.516 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.195 -3.806 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.073 -5.119 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.236 -4.305 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.011 -5.974 -7.335 1.00 0.00 H new ATOM 403 N TYR A 24 -3.691 -3.295 -9.084 1.00 0.00 N ATOM 404 CA TYR A 24 -2.636 -2.545 -9.743 1.00 0.00 C ATOM 405 C TYR A 24 -2.377 -1.210 -9.062 1.00 0.00 C ATOM 406 O TYR A 24 -3.157 -0.267 -9.191 1.00 0.00 O ATOM 407 CB TYR A 24 -2.942 -2.329 -11.222 1.00 0.00 C ATOM 408 CG TYR A 24 -1.699 -2.386 -12.078 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.537 -1.736 -11.678 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.676 -3.098 -13.268 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.611 -1.793 -12.441 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.530 -3.158 -14.039 1.00 0.00 C ATOM 413 CZ TYR A 24 0.611 -2.506 -13.622 1.00 0.00 C ATOM 414 OH TYR A 24 1.753 -2.566 -14.385 1.00 0.00 O ATOM 0 H TYR A 24 -4.564 -3.361 -9.607 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.731 -3.147 -9.662 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.648 -3.088 -11.559 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.427 -1.362 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.533 -1.177 -10.754 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.566 -3.613 -13.597 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.505 -1.282 -12.115 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.529 -3.714 -14.965 1.00 0.00 H new ATOM 0 HH TYR A 24 1.585 -3.109 -15.184 1.00 0.00 H new ATOM 424 N VAL A 25 -1.260 -1.142 -8.348 1.00 0.00 N ATOM 425 CA VAL A 25 -0.861 0.072 -7.656 1.00 0.00 C ATOM 426 C VAL A 25 0.318 0.715 -8.370 1.00 0.00 C ATOM 427 O VAL A 25 1.281 0.036 -8.725 1.00 0.00 O ATOM 428 CB VAL A 25 -0.461 -0.207 -6.193 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.302 1.095 -5.424 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.480 -1.116 -5.518 1.00 0.00 C ATOM 0 H VAL A 25 -0.612 -1.921 -8.234 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.720 0.743 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 25 0.500 -0.721 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.020 0.877 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.473 1.702 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.245 1.641 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.177 -1.299 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.459 -0.637 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.534 -2.063 -6.054 1.00 0.00 H new ATOM 440 N ILE A 26 0.243 2.021 -8.579 1.00 0.00 N ATOM 441 CA ILE A 26 1.318 2.735 -9.254 1.00 0.00 C ATOM 442 C ILE A 26 1.578 4.076 -8.583 1.00 0.00 C ATOM 443 O ILE A 26 0.725 4.962 -8.588 1.00 0.00 O ATOM 444 CB ILE A 26 0.996 2.960 -10.747 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.299 1.729 -11.330 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.267 3.267 -11.527 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.053 1.870 -12.796 1.00 0.00 C ATOM 0 H ILE A 26 -0.544 2.604 -8.294 1.00 0.00 H new ATOM 0 HA ILE A 26 2.212 2.116 -9.182 1.00 0.00 H new ATOM 0 HB ILE A 26 0.325 3.815 -10.831 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.946 0.861 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.612 1.535 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.021 3.423 -12.577 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.731 4.168 -11.126 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.960 2.431 -11.437 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.544 0.960 -13.141 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.725 2.718 -12.929 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.856 2.034 -13.374 1.00 0.00 H new ATOM 459 N VAL A 27 2.764 4.215 -8.001 1.00 0.00 N ATOM 460 CA VAL A 27 3.139 5.444 -7.318 1.00 0.00 C ATOM 461 C VAL A 27 3.739 6.449 -8.293 1.00 0.00 C ATOM 462 O VAL A 27 4.888 6.313 -8.711 1.00 0.00 O ATOM 463 CB VAL A 27 4.155 5.173 -6.191 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.348 6.417 -5.336 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.712 3.991 -5.341 1.00 0.00 C ATOM 0 H VAL A 27 3.482 3.490 -7.989 1.00 0.00 H new ATOM 0 HA VAL A 27 2.228 5.857 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 27 5.114 4.921 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.069 6.207 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.719 7.232 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.395 6.704 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.443 3.816 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.741 4.207 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.634 3.102 -5.967 1.00 0.00 H new ATOM 475 N SER A 28 2.956 7.460 -8.647 1.00 0.00 N ATOM 476 CA SER A 28 3.412 8.492 -9.569 1.00 0.00 C ATOM 477 C SER A 28 4.207 9.564 -8.832 1.00 0.00 C ATOM 478 O SER A 28 4.159 9.656 -7.607 1.00 0.00 O ATOM 479 CB SER A 28 2.219 9.130 -10.286 1.00 0.00 C ATOM 480 OG SER A 28 2.639 10.165 -11.158 1.00 0.00 O ATOM 0 H SER A 28 2.002 7.587 -8.310 1.00 0.00 H new ATOM 0 HA SER A 28 4.062 8.023 -10.307 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.682 8.369 -10.853 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.521 9.531 -9.551 1.00 0.00 H new ATOM 0 HG SER A 28 1.858 10.554 -11.604 1.00 0.00 H new ATOM 486 N SER A 29 4.941 10.372 -9.590 1.00 0.00 N ATOM 487 CA SER A 29 5.751 11.439 -9.010 1.00 0.00 C ATOM 488 C SER A 29 4.907 12.359 -8.132 1.00 0.00 C ATOM 489 O SER A 29 4.067 13.111 -8.630 1.00 0.00 O ATOM 490 CB SER A 29 6.428 12.251 -10.116 1.00 0.00 C ATOM 491 OG SER A 29 7.762 12.576 -9.768 1.00 0.00 O ATOM 0 H SER A 29 4.992 10.309 -10.607 1.00 0.00 H new ATOM 0 HA SER A 29 6.515 10.977 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.420 11.682 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.863 13.166 -10.297 1.00 0.00 H new ATOM 0 HG SER A 29 8.172 13.093 -10.492 1.00 0.00 H new ATOM 497 N LYS A 30 5.137 12.296 -6.824 1.00 0.00 N ATOM 498 CA LYS A 30 4.405 13.124 -5.872 1.00 0.00 C ATOM 499 C LYS A 30 2.911 12.815 -5.902 1.00 0.00 C ATOM 500 O LYS A 30 2.081 13.705 -5.723 1.00 0.00 O ATOM 501 CB LYS A 30 4.636 14.607 -6.169 1.00 0.00 C ATOM 502 CG LYS A 30 6.066 15.061 -5.927 1.00 0.00 C ATOM 503 CD LYS A 30 6.188 15.863 -4.641 1.00 0.00 C ATOM 504 CE LYS A 30 7.625 15.904 -4.146 1.00 0.00 C ATOM 505 NZ LYS A 30 7.697 16.069 -2.668 1.00 0.00 N ATOM 0 H LYS A 30 5.827 11.678 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 30 4.781 12.895 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.371 14.806 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.965 15.202 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.721 14.191 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.403 15.667 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.830 16.879 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.550 15.423 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.135 14.985 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.153 16.726 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.241 16.926 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.736 16.156 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.165 15.240 -2.249 1.00 0.00 H new ATOM 519 N LYS A 31 2.575 11.550 -6.128 1.00 0.00 N ATOM 520 CA LYS A 31 1.179 11.129 -6.178 1.00 0.00 C ATOM 521 C LYS A 31 1.067 9.610 -6.266 1.00 0.00 C ATOM 522 O LYS A 31 1.890 8.953 -6.900 1.00 0.00 O ATOM 523 CB LYS A 31 0.472 11.776 -7.371 1.00 0.00 C ATOM 524 CG LYS A 31 -1.000 11.411 -7.478 1.00 0.00 C ATOM 525 CD LYS A 31 -1.894 12.626 -7.287 1.00 0.00 C ATOM 526 CE LYS A 31 -2.172 12.889 -5.816 1.00 0.00 C ATOM 527 NZ LYS A 31 -3.067 14.062 -5.620 1.00 0.00 N ATOM 0 H LYS A 31 3.248 10.799 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 31 0.696 11.455 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.564 12.859 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.979 11.478 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.195 10.965 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.244 10.658 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.419 13.501 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.836 12.472 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.629 12.006 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.231 13.060 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.665 13.907 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.492 14.918 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.670 14.182 -6.459 1.00 0.00 H new ATOM 541 N ILE A 32 0.039 9.060 -5.630 1.00 0.00 N ATOM 542 CA ILE A 32 -0.190 7.619 -5.638 1.00 0.00 C ATOM 543 C ILE A 32 -1.491 7.283 -6.358 1.00 0.00 C ATOM 544 O ILE A 32 -2.545 7.832 -6.040 1.00 0.00 O ATOM 545 CB ILE A 32 -0.242 7.050 -4.209 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.952 7.552 -3.393 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.264 5.529 -4.245 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.975 7.031 -1.973 1.00 0.00 C ATOM 0 H ILE A 32 -0.652 9.592 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 32 0.647 7.163 -6.167 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.157 7.396 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.874 7.258 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.935 8.642 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.301 5.141 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.143 5.191 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.636 5.164 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.848 7.427 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.070 7.348 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.024 5.942 -1.986 1.00 0.00 H new ATOM 560 N LEU A 33 -1.408 6.385 -7.335 1.00 0.00 N ATOM 561 CA LEU A 33 -2.582 5.986 -8.102 1.00 0.00 C ATOM 562 C LEU A 33 -2.977 4.545 -7.796 1.00 0.00 C ATOM 563 O LEU A 33 -2.134 3.718 -7.447 1.00 0.00 O ATOM 564 CB LEU A 33 -2.310 6.144 -9.600 1.00 0.00 C ATOM 565 CG LEU A 33 -1.664 7.471 -10.005 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.541 7.238 -11.004 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.705 8.419 -10.583 1.00 0.00 C ATOM 0 H LEU A 33 -0.543 5.922 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.409 6.635 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.663 5.329 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.252 6.037 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.239 7.930 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.095 8.194 -11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.219 6.599 -10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.941 6.754 -11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.226 9.357 -10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.161 7.966 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.474 8.614 -9.836 1.00 0.00 H new ATOM 579 N PHE A 34 -4.266 4.254 -7.931 1.00 0.00 N ATOM 580 CA PHE A 34 -4.785 2.916 -7.675 1.00 0.00 C ATOM 581 C PHE A 34 -5.782 2.511 -8.751 1.00 0.00 C ATOM 582 O PHE A 34 -6.757 3.217 -9.008 1.00 0.00 O ATOM 583 CB PHE A 34 -5.453 2.859 -6.298 1.00 0.00 C ATOM 584 CG PHE A 34 -5.125 1.621 -5.509 1.00 0.00 C ATOM 585 CD1 PHE A 34 -4.735 0.452 -6.144 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.209 1.628 -4.126 1.00 0.00 C ATOM 587 CE1 PHE A 34 -4.435 -0.682 -5.417 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.912 0.496 -3.393 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.523 -0.661 -4.040 1.00 0.00 C ATOM 0 H PHE A 34 -4.973 4.931 -8.218 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.949 2.217 -7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.151 3.734 -5.723 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.534 2.919 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.665 0.428 -7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.511 2.530 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.132 -1.585 -5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.984 0.515 -2.316 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.288 -1.547 -3.469 1.00 0.00 H new ATOM 599 N TYR A 35 -5.530 1.369 -9.377 1.00 0.00 N ATOM 600 CA TYR A 35 -6.404 0.862 -10.429 1.00 0.00 C ATOM 601 C TYR A 35 -6.710 -0.616 -10.221 1.00 0.00 C ATOM 602 O TYR A 35 -6.057 -1.290 -9.424 1.00 0.00 O ATOM 603 CB TYR A 35 -5.758 1.071 -11.801 1.00 0.00 C ATOM 604 CG TYR A 35 -5.380 2.507 -12.083 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.161 3.022 -11.656 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.241 3.350 -12.776 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.812 4.335 -11.912 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.898 4.663 -13.036 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.684 5.150 -12.602 1.00 0.00 C ATOM 610 OH TYR A 35 -4.340 6.458 -12.859 1.00 0.00 O ATOM 0 H TYR A 35 -4.726 0.775 -9.175 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.341 1.417 -10.385 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.865 0.449 -11.871 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.447 0.728 -12.573 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.476 2.386 -11.116 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.194 2.972 -13.117 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.862 4.720 -11.573 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.578 5.305 -13.577 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.761 6.749 -13.695 1.00 0.00 H new ATOM 620 N ASP A 36 -7.706 -1.116 -10.945 1.00 0.00 N ATOM 621 CA ASP A 36 -8.100 -2.516 -10.843 1.00 0.00 C ATOM 622 C ASP A 36 -7.582 -3.316 -12.035 1.00 0.00 C ATOM 623 O ASP A 36 -7.397 -4.529 -11.946 1.00 0.00 O ATOM 624 CB ASP A 36 -9.623 -2.633 -10.761 1.00 0.00 C ATOM 625 CG ASP A 36 -10.072 -3.982 -10.232 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.283 -4.945 -10.318 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.213 -4.073 -9.734 1.00 0.00 O ATOM 0 H ASP A 36 -8.256 -0.571 -11.610 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.660 -2.926 -9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.011 -1.845 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.051 -2.473 -11.751 1.00 0.00 H new ATOM 632 N SER A 37 -7.347 -2.629 -13.150 1.00 0.00 N ATOM 633 CA SER A 37 -6.850 -3.277 -14.358 1.00 0.00 C ATOM 634 C SER A 37 -6.353 -2.243 -15.363 1.00 0.00 C ATOM 635 O SER A 37 -6.419 -1.040 -15.114 1.00 0.00 O ATOM 636 CB SER A 37 -7.948 -4.135 -14.990 1.00 0.00 C ATOM 637 OG SER A 37 -7.891 -5.469 -14.515 1.00 0.00 O ATOM 0 H SER A 37 -7.493 -1.624 -13.241 1.00 0.00 H new ATOM 0 HA SER A 37 -6.014 -3.918 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.924 -3.707 -14.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.841 -4.127 -16.075 1.00 0.00 H new ATOM 0 HG SER A 37 -7.728 -5.465 -13.549 1.00 0.00 H new ATOM 643 N GLU A 38 -5.858 -2.722 -16.500 1.00 0.00 N ATOM 644 CA GLU A 38 -5.350 -1.838 -17.543 1.00 0.00 C ATOM 645 C GLU A 38 -6.497 -1.207 -18.327 1.00 0.00 C ATOM 646 O GLU A 38 -6.387 -0.078 -18.804 1.00 0.00 O ATOM 647 CB GLU A 38 -4.432 -2.612 -18.492 1.00 0.00 C ATOM 648 CG GLU A 38 -3.164 -1.858 -18.859 1.00 0.00 C ATOM 649 CD GLU A 38 -2.248 -1.643 -17.670 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.867 -2.643 -17.027 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.915 -0.475 -17.381 1.00 0.00 O ATOM 0 H GLU A 38 -5.798 -3.716 -16.722 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.779 -1.041 -17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.160 -3.560 -18.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.981 -2.849 -19.403 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.628 -2.410 -19.631 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.431 -0.892 -19.286 1.00 0.00 H new ATOM 658 N GLN A 39 -7.596 -1.943 -18.454 1.00 0.00 N ATOM 659 CA GLN A 39 -8.763 -1.455 -19.179 1.00 0.00 C ATOM 660 C GLN A 39 -9.321 -0.193 -18.530 1.00 0.00 C ATOM 661 O GLN A 39 -9.691 0.760 -19.214 1.00 0.00 O ATOM 662 CB GLN A 39 -9.845 -2.535 -19.234 1.00 0.00 C ATOM 663 CG GLN A 39 -10.264 -3.044 -17.864 1.00 0.00 C ATOM 664 CD GLN A 39 -10.664 -4.506 -17.884 1.00 0.00 C ATOM 665 OE1 GLN A 39 -11.842 -4.841 -17.764 1.00 0.00 O ATOM 666 NE2 GLN A 39 -9.680 -5.386 -18.033 1.00 0.00 N ATOM 0 H GLN A 39 -7.703 -2.880 -18.064 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.451 -1.211 -20.194 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.720 -2.136 -19.748 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.481 -3.373 -19.828 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.442 -2.905 -17.162 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.100 -2.447 -17.498 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.717 -5.063 -18.129 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.887 -6.385 -18.051 1.00 0.00 H new ATOM 675 N ASP A 40 -9.380 -0.194 -17.202 1.00 0.00 N ATOM 676 CA ASP A 40 -9.893 0.951 -16.458 1.00 0.00 C ATOM 677 C ASP A 40 -8.855 2.066 -16.391 1.00 0.00 C ATOM 678 O ASP A 40 -9.200 3.248 -16.376 1.00 0.00 O ATOM 679 CB ASP A 40 -10.296 0.528 -15.044 1.00 0.00 C ATOM 680 CG ASP A 40 -11.750 0.104 -14.959 1.00 0.00 C ATOM 681 OD1 ASP A 40 -12.627 0.993 -14.957 1.00 0.00 O ATOM 682 OD2 ASP A 40 -12.009 -1.115 -14.893 1.00 0.00 O ATOM 0 H ASP A 40 -9.079 -0.975 -16.619 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.772 1.328 -16.981 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.661 -0.296 -14.719 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.121 1.356 -14.356 1.00 0.00 H new ATOM 687 N LYS A 41 -7.584 1.683 -16.354 1.00 0.00 N ATOM 688 CA LYS A 41 -6.496 2.652 -16.290 1.00 0.00 C ATOM 689 C LYS A 41 -6.509 3.565 -17.512 1.00 0.00 C ATOM 690 O LYS A 41 -6.422 4.786 -17.388 1.00 0.00 O ATOM 691 CB LYS A 41 -5.149 1.933 -16.192 1.00 0.00 C ATOM 692 CG LYS A 41 -4.095 2.718 -15.429 1.00 0.00 C ATOM 693 CD LYS A 41 -3.321 3.653 -16.346 1.00 0.00 C ATOM 694 CE LYS A 41 -1.894 3.174 -16.558 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.733 2.465 -17.857 1.00 0.00 N ATOM 0 H LYS A 41 -7.281 0.709 -16.367 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.640 3.263 -15.399 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.296 0.969 -15.705 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.781 1.729 -17.198 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.573 3.296 -14.638 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.404 2.027 -14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.829 3.723 -17.308 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.309 4.656 -15.918 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.216 4.027 -16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.610 2.508 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.798 2.682 -18.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.815 1.439 -17.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.473 2.778 -18.517 1.00 0.00 H new ATOM 709 N GLU A 42 -6.619 2.963 -18.692 1.00 0.00 N ATOM 710 CA GLU A 42 -6.644 3.721 -19.938 1.00 0.00 C ATOM 711 C GLU A 42 -7.856 4.649 -19.992 1.00 0.00 C ATOM 712 O GLU A 42 -7.849 5.650 -20.708 1.00 0.00 O ATOM 713 CB GLU A 42 -6.661 2.771 -21.136 1.00 0.00 C ATOM 714 CG GLU A 42 -5.377 1.971 -21.296 1.00 0.00 C ATOM 715 CD GLU A 42 -4.339 2.696 -22.129 1.00 0.00 C ATOM 716 OE1 GLU A 42 -4.504 2.753 -23.365 1.00 0.00 O ATOM 717 OE2 GLU A 42 -3.360 3.206 -21.545 1.00 0.00 O ATOM 0 H GLU A 42 -6.692 1.953 -18.812 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.742 4.332 -19.978 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.498 2.081 -21.030 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.836 3.348 -22.044 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.962 1.756 -20.311 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.606 1.012 -21.761 1.00 0.00 H new ATOM 724 N GLN A 43 -8.893 4.310 -19.232 1.00 0.00 N ATOM 725 CA GLN A 43 -10.109 5.116 -19.198 1.00 0.00 C ATOM 726 C GLN A 43 -9.921 6.375 -18.350 1.00 0.00 C ATOM 727 O GLN A 43 -10.812 7.221 -18.281 1.00 0.00 O ATOM 728 CB GLN A 43 -11.274 4.290 -18.650 1.00 0.00 C ATOM 729 CG GLN A 43 -12.076 3.580 -19.728 1.00 0.00 C ATOM 730 CD GLN A 43 -13.309 4.357 -20.146 1.00 0.00 C ATOM 731 OE1 GLN A 43 -14.336 4.328 -19.467 1.00 0.00 O ATOM 732 NE2 GLN A 43 -13.212 5.060 -21.269 1.00 0.00 N ATOM 0 H GLN A 43 -8.916 3.485 -18.633 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.332 5.425 -20.219 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.886 3.550 -17.950 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.939 4.944 -18.086 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.442 3.417 -20.599 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.377 2.598 -19.364 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.341 5.055 -21.800 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.008 5.605 -21.600 1.00 0.00 H new ATOM 741 N SER A 44 -8.762 6.496 -17.708 1.00 0.00 N ATOM 742 CA SER A 44 -8.468 7.653 -16.871 1.00 0.00 C ATOM 743 C SER A 44 -9.432 7.729 -15.690 1.00 0.00 C ATOM 744 O SER A 44 -9.901 8.808 -15.326 1.00 0.00 O ATOM 745 CB SER A 44 -8.550 8.940 -17.696 1.00 0.00 C ATOM 746 OG SER A 44 -7.536 9.855 -17.314 1.00 0.00 O ATOM 0 H SER A 44 -8.012 5.806 -17.752 1.00 0.00 H new ATOM 0 HA SER A 44 -7.455 7.542 -16.484 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.451 8.704 -18.755 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.529 9.400 -17.562 1.00 0.00 H new ATOM 0 HG SER A 44 -7.608 10.668 -17.856 1.00 0.00 H new ATOM 752 N ASN A 45 -9.721 6.577 -15.094 1.00 0.00 N ATOM 753 CA ASN A 45 -10.626 6.513 -13.954 1.00 0.00 C ATOM 754 C ASN A 45 -9.981 5.764 -12.787 1.00 0.00 C ATOM 755 O ASN A 45 -10.373 4.643 -12.461 1.00 0.00 O ATOM 756 CB ASN A 45 -11.939 5.836 -14.359 1.00 0.00 C ATOM 757 CG ASN A 45 -13.152 6.678 -14.014 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.978 6.288 -13.189 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.265 7.839 -14.648 1.00 0.00 N ATOM 0 H ASN A 45 -9.341 5.675 -15.382 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.839 7.531 -13.629 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.929 5.640 -15.431 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.016 4.870 -13.860 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.061 8.448 -14.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.556 8.122 -15.324 1.00 0.00 H new ATOM 766 N PRO A 46 -8.975 6.378 -12.141 1.00 0.00 N ATOM 767 CA PRO A 46 -8.274 5.766 -11.008 1.00 0.00 C ATOM 768 C PRO A 46 -9.227 5.341 -9.897 1.00 0.00 C ATOM 769 O PRO A 46 -9.986 6.155 -9.370 1.00 0.00 O ATOM 770 CB PRO A 46 -7.346 6.881 -10.512 1.00 0.00 C ATOM 771 CG PRO A 46 -7.158 7.774 -11.689 1.00 0.00 C ATOM 772 CD PRO A 46 -8.443 7.715 -12.466 1.00 0.00 C ATOM 0 HA PRO A 46 -7.751 4.856 -11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.788 7.420 -9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.394 6.478 -10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.940 8.794 -11.373 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.318 7.443 -12.299 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.131 8.505 -12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.272 7.831 -13.536 1.00 0.00 H new ATOM 780 N TYR A 47 -9.179 4.061 -9.540 1.00 0.00 N ATOM 781 CA TYR A 47 -10.037 3.529 -8.487 1.00 0.00 C ATOM 782 C TYR A 47 -9.798 4.267 -7.174 1.00 0.00 C ATOM 783 O TYR A 47 -10.711 4.424 -6.363 1.00 0.00 O ATOM 784 CB TYR A 47 -9.779 2.032 -8.298 1.00 0.00 C ATOM 785 CG TYR A 47 -10.676 1.386 -7.267 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.056 1.529 -7.333 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.143 0.630 -6.231 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.879 0.939 -6.392 1.00 0.00 C ATOM 789 CE2 TYR A 47 -10.960 0.036 -5.287 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.327 0.193 -5.372 1.00 0.00 C ATOM 791 OH TYR A 47 -13.143 -0.397 -4.435 1.00 0.00 O ATOM 0 H TYR A 47 -8.556 3.374 -9.964 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.075 3.676 -8.785 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.915 1.525 -9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.739 1.886 -8.005 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.493 2.110 -8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.073 0.504 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.950 1.062 -6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.529 -0.548 -4.487 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.595 -0.887 -3.786 1.00 0.00 H new ATOM 801 N MET A 48 -8.564 4.719 -6.975 1.00 0.00 N ATOM 802 CA MET A 48 -8.199 5.445 -5.766 1.00 0.00 C ATOM 803 C MET A 48 -6.863 6.158 -5.950 1.00 0.00 C ATOM 804 O MET A 48 -5.938 5.613 -6.551 1.00 0.00 O ATOM 805 CB MET A 48 -8.119 4.488 -4.575 1.00 0.00 C ATOM 806 CG MET A 48 -8.369 5.162 -3.235 1.00 0.00 C ATOM 807 SD MET A 48 -8.113 4.048 -1.839 1.00 0.00 S ATOM 808 CE MET A 48 -6.325 3.995 -1.773 1.00 0.00 C ATOM 0 H MET A 48 -7.799 4.594 -7.638 1.00 0.00 H new ATOM 0 HA MET A 48 -8.969 6.191 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.848 3.689 -4.712 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.134 4.022 -4.560 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.706 6.021 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.390 5.543 -3.209 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.994 2.958 -1.717 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.914 4.460 -2.669 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.977 4.535 -0.892 1.00 0.00 H new ATOM 818 N VAL A 49 -6.767 7.378 -5.435 1.00 0.00 N ATOM 819 CA VAL A 49 -5.541 8.158 -5.553 1.00 0.00 C ATOM 820 C VAL A 49 -5.178 8.824 -4.230 1.00 0.00 C ATOM 821 O VAL A 49 -5.990 9.529 -3.633 1.00 0.00 O ATOM 822 CB VAL A 49 -5.664 9.236 -6.648 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.778 10.216 -6.315 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.340 9.964 -6.837 1.00 0.00 C ATOM 0 H VAL A 49 -7.521 7.847 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.750 7.461 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.917 8.743 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.848 10.968 -7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.724 9.680 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.562 10.703 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.448 10.721 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.052 10.443 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.571 9.250 -7.131 1.00 0.00 H new ATOM 834 N LEU A 50 -3.947 8.595 -3.782 1.00 0.00 N ATOM 835 CA LEU A 50 -3.467 9.172 -2.530 1.00 0.00 C ATOM 836 C LEU A 50 -2.358 10.184 -2.794 1.00 0.00 C ATOM 837 O LEU A 50 -1.679 10.121 -3.817 1.00 0.00 O ATOM 838 CB LEU A 50 -2.956 8.070 -1.599 1.00 0.00 C ATOM 839 CG LEU A 50 -3.845 6.825 -1.517 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.120 5.610 -2.078 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.279 6.573 -0.082 1.00 0.00 C ATOM 0 H LEU A 50 -3.264 8.014 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.300 9.685 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.963 7.767 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.845 8.485 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.736 7.000 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.768 4.736 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.861 5.790 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.210 5.432 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.910 5.685 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.399 6.421 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.840 7.433 0.285 1.00 0.00 H new ATOM 853 N ASP A 51 -2.178 11.116 -1.864 1.00 0.00 N ATOM 854 CA ASP A 51 -1.147 12.139 -2.001 1.00 0.00 C ATOM 855 C ASP A 51 0.100 11.764 -1.206 1.00 0.00 C ATOM 856 O ASP A 51 0.045 11.609 0.015 1.00 0.00 O ATOM 857 CB ASP A 51 -1.677 13.495 -1.532 1.00 0.00 C ATOM 858 CG ASP A 51 -2.899 13.940 -2.312 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.541 13.079 -2.950 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.212 15.148 -2.287 1.00 0.00 O ATOM 0 H ASP A 51 -2.731 11.184 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.877 12.208 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.927 13.438 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.892 14.244 -1.634 1.00 0.00 H new ATOM 865 N ILE A 52 1.222 11.619 -1.904 1.00 0.00 N ATOM 866 CA ILE A 52 2.483 11.263 -1.261 1.00 0.00 C ATOM 867 C ILE A 52 2.834 12.256 -0.156 1.00 0.00 C ATOM 868 O ILE A 52 3.333 11.873 0.902 1.00 0.00 O ATOM 869 CB ILE A 52 3.639 11.202 -2.280 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.315 10.196 -3.388 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.949 10.838 -1.588 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.469 9.937 -4.334 1.00 0.00 C ATOM 0 H ILE A 52 1.284 11.742 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 52 2.349 10.273 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 52 3.757 12.188 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.012 9.253 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.463 10.562 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.751 10.800 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.183 11.590 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.849 9.864 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.164 9.215 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.759 10.870 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.316 9.540 -3.774 1.00 0.00 H new ATOM 884 N ASP A 53 2.572 13.532 -0.411 1.00 0.00 N ATOM 885 CA ASP A 53 2.859 14.581 0.560 1.00 0.00 C ATOM 886 C ASP A 53 1.985 14.427 1.802 1.00 0.00 C ATOM 887 O ASP A 53 2.365 14.849 2.894 1.00 0.00 O ATOM 888 CB ASP A 53 2.635 15.958 -0.069 1.00 0.00 C ATOM 889 CG ASP A 53 2.974 17.091 0.881 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.708 16.845 1.860 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.505 18.224 0.644 1.00 0.00 O ATOM 0 H ASP A 53 2.161 13.866 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 53 3.903 14.490 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.245 16.047 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.594 16.047 -0.380 1.00 0.00 H new ATOM 896 N LYS A 54 0.816 13.822 1.626 1.00 0.00 N ATOM 897 CA LYS A 54 -0.112 13.613 2.731 1.00 0.00 C ATOM 898 C LYS A 54 0.357 12.479 3.638 1.00 0.00 C ATOM 899 O LYS A 54 -0.028 12.410 4.807 1.00 0.00 O ATOM 900 CB LYS A 54 -1.512 13.306 2.197 1.00 0.00 C ATOM 901 CG LYS A 54 -2.334 14.548 1.892 1.00 0.00 C ATOM 902 CD LYS A 54 -3.792 14.202 1.641 1.00 0.00 C ATOM 903 CE LYS A 54 -4.726 15.191 2.323 1.00 0.00 C ATOM 904 NZ LYS A 54 -4.461 16.592 1.893 1.00 0.00 N ATOM 0 H LYS A 54 0.488 13.467 0.728 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.145 14.531 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.423 12.708 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.045 12.698 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.263 15.247 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.923 15.052 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.986 14.197 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.996 13.196 2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.760 14.931 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.609 15.115 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.236 17.206 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.565 16.919 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.397 16.631 0.856 1.00 0.00 H new ATOM 918 N LEU A 55 1.185 11.588 3.099 1.00 0.00 N ATOM 919 CA LEU A 55 1.700 10.456 3.867 1.00 0.00 C ATOM 920 C LEU A 55 2.328 10.919 5.176 1.00 0.00 C ATOM 921 O LEU A 55 3.021 11.936 5.219 1.00 0.00 O ATOM 922 CB LEU A 55 2.730 9.675 3.048 1.00 0.00 C ATOM 923 CG LEU A 55 2.205 9.052 1.752 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.223 8.079 1.178 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.875 8.351 1.990 1.00 0.00 C ATOM 0 H LEU A 55 1.514 11.627 2.134 1.00 0.00 H new ATOM 0 HA LEU A 55 0.858 9.804 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.555 10.343 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.139 8.881 3.673 1.00 0.00 H new ATOM 0 HG LEU A 55 2.045 9.853 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.833 7.646 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.152 8.608 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.415 7.285 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.521 7.916 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.007 7.562 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.144 9.072 2.354 1.00 0.00 H new ATOM 937 N PHE A 56 2.083 10.165 6.242 1.00 0.00 N ATOM 938 CA PHE A 56 2.626 10.494 7.553 1.00 0.00 C ATOM 939 C PHE A 56 3.778 9.563 7.908 1.00 0.00 C ATOM 940 O PHE A 56 4.730 9.961 8.580 1.00 0.00 O ATOM 941 CB PHE A 56 1.535 10.402 8.620 1.00 0.00 C ATOM 942 CG PHE A 56 0.674 11.629 8.703 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.242 12.893 8.703 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.705 11.519 8.785 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.450 14.024 8.781 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.502 12.645 8.864 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.922 13.900 8.862 1.00 0.00 C ATOM 0 H PHE A 56 1.511 9.321 6.223 1.00 0.00 H new ATOM 0 HA PHE A 56 3.002 11.516 7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.904 9.538 8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.000 10.228 9.590 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.315 12.996 8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.163 10.541 8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.905 15.004 8.779 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.575 12.545 8.927 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.542 14.782 8.924 1.00 0.00 H new ATOM 957 N HIS A 57 3.686 8.317 7.449 1.00 0.00 N ATOM 958 CA HIS A 57 4.722 7.325 7.718 1.00 0.00 C ATOM 959 C HIS A 57 4.369 5.981 7.087 1.00 0.00 C ATOM 960 O HIS A 57 3.268 5.464 7.280 1.00 0.00 O ATOM 961 CB HIS A 57 4.921 7.159 9.227 1.00 0.00 C ATOM 962 CG HIS A 57 6.211 7.727 9.728 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.608 7.644 11.048 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.201 8.391 9.083 1.00 0.00 C ATOM 965 CE1 HIS A 57 7.783 8.230 11.190 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.164 8.692 10.014 1.00 0.00 N ATOM 0 H HIS A 57 2.906 7.971 6.890 1.00 0.00 H new ATOM 0 HA HIS A 57 5.652 7.680 7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.095 7.641 9.749 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.880 6.099 9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.227 8.638 8.032 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.338 8.316 12.112 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.033 9.192 9.827 1.00 0.00 H new ATOM 975 N VAL A 58 5.312 5.421 6.337 1.00 0.00 N ATOM 976 CA VAL A 58 5.107 4.135 5.681 1.00 0.00 C ATOM 977 C VAL A 58 6.248 3.175 6.005 1.00 0.00 C ATOM 978 O VAL A 58 7.413 3.466 5.734 1.00 0.00 O ATOM 979 CB VAL A 58 4.992 4.293 4.150 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.212 5.006 3.587 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.803 2.939 3.483 1.00 0.00 C ATOM 0 H VAL A 58 6.227 5.838 6.168 1.00 0.00 H new ATOM 0 HA VAL A 58 4.170 3.726 6.060 1.00 0.00 H new ATOM 0 HB VAL A 58 4.115 4.904 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.109 5.106 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.295 5.995 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.108 4.428 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.724 3.073 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.657 2.300 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.892 2.472 3.858 1.00 0.00 H new ATOM 991 N ARG A 59 5.905 2.032 6.590 1.00 0.00 N ATOM 992 CA ARG A 59 6.902 1.032 6.953 1.00 0.00 C ATOM 993 C ARG A 59 6.272 -0.355 7.057 1.00 0.00 C ATOM 994 O ARG A 59 5.052 -0.485 7.158 1.00 0.00 O ATOM 995 CB ARG A 59 7.564 1.405 8.283 1.00 0.00 C ATOM 996 CG ARG A 59 8.769 2.319 8.127 1.00 0.00 C ATOM 997 CD ARG A 59 9.448 2.578 9.462 1.00 0.00 C ATOM 998 NE ARG A 59 10.856 2.932 9.302 1.00 0.00 N ATOM 999 CZ ARG A 59 11.646 3.300 10.307 1.00 0.00 C ATOM 1000 NH1 ARG A 59 11.172 3.364 11.545 1.00 0.00 N ATOM 1001 NH2 ARG A 59 12.915 3.607 10.075 1.00 0.00 N ATOM 0 H ARG A 59 4.946 1.776 6.822 1.00 0.00 H new ATOM 0 HA ARG A 59 7.659 1.008 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.828 1.894 8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.874 0.493 8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.482 1.868 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.455 3.266 7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.929 3.383 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.367 1.689 10.088 1.00 0.00 H new ATOM 0 HE ARG A 59 11.257 2.895 8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.197 3.130 11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.783 3.647 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.286 3.561 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.521 3.889 10.846 1.00 0.00 H new ATOM 1015 N PRO A 60 7.100 -1.413 7.037 1.00 0.00 N ATOM 1016 CA PRO A 60 6.618 -2.796 7.132 1.00 0.00 C ATOM 1017 C PRO A 60 5.792 -3.032 8.392 1.00 0.00 C ATOM 1018 O PRO A 60 6.039 -2.418 9.431 1.00 0.00 O ATOM 1019 CB PRO A 60 7.904 -3.635 7.165 1.00 0.00 C ATOM 1020 CG PRO A 60 8.997 -2.673 7.491 1.00 0.00 C ATOM 1021 CD PRO A 60 8.565 -1.353 6.924 1.00 0.00 C ATOM 0 HA PRO A 60 5.958 -3.051 6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.839 -4.424 7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.081 -4.120 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.149 -2.605 8.568 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.943 -2.994 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.980 -0.516 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.886 -1.233 5.889 1.00 0.00 H new ATOM 1029 N VAL A 61 4.812 -3.924 8.294 1.00 0.00 N ATOM 1030 CA VAL A 61 3.952 -4.237 9.428 1.00 0.00 C ATOM 1031 C VAL A 61 4.472 -5.449 10.196 1.00 0.00 C ATOM 1032 O VAL A 61 5.332 -6.182 9.707 1.00 0.00 O ATOM 1033 CB VAL A 61 2.500 -4.503 8.981 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.935 -3.291 8.257 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.425 -5.743 8.101 1.00 0.00 C ATOM 0 H VAL A 61 4.594 -4.442 7.443 1.00 0.00 H new ATOM 0 HA VAL A 61 3.964 -3.366 10.083 1.00 0.00 H new ATOM 0 HB VAL A 61 1.895 -4.683 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.910 -3.496 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.947 -2.430 8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.542 -3.077 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.392 -5.912 7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.044 -5.599 7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.785 -6.607 8.659 1.00 0.00 H new ATOM 1045 N THR A 62 3.943 -5.654 11.397 1.00 0.00 N ATOM 1046 CA THR A 62 4.353 -6.778 12.231 1.00 0.00 C ATOM 1047 C THR A 62 3.184 -7.727 12.477 1.00 0.00 C ATOM 1048 O THR A 62 2.105 -7.559 11.907 1.00 0.00 O ATOM 1049 CB THR A 62 4.903 -6.273 13.566 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.886 -5.637 14.319 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.042 -5.288 13.410 1.00 0.00 C ATOM 0 H THR A 62 3.230 -5.057 11.815 1.00 0.00 H new ATOM 0 HA THR A 62 5.136 -7.323 11.705 1.00 0.00 H new ATOM 0 HB THR A 62 5.278 -7.160 14.078 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.257 -5.323 15.170 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.385 -4.970 14.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.864 -5.764 12.876 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.698 -4.420 12.848 1.00 0.00 H new ATOM 1059 N GLN A 63 3.404 -8.722 13.330 1.00 0.00 N ATOM 1060 CA GLN A 63 2.369 -9.697 13.651 1.00 0.00 C ATOM 1061 C GLN A 63 1.209 -9.045 14.402 1.00 0.00 C ATOM 1062 O GLN A 63 0.134 -9.631 14.527 1.00 0.00 O ATOM 1063 CB GLN A 63 2.953 -10.837 14.487 1.00 0.00 C ATOM 1064 CG GLN A 63 2.055 -12.061 14.558 1.00 0.00 C ATOM 1065 CD GLN A 63 2.236 -12.987 13.371 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.101 -13.864 13.378 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.420 -12.796 12.341 1.00 0.00 N ATOM 0 H GLN A 63 4.290 -8.874 13.811 1.00 0.00 H new ATOM 0 HA GLN A 63 1.987 -10.099 12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.916 -11.127 14.068 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.141 -10.476 15.498 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.266 -12.609 15.477 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.014 -11.741 14.609 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.717 -12.058 12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.496 -13.388 11.514 1.00 0.00 H new ATOM 1076 N THR A 64 1.430 -7.831 14.902 1.00 0.00 N ATOM 1077 CA THR A 64 0.397 -7.109 15.638 1.00 0.00 C ATOM 1078 C THR A 64 -0.580 -6.428 14.685 1.00 0.00 C ATOM 1079 O THR A 64 -1.741 -6.201 15.030 1.00 0.00 O ATOM 1080 CB THR A 64 1.034 -6.070 16.562 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.546 -4.982 15.814 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.167 -6.626 17.396 1.00 0.00 C ATOM 0 H THR A 64 2.313 -7.329 14.811 1.00 0.00 H new ATOM 0 HA THR A 64 -0.156 -7.831 16.238 1.00 0.00 H new ATOM 0 HB THR A 64 0.235 -5.749 17.231 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.337 -5.272 15.313 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.574 -5.837 18.029 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.794 -7.437 18.022 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.950 -7.005 16.739 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.107 -6.100 13.486 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.941 -5.441 12.488 1.00 0.00 C ATOM 1092 C ASP A 65 -1.999 -6.394 11.938 1.00 0.00 C ATOM 1093 O ASP A 65 -3.061 -5.965 11.486 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.077 -4.903 11.347 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.235 -3.407 11.156 1.00 0.00 C ATOM 1096 OD1 ASP A 65 0.388 -2.641 11.921 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.983 -3.002 10.241 1.00 0.00 O ATOM 0 H ASP A 65 0.850 -6.280 13.183 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.451 -4.609 12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.969 -5.132 11.549 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.343 -5.414 10.422 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.702 -7.689 11.976 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.626 -8.700 11.479 1.00 0.00 C ATOM 1104 C VAL A 66 -2.729 -9.869 12.450 1.00 0.00 C ATOM 1105 O VAL A 66 -2.089 -9.877 13.500 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.191 -9.228 10.098 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.616 -8.267 8.999 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.688 -9.459 10.061 1.00 0.00 C ATOM 0 H VAL A 66 -0.828 -8.062 12.346 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.601 -8.222 11.384 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.686 -10.184 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.300 -8.658 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.701 -8.159 9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.153 -7.295 9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.401 -9.832 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.171 -8.520 10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.414 -10.191 10.821 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.540 -10.856 12.091 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.728 -12.037 12.925 1.00 0.00 C ATOM 1120 C TYR A 67 -3.958 -13.276 12.068 1.00 0.00 C ATOM 1121 O TYR A 67 -3.341 -14.318 12.287 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.909 -11.832 13.879 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.234 -11.657 13.174 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.571 -10.449 12.576 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.151 -12.699 13.110 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.784 -10.285 11.932 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.365 -12.543 12.468 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.677 -11.335 11.881 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.885 -11.175 11.241 1.00 0.00 O ATOM 0 H TYR A 67 -4.080 -10.862 11.225 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.821 -12.187 13.510 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.975 -12.688 14.551 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.718 -10.955 14.497 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.874 -9.625 12.615 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.911 -13.646 13.570 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.031 -9.340 11.471 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.066 -13.364 12.426 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.397 -12.009 11.295 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.844 -13.152 11.083 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.147 -14.261 10.188 1.00 0.00 C ATOM 1141 C ARG A 68 -3.999 -14.495 9.210 1.00 0.00 C ATOM 1142 O ARG A 68 -3.809 -15.606 8.714 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.441 -13.984 9.418 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.342 -12.808 8.459 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.022 -11.569 9.022 1.00 0.00 C ATOM 1146 NE ARG A 68 -7.435 -10.644 7.970 1.00 0.00 N ATOM 1147 CZ ARG A 68 -6.586 -9.932 7.232 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.278 -10.031 7.431 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -7.048 -9.115 6.295 1.00 0.00 N ATOM 0 H ARG A 68 -5.363 -12.296 10.886 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.278 -15.159 10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.718 -14.877 8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.244 -13.794 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.293 -12.589 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.800 -13.075 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.894 -11.867 9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.341 -11.061 9.705 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.433 -10.537 7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.918 -10.655 8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.633 -9.483 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.053 -9.033 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.398 -8.569 5.729 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.233 -13.441 8.942 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.101 -13.527 8.026 1.00 0.00 C ATOM 1165 C ALA A 69 -1.112 -14.599 8.474 1.00 0.00 C ATOM 1166 O ALA A 69 -1.411 -15.405 9.356 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.409 -12.177 7.923 1.00 0.00 C ATOM 0 H ALA A 69 -3.377 -12.516 9.347 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.478 -13.808 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.565 -12.252 7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.114 -11.434 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.050 -11.876 8.907 1.00 0.00 H new ATOM 1173 N ASP A 70 0.066 -14.603 7.859 1.00 0.00 N ATOM 1174 CA ASP A 70 1.100 -15.575 8.193 1.00 0.00 C ATOM 1175 C ASP A 70 2.414 -14.876 8.526 1.00 0.00 C ATOM 1176 O ASP A 70 2.762 -13.866 7.913 1.00 0.00 O ATOM 1177 CB ASP A 70 1.306 -16.553 7.035 1.00 0.00 C ATOM 1178 CG ASP A 70 1.576 -17.967 7.512 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.659 -18.203 8.088 1.00 0.00 O ATOM 1180 OD2 ASP A 70 0.705 -18.838 7.310 1.00 0.00 O ATOM 0 H ASP A 70 0.328 -13.944 7.126 1.00 0.00 H new ATOM 0 HA ASP A 70 0.772 -16.131 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.421 -16.550 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.141 -16.214 6.421 1.00 0.00 H new ATOM 1185 N ALA A 71 3.138 -15.419 9.499 1.00 0.00 N ATOM 1186 CA ALA A 71 4.416 -14.848 9.918 1.00 0.00 C ATOM 1187 C ALA A 71 5.322 -14.569 8.721 1.00 0.00 C ATOM 1188 O ALA A 71 6.168 -13.675 8.766 1.00 0.00 O ATOM 1189 CB ALA A 71 5.112 -15.779 10.899 1.00 0.00 C ATOM 0 H ALA A 71 2.862 -16.255 10.014 1.00 0.00 H new ATOM 0 HA ALA A 71 4.212 -13.898 10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.063 -15.342 11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.481 -15.921 11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.292 -16.742 10.421 1.00 0.00 H new ATOM 1195 N LYS A 72 5.139 -15.338 7.653 1.00 0.00 N ATOM 1196 CA LYS A 72 5.940 -15.171 6.446 1.00 0.00 C ATOM 1197 C LYS A 72 5.443 -13.990 5.618 1.00 0.00 C ATOM 1198 O LYS A 72 6.219 -13.340 4.919 1.00 0.00 O ATOM 1199 CB LYS A 72 5.903 -16.449 5.606 1.00 0.00 C ATOM 1200 CG LYS A 72 6.869 -17.520 6.087 1.00 0.00 C ATOM 1201 CD LYS A 72 6.349 -18.916 5.781 1.00 0.00 C ATOM 1202 CE LYS A 72 5.746 -19.571 7.015 1.00 0.00 C ATOM 1203 NZ LYS A 72 4.483 -20.292 6.699 1.00 0.00 N ATOM 0 H LYS A 72 4.444 -16.082 7.599 1.00 0.00 H new ATOM 0 HA LYS A 72 6.968 -14.970 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.891 -16.853 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.135 -16.200 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.838 -17.379 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.025 -17.416 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.597 -18.861 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.163 -19.533 5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.465 -20.269 7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.551 -18.810 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.483 -21.217 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.672 -19.732 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.411 -20.431 5.671 1.00 0.00 H new ATOM 1217 N GLU A 73 4.144 -13.718 5.702 1.00 0.00 N ATOM 1218 CA GLU A 73 3.542 -12.616 4.959 1.00 0.00 C ATOM 1219 C GLU A 73 3.794 -11.279 5.652 1.00 0.00 C ATOM 1220 O GLU A 73 3.920 -10.245 4.997 1.00 0.00 O ATOM 1221 CB GLU A 73 2.038 -12.844 4.798 1.00 0.00 C ATOM 1222 CG GLU A 73 1.688 -14.199 4.207 1.00 0.00 C ATOM 1223 CD GLU A 73 2.341 -14.433 2.859 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.865 -13.857 1.859 1.00 0.00 O ATOM 1225 OE2 GLU A 73 3.331 -15.194 2.803 1.00 0.00 O ATOM 0 H GLU A 73 3.488 -14.246 6.278 1.00 0.00 H new ATOM 0 HA GLU A 73 4.008 -12.583 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.558 -12.747 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.627 -12.062 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.998 -14.983 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.606 -14.276 4.101 1.00 0.00 H new ATOM 1232 N ILE A 74 3.861 -11.306 6.981 1.00 0.00 N ATOM 1233 CA ILE A 74 4.092 -10.093 7.761 1.00 0.00 C ATOM 1234 C ILE A 74 5.244 -9.262 7.192 1.00 0.00 C ATOM 1235 O ILE A 74 5.082 -8.070 6.931 1.00 0.00 O ATOM 1236 CB ILE A 74 4.383 -10.416 9.242 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.316 -11.357 9.811 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.451 -9.134 10.059 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.897 -10.887 9.565 1.00 0.00 C ATOM 0 H ILE A 74 3.759 -12.153 7.540 1.00 0.00 H new ATOM 0 HA ILE A 74 3.173 -9.510 7.698 1.00 0.00 H new ATOM 0 HB ILE A 74 5.348 -10.919 9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.444 -12.346 9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.473 -11.464 10.884 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.657 -9.377 11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.246 -8.497 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.499 -8.608 9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.197 -11.603 9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.751 -9.912 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.721 -10.808 8.492 1.00 0.00 H new ATOM 1251 N PRO A 75 6.427 -9.873 6.989 1.00 0.00 N ATOM 1252 CA PRO A 75 7.593 -9.163 6.448 1.00 0.00 C ATOM 1253 C PRO A 75 7.387 -8.705 5.006 1.00 0.00 C ATOM 1254 O PRO A 75 8.146 -7.883 4.494 1.00 0.00 O ATOM 1255 CB PRO A 75 8.715 -10.203 6.520 1.00 0.00 C ATOM 1256 CG PRO A 75 8.018 -11.518 6.534 1.00 0.00 C ATOM 1257 CD PRO A 75 6.727 -11.291 7.268 1.00 0.00 C ATOM 0 HA PRO A 75 7.801 -8.251 7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.386 -10.120 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.322 -10.068 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.834 -11.873 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.623 -12.276 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.937 -11.949 6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.833 -11.478 8.337 1.00 0.00 H new ATOM 1265 N ARG A 76 6.358 -9.241 4.351 1.00 0.00 N ATOM 1266 CA ARG A 76 6.065 -8.878 2.968 1.00 0.00 C ATOM 1267 C ARG A 76 4.887 -7.907 2.883 1.00 0.00 C ATOM 1268 O ARG A 76 4.393 -7.614 1.793 1.00 0.00 O ATOM 1269 CB ARG A 76 5.764 -10.133 2.143 1.00 0.00 C ATOM 1270 CG ARG A 76 6.693 -11.297 2.446 1.00 0.00 C ATOM 1271 CD ARG A 76 6.792 -12.257 1.271 1.00 0.00 C ATOM 1272 NE ARG A 76 5.543 -12.983 1.049 1.00 0.00 N ATOM 1273 CZ ARG A 76 5.470 -14.182 0.472 1.00 0.00 C ATOM 1274 NH1 ARG A 76 6.571 -14.795 0.053 1.00 0.00 N ATOM 1275 NH2 ARG A 76 4.292 -14.769 0.314 1.00 0.00 N ATOM 0 H ARG A 76 5.717 -9.924 4.754 1.00 0.00 H new ATOM 0 HA ARG A 76 6.946 -8.380 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.735 -10.442 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.836 -9.887 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.685 -10.917 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.332 -11.832 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.053 -11.701 0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.598 -12.969 1.451 1.00 0.00 H new ATOM 0 HE ARG A 76 4.674 -12.545 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.480 -14.348 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.507 -15.713 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.443 -14.303 0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.235 -15.687 -0.127 1.00 0.00 H new ATOM 1289 N ILE A 77 4.439 -7.409 4.033 1.00 0.00 N ATOM 1290 CA ILE A 77 3.322 -6.473 4.077 1.00 0.00 C ATOM 1291 C ILE A 77 3.748 -5.140 4.684 1.00 0.00 C ATOM 1292 O ILE A 77 4.288 -5.096 5.790 1.00 0.00 O ATOM 1293 CB ILE A 77 2.141 -7.047 4.889 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.673 -8.367 4.277 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.993 -6.048 4.948 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.947 -9.267 5.254 1.00 0.00 C ATOM 0 H ILE A 77 4.833 -7.639 4.945 1.00 0.00 H new ATOM 0 HA ILE A 77 2.999 -6.312 3.048 1.00 0.00 H new ATOM 0 HB ILE A 77 2.480 -7.235 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.015 -8.154 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.537 -8.899 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.171 -6.472 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.334 -5.129 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.651 -5.827 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.645 -10.184 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.609 -9.511 6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.063 -8.754 5.633 1.00 0.00 H new ATOM 1308 N PHE A 78 3.497 -4.055 3.958 1.00 0.00 N ATOM 1309 CA PHE A 78 3.852 -2.722 4.433 1.00 0.00 C ATOM 1310 C PHE A 78 2.616 -1.837 4.546 1.00 0.00 C ATOM 1311 O PHE A 78 1.701 -1.920 3.727 1.00 0.00 O ATOM 1312 CB PHE A 78 4.882 -2.075 3.503 1.00 0.00 C ATOM 1313 CG PHE A 78 4.511 -2.127 2.048 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.619 -3.310 1.331 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.061 -0.992 1.393 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.284 -3.358 -0.009 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.726 -1.035 0.054 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.837 -2.218 -0.648 1.00 0.00 C ATOM 0 H PHE A 78 3.050 -4.072 3.041 1.00 0.00 H new ATOM 0 HA PHE A 78 4.292 -2.825 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.017 -1.034 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.843 -2.572 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.969 -4.204 1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.971 -0.063 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.372 -4.285 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.377 -0.142 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.575 -2.252 -1.695 1.00 0.00 H new ATOM 1328 N GLN A 79 2.592 -0.994 5.575 1.00 0.00 N ATOM 1329 CA GLN A 79 1.466 -0.095 5.806 1.00 0.00 C ATOM 1330 C GLN A 79 1.849 1.353 5.519 1.00 0.00 C ATOM 1331 O GLN A 79 2.937 1.803 5.884 1.00 0.00 O ATOM 1332 CB GLN A 79 0.974 -0.231 7.250 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.200 0.677 7.579 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.572 0.638 9.048 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -1.203 -0.452 9.471 1.00 0.00 O flip ATOM 1336 NE2 GLN A 79 -0.295 1.575 9.796 1.00 0.00 N flip ATOM 0 H GLN A 79 3.341 -0.915 6.263 1.00 0.00 H new ATOM 0 HA GLN A 79 0.663 -0.375 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.684 -1.266 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.797 -0.007 7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.047 1.701 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.062 0.381 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.191 2.394 9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.551 1.533 10.782 1.00 0.00 H new ATOM 1345 N ILE A 80 0.945 2.079 4.867 1.00 0.00 N ATOM 1346 CA ILE A 80 1.180 3.478 4.530 1.00 0.00 C ATOM 1347 C ILE A 80 0.107 4.377 5.135 1.00 0.00 C ATOM 1348 O ILE A 80 -1.061 4.300 4.758 1.00 0.00 O ATOM 1349 CB ILE A 80 1.200 3.699 3.003 1.00 0.00 C ATOM 1350 CG1 ILE A 80 1.941 2.555 2.303 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.838 5.040 2.668 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.021 1.566 1.621 1.00 0.00 C ATOM 0 H ILE A 80 0.041 1.719 4.561 1.00 0.00 H new ATOM 0 HA ILE A 80 2.154 3.737 4.944 1.00 0.00 H new ATOM 0 HB ILE A 80 0.172 3.709 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.623 2.974 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.551 2.026 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.844 5.180 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.266 5.842 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.862 5.060 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.614 0.784 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.356 1.119 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.429 2.081 0.865 1.00 0.00 H new ATOM 1364 N LEU A 81 0.511 5.232 6.069 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.423 6.147 6.716 1.00 0.00 C ATOM 1366 C LEU A 81 -0.527 7.454 5.938 1.00 0.00 C ATOM 1367 O LEU A 81 0.483 8.040 5.550 1.00 0.00 O ATOM 1368 CB LEU A 81 0.012 6.435 8.156 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.835 7.477 8.892 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.166 6.877 9.323 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.081 8.027 10.093 1.00 0.00 C ATOM 0 H LEU A 81 1.475 5.311 6.394 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.402 5.669 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.014 5.503 8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.048 6.773 8.146 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.037 8.301 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.754 7.632 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.712 6.535 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.986 6.034 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.699 8.766 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.153 7.213 10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.844 8.496 9.758 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.756 7.904 5.713 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.990 9.143 4.982 1.00 0.00 C ATOM 1385 C TYR A 82 -3.142 9.929 5.600 1.00 0.00 C ATOM 1386 O TYR A 82 -4.130 9.349 6.049 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.291 8.846 3.512 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.263 7.706 3.311 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.879 6.392 3.545 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.563 7.944 2.884 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.764 5.347 3.360 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.454 6.904 2.697 1.00 0.00 C ATOM 1393 CZ TYR A 82 -5.050 5.608 2.936 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.934 4.570 2.750 1.00 0.00 O ATOM 0 H TYR A 82 -2.604 7.431 6.025 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.085 9.748 5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.695 9.744 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.358 8.612 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.873 6.184 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.883 8.958 2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.450 4.331 3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.462 7.106 2.365 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.797 4.925 2.451 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.010 11.251 5.617 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.041 12.113 6.179 1.00 0.00 C ATOM 1406 C ALA A 83 -5.266 12.166 5.271 1.00 0.00 C ATOM 1407 O ALA A 83 -5.176 12.588 4.118 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.492 13.512 6.412 1.00 0.00 C ATOM 0 H ALA A 83 -2.199 11.748 5.248 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.349 11.693 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.274 14.144 6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.653 13.463 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.155 13.933 5.465 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.408 11.737 5.797 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.649 11.737 5.030 1.00 0.00 C ATOM 1416 C ASN A 84 -8.449 13.013 5.286 1.00 0.00 C ATOM 1417 O ASN A 84 -8.960 13.635 4.355 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.489 10.502 5.377 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.224 10.638 6.699 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.349 11.139 6.748 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.593 10.193 7.777 1.00 0.00 N ATOM 0 H ASN A 84 -6.500 11.385 6.750 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.395 11.703 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.213 10.326 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.840 9.627 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.039 10.259 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.662 9.785 7.691 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.554 13.393 6.556 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.291 14.590 6.938 1.00 0.00 C ATOM 1430 C GLU A 85 -8.406 15.546 7.734 1.00 0.00 C ATOM 1431 O GLU A 85 -8.447 16.759 7.531 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.524 14.214 7.762 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.653 13.624 6.932 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.616 14.679 6.424 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.152 15.640 5.773 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.831 14.545 6.676 1.00 0.00 O ATOM 0 H GLU A 85 -8.137 12.888 7.338 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.611 15.094 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.233 13.495 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.890 15.101 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.232 13.084 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.200 12.898 7.533 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.606 14.991 8.638 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.724 15.806 9.448 1.00 0.00 C ATOM 1445 C GLY A 86 -5.409 15.117 9.749 1.00 0.00 C ATOM 1446 O GLY A 86 -4.508 15.090 8.910 1.00 0.00 O ATOM 0 H GLY A 86 -7.554 13.989 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.528 16.746 8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.223 16.054 10.385 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.296 14.556 10.949 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.081 13.862 11.357 1.00 0.00 C ATOM 1452 C ILE A 87 -4.407 12.548 12.057 1.00 0.00 C ATOM 1453 O ILE A 87 -4.111 11.468 11.546 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.219 14.728 12.299 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.310 16.204 11.909 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.773 14.257 12.274 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.430 16.946 12.605 1.00 0.00 C ATOM 0 H ILE A 87 -6.032 14.569 11.655 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.517 13.660 10.446 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.602 14.620 13.314 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.363 16.692 12.141 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.451 16.278 10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.177 14.877 12.943 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.723 13.218 12.601 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.382 14.337 11.260 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.434 17.986 12.280 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.384 16.484 12.353 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.280 16.903 13.684 1.00 0.00 H new ATOM 1469 N SER A 88 -5.017 12.649 13.234 1.00 0.00 N ATOM 1470 CA SER A 88 -5.386 11.471 14.010 1.00 0.00 C ATOM 1471 C SER A 88 -6.306 10.553 13.211 1.00 0.00 C ATOM 1472 O SER A 88 -6.261 9.332 13.357 1.00 0.00 O ATOM 1473 CB SER A 88 -6.067 11.886 15.313 1.00 0.00 C ATOM 1474 OG SER A 88 -6.286 10.767 16.155 1.00 0.00 O ATOM 0 H SER A 88 -5.266 13.536 13.671 1.00 0.00 H new ATOM 0 HA SER A 88 -4.473 10.923 14.243 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.450 12.620 15.832 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.018 12.370 15.091 1.00 0.00 H new ATOM 0 HG SER A 88 -6.721 11.060 16.982 1.00 0.00 H new ATOM 1480 N SER A 89 -7.142 11.150 12.367 1.00 0.00 N ATOM 1481 CA SER A 89 -8.074 10.386 11.546 1.00 0.00 C ATOM 1482 C SER A 89 -7.357 9.712 10.378 1.00 0.00 C ATOM 1483 O SER A 89 -7.870 8.756 9.795 1.00 0.00 O ATOM 1484 CB SER A 89 -9.184 11.295 11.017 1.00 0.00 C ATOM 1485 OG SER A 89 -9.876 11.927 12.081 1.00 0.00 O ATOM 0 H SER A 89 -7.193 12.160 12.234 1.00 0.00 H new ATOM 0 HA SER A 89 -8.513 9.610 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.757 12.050 10.358 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.884 10.710 10.420 1.00 0.00 H new ATOM 0 HG SER A 89 -10.579 12.504 11.717 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.171 10.217 10.040 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.376 9.671 8.941 1.00 0.00 C ATOM 1493 C ALA A 90 -5.404 8.144 8.927 1.00 0.00 C ATOM 1494 O ALA A 90 -4.943 7.496 9.868 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.942 10.168 9.034 1.00 0.00 C ATOM 0 H ALA A 90 -5.738 11.009 10.515 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.819 10.019 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.360 9.755 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.930 11.256 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.507 9.849 9.981 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.947 7.580 7.854 1.00 0.00 N ATOM 1502 CA LYS A 91 -6.036 6.133 7.714 1.00 0.00 C ATOM 1503 C LYS A 91 -4.727 5.562 7.179 1.00 0.00 C ATOM 1504 O LYS A 91 -3.761 6.295 6.965 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.188 5.760 6.781 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.523 6.362 7.192 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.996 5.812 8.528 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.089 4.771 8.346 1.00 0.00 C ATOM 1509 NZ LYS A 91 -11.048 4.769 9.485 1.00 0.00 N ATOM 0 H LYS A 91 -6.332 8.104 7.068 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.225 5.706 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.947 6.088 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.282 4.675 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.430 7.446 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.269 6.151 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.154 5.368 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.369 6.628 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.627 4.968 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.638 3.784 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.778 4.046 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.539 4.556 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.498 5.704 9.562 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.701 4.253 6.966 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.508 3.587 6.457 1.00 0.00 C ATOM 1525 C ASN A 92 -3.856 2.638 5.315 1.00 0.00 C ATOM 1526 O ASN A 92 -5.018 2.283 5.121 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.797 2.819 7.576 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.758 2.257 8.610 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.752 1.506 8.149 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.608 2.497 9.807 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.491 3.631 7.137 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.836 4.356 6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.221 2.002 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.086 3.482 8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.830 3.079 10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.262 2.114 10.490 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.840 2.232 4.561 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.037 1.325 3.436 1.00 0.00 C ATOM 1539 C LEU A 93 -2.153 0.089 3.573 1.00 0.00 C ATOM 1540 O LEU A 93 -0.927 0.189 3.576 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.732 2.041 2.116 1.00 0.00 C ATOM 1542 CG LEU A 93 -3.819 1.916 1.045 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.077 3.264 0.387 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.423 0.879 0.004 1.00 0.00 C ATOM 0 H LEU A 93 -1.872 2.517 4.709 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.079 1.007 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.567 3.098 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.799 1.646 1.713 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.741 1.587 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.852 3.156 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.404 3.980 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.160 3.622 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.207 0.803 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.490 1.179 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.289 -0.089 0.487 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.784 -1.076 3.682 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.050 -2.329 3.814 1.00 0.00 C ATOM 1558 C LEU A 94 -1.859 -2.981 2.450 1.00 0.00 C ATOM 1559 O LEU A 94 -2.829 -3.256 1.744 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.792 -3.283 4.753 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.685 -2.942 6.242 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.301 -3.285 6.769 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.999 -1.472 6.476 1.00 0.00 C ATOM 0 H LEU A 94 -3.799 -1.178 3.682 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.069 -2.111 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.846 -3.296 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.408 -4.292 4.599 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.416 -3.539 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.243 -3.036 7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.115 -4.351 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.551 -2.715 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.918 -1.247 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.292 -0.856 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.012 -1.258 6.136 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.606 -3.220 2.084 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.294 -3.832 0.801 1.00 0.00 C ATOM 1577 C LEU A 95 0.655 -5.015 0.968 1.00 0.00 C ATOM 1578 O LEU A 95 1.788 -4.857 1.422 1.00 0.00 O ATOM 1579 CB LEU A 95 0.321 -2.789 -0.133 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.548 -1.554 -0.383 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.082 -0.666 -1.441 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.956 -1.963 -0.798 1.00 0.00 C ATOM 0 H LEU A 95 0.209 -2.999 2.657 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.221 -4.206 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.274 -2.466 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.537 -3.263 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.616 -0.989 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.549 0.207 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.067 -0.343 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.181 -1.224 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.558 -1.071 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.909 -2.552 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.410 -2.559 -0.006 1.00 0.00 H new ATOM 1594 N LEU A 96 0.181 -6.199 0.592 1.00 0.00 N ATOM 1595 CA LEU A 96 0.980 -7.413 0.693 1.00 0.00 C ATOM 1596 C LEU A 96 1.764 -7.645 -0.596 1.00 0.00 C ATOM 1597 O LEU A 96 1.204 -7.607 -1.691 1.00 0.00 O ATOM 1598 CB LEU A 96 0.075 -8.616 0.988 1.00 0.00 C ATOM 1599 CG LEU A 96 0.717 -9.995 0.802 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.561 -10.361 2.011 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.352 -11.050 0.558 1.00 0.00 C ATOM 0 H LEU A 96 -0.755 -6.342 0.214 1.00 0.00 H new ATOM 0 HA LEU A 96 1.689 -7.296 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.279 -8.537 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.801 -8.554 0.343 1.00 0.00 H new ATOM 0 HG LEU A 96 1.369 -9.955 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.008 -11.343 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.350 -9.620 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.932 -10.382 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.121 -12.024 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.029 -11.086 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.915 -10.797 -0.341 1.00 0.00 H new ATOM 1613 N ALA A 97 3.064 -7.884 -0.457 1.00 0.00 N ATOM 1614 CA ALA A 97 3.924 -8.119 -1.611 1.00 0.00 C ATOM 1615 C ALA A 97 4.229 -9.604 -1.774 1.00 0.00 C ATOM 1616 O ALA A 97 4.486 -10.308 -0.796 1.00 0.00 O ATOM 1617 CB ALA A 97 5.214 -7.322 -1.478 1.00 0.00 C ATOM 0 H ALA A 97 3.544 -7.920 0.442 1.00 0.00 H new ATOM 0 HA ALA A 97 3.395 -7.785 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.847 -7.507 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.980 -6.259 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.740 -7.629 -0.574 1.00 0.00 H new ATOM 1623 N ASN A 98 4.201 -10.075 -3.016 1.00 0.00 N ATOM 1624 CA ASN A 98 4.477 -11.476 -3.310 1.00 0.00 C ATOM 1625 C ASN A 98 5.851 -11.885 -2.787 1.00 0.00 C ATOM 1626 O ASN A 98 6.094 -13.058 -2.502 1.00 0.00 O ATOM 1627 CB ASN A 98 4.398 -11.727 -4.817 1.00 0.00 C ATOM 1628 CG ASN A 98 5.178 -10.701 -5.616 1.00 0.00 C ATOM 1629 OD1 ASN A 98 4.492 -9.661 -6.075 1.00 0.00 O flip ATOM 1630 ND2 ASN A 98 6.385 -10.841 -5.818 1.00 0.00 N flip ATOM 0 H ASN A 98 3.990 -9.506 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 98 3.723 -12.081 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.782 -12.723 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.354 -11.711 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.873 -11.656 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.896 -10.142 -6.357 1.00 0.00 H new ATOM 1637 N SER A 99 6.748 -10.911 -2.663 1.00 0.00 N ATOM 1638 CA SER A 99 8.097 -11.171 -2.172 1.00 0.00 C ATOM 1639 C SER A 99 8.545 -10.078 -1.209 1.00 0.00 C ATOM 1640 O SER A 99 8.170 -8.915 -1.355 1.00 0.00 O ATOM 1641 CB SER A 99 9.077 -11.268 -3.344 1.00 0.00 C ATOM 1642 OG SER A 99 8.792 -12.395 -4.155 1.00 0.00 O ATOM 0 H SER A 99 6.565 -9.935 -2.896 1.00 0.00 H new ATOM 0 HA SER A 99 8.086 -12.120 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.021 -10.360 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.097 -11.337 -2.965 1.00 0.00 H new ATOM 0 HG SER A 99 9.431 -12.434 -4.897 1.00 0.00 H new ATOM 1648 N THR A 100 9.348 -10.460 -0.222 1.00 0.00 N ATOM 1649 CA THR A 100 9.850 -9.513 0.770 1.00 0.00 C ATOM 1650 C THR A 100 10.574 -8.351 0.100 1.00 0.00 C ATOM 1651 O THR A 100 10.372 -7.190 0.458 1.00 0.00 O ATOM 1652 CB THR A 100 10.792 -10.217 1.746 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.427 -11.577 1.904 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.814 -9.584 3.120 1.00 0.00 C ATOM 0 H THR A 100 9.666 -11.420 -0.086 1.00 0.00 H new ATOM 0 HA THR A 100 8.996 -9.117 1.319 1.00 0.00 H new ATOM 0 HB THR A 100 11.785 -10.124 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.043 -12.010 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.503 -10.133 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.142 -8.548 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.813 -9.615 3.551 1.00 0.00 H new ATOM 1662 N GLU A 101 11.422 -8.672 -0.873 1.00 0.00 N ATOM 1663 CA GLU A 101 12.183 -7.657 -1.594 1.00 0.00 C ATOM 1664 C GLU A 101 11.264 -6.574 -2.154 1.00 0.00 C ATOM 1665 O GLU A 101 11.599 -5.390 -2.133 1.00 0.00 O ATOM 1666 CB GLU A 101 12.981 -8.303 -2.728 1.00 0.00 C ATOM 1667 CG GLU A 101 13.768 -9.530 -2.296 1.00 0.00 C ATOM 1668 CD GLU A 101 14.897 -9.864 -3.252 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.623 -10.022 -4.460 1.00 0.00 O ATOM 1670 OE2 GLU A 101 16.052 -9.969 -2.793 1.00 0.00 O ATOM 0 H GLU A 101 11.599 -9.628 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 101 12.872 -7.189 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.297 -8.584 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.670 -7.567 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.178 -9.362 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.093 -10.383 -2.224 1.00 0.00 H new ATOM 1677 N GLU A 102 10.104 -6.989 -2.654 1.00 0.00 N ATOM 1678 CA GLU A 102 9.136 -6.053 -3.219 1.00 0.00 C ATOM 1679 C GLU A 102 8.705 -5.024 -2.179 1.00 0.00 C ATOM 1680 O GLU A 102 8.591 -3.835 -2.477 1.00 0.00 O ATOM 1681 CB GLU A 102 7.915 -6.807 -3.745 1.00 0.00 C ATOM 1682 CG GLU A 102 7.259 -6.142 -4.944 1.00 0.00 C ATOM 1683 CD GLU A 102 7.545 -6.869 -6.244 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.726 -8.104 -6.206 1.00 0.00 O ATOM 1685 OE2 GLU A 102 7.587 -6.203 -7.300 1.00 0.00 O ATOM 0 H GLU A 102 9.811 -7.966 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 102 9.614 -5.528 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.214 -7.819 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.181 -6.898 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.181 -6.099 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.611 -5.114 -5.022 1.00 0.00 H new ATOM 1692 N GLN A 103 8.466 -5.489 -0.958 1.00 0.00 N ATOM 1693 CA GLN A 103 8.047 -4.610 0.127 1.00 0.00 C ATOM 1694 C GLN A 103 9.131 -3.582 0.444 1.00 0.00 C ATOM 1695 O GLN A 103 8.833 -2.440 0.793 1.00 0.00 O ATOM 1696 CB GLN A 103 7.717 -5.432 1.377 1.00 0.00 C ATOM 1697 CG GLN A 103 7.493 -4.592 2.627 1.00 0.00 C ATOM 1698 CD GLN A 103 8.660 -4.663 3.593 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.215 -5.734 3.836 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.038 -3.519 4.150 1.00 0.00 N ATOM 0 H GLN A 103 8.555 -6.470 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 103 7.152 -4.076 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.823 -6.025 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.530 -6.134 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.328 -3.554 2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.588 -4.931 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.549 -2.654 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.817 -3.505 4.808 1.00 0.00 H new ATOM 1709 N GLN A 104 10.389 -3.992 0.320 1.00 0.00 N ATOM 1710 CA GLN A 104 11.512 -3.101 0.597 1.00 0.00 C ATOM 1711 C GLN A 104 11.615 -2.017 -0.472 1.00 0.00 C ATOM 1712 O GLN A 104 11.889 -0.856 -0.169 1.00 0.00 O ATOM 1713 CB GLN A 104 12.830 -3.880 0.670 1.00 0.00 C ATOM 1714 CG GLN A 104 12.685 -5.314 1.162 1.00 0.00 C ATOM 1715 CD GLN A 104 11.839 -5.425 2.414 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.551 -4.427 3.075 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.437 -6.647 2.746 1.00 0.00 N ATOM 0 H GLN A 104 10.657 -4.933 0.030 1.00 0.00 H new ATOM 0 HA GLN A 104 11.330 -2.633 1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.286 -3.892 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.516 -3.349 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.239 -5.920 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.674 -5.727 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.700 -7.445 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.865 -6.787 3.579 1.00 0.00 H new ATOM 1726 N LYS A 105 11.396 -2.407 -1.723 1.00 0.00 N ATOM 1727 CA LYS A 105 11.467 -1.471 -2.839 1.00 0.00 C ATOM 1728 C LYS A 105 10.256 -0.544 -2.855 1.00 0.00 C ATOM 1729 O LYS A 105 10.397 0.674 -2.966 1.00 0.00 O ATOM 1730 CB LYS A 105 11.560 -2.233 -4.165 1.00 0.00 C ATOM 1731 CG LYS A 105 11.466 -1.340 -5.393 1.00 0.00 C ATOM 1732 CD LYS A 105 11.600 -2.141 -6.677 1.00 0.00 C ATOM 1733 CE LYS A 105 10.297 -2.839 -7.037 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.530 -4.198 -7.596 1.00 0.00 N ATOM 0 H LYS A 105 11.168 -3.365 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 105 12.362 -0.863 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.503 -2.778 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.762 -2.974 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.511 -0.814 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.248 -0.582 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.896 -1.479 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.392 -2.882 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.669 -2.915 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.751 -2.237 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.617 -4.639 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.108 -4.125 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.028 -4.782 -6.894 1.00 0.00 H new ATOM 1748 N TRP A 106 9.066 -1.127 -2.753 1.00 0.00 N ATOM 1749 CA TRP A 106 7.833 -0.348 -2.767 1.00 0.00 C ATOM 1750 C TRP A 106 7.842 0.724 -1.682 1.00 0.00 C ATOM 1751 O TRP A 106 7.581 1.897 -1.950 1.00 0.00 O ATOM 1752 CB TRP A 106 6.625 -1.260 -2.581 1.00 0.00 C ATOM 1753 CG TRP A 106 5.919 -1.548 -3.864 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.189 -2.562 -4.728 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.840 -0.805 -4.440 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.329 -2.512 -5.801 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.493 -1.440 -5.647 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.127 0.331 -4.050 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.469 -0.978 -6.465 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.110 0.788 -4.867 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.789 0.134 -6.060 1.00 0.00 C ATOM 0 H TRP A 106 8.929 -2.134 -2.660 1.00 0.00 H new ATOM 0 HA TRP A 106 7.765 0.146 -3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.949 -2.198 -2.131 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.928 -0.795 -1.884 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.966 -3.300 -4.592 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.317 -3.167 -6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.365 0.842 -3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.220 -1.481 -7.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.553 1.667 -4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.987 0.516 -6.674 1.00 0.00 H new ATOM 1772 N VAL A 107 8.139 0.309 -0.455 1.00 0.00 N ATOM 1773 CA VAL A 107 8.174 1.225 0.679 1.00 0.00 C ATOM 1774 C VAL A 107 9.309 2.236 0.545 1.00 0.00 C ATOM 1775 O VAL A 107 9.103 3.437 0.721 1.00 0.00 O ATOM 1776 CB VAL A 107 8.337 0.459 2.007 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.263 1.411 3.191 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.281 -0.630 2.125 1.00 0.00 C ATOM 0 H VAL A 107 8.360 -0.659 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 107 7.223 1.758 0.684 1.00 0.00 H new ATOM 0 HB VAL A 107 9.320 -0.012 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.380 0.849 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.059 2.152 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.297 1.915 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.410 -1.161 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.289 -0.180 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.387 -1.330 1.297 1.00 0.00 H new ATOM 1788 N SER A 108 10.506 1.745 0.242 1.00 0.00 N ATOM 1789 CA SER A 108 11.672 2.609 0.095 1.00 0.00 C ATOM 1790 C SER A 108 11.474 3.625 -1.025 1.00 0.00 C ATOM 1791 O SER A 108 11.911 4.771 -0.918 1.00 0.00 O ATOM 1792 CB SER A 108 12.920 1.768 -0.181 1.00 0.00 C ATOM 1793 OG SER A 108 14.095 2.554 -0.083 1.00 0.00 O ATOM 0 H SER A 108 10.694 0.754 0.093 1.00 0.00 H new ATOM 0 HA SER A 108 11.802 3.155 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.971 0.942 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.854 1.329 -1.177 1.00 0.00 H new ATOM 0 HG SER A 108 14.879 1.994 -0.262 1.00 0.00 H new ATOM 1799 N ARG A 109 10.820 3.202 -2.100 1.00 0.00 N ATOM 1800 CA ARG A 109 10.573 4.082 -3.237 1.00 0.00 C ATOM 1801 C ARG A 109 9.462 5.082 -2.931 1.00 0.00 C ATOM 1802 O ARG A 109 9.642 6.293 -3.073 1.00 0.00 O ATOM 1803 CB ARG A 109 10.214 3.260 -4.475 1.00 0.00 C ATOM 1804 CG ARG A 109 11.426 2.762 -5.245 1.00 0.00 C ATOM 1805 CD ARG A 109 12.041 3.864 -6.091 1.00 0.00 C ATOM 1806 NE ARG A 109 13.501 3.835 -6.052 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.240 2.880 -6.613 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.659 1.876 -7.258 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.563 2.928 -6.530 1.00 0.00 N ATOM 0 H ARG A 109 10.452 2.257 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 109 11.488 4.642 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.610 2.405 -4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.597 3.867 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.170 2.380 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.134 1.930 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.704 3.760 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.688 4.833 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 109 13.983 4.591 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.642 1.834 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.229 1.147 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 109 16.015 3.697 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.128 2.196 -6.960 1.00 0.00 H new ATOM 1823 N LEU A 110 8.309 4.567 -2.517 1.00 0.00 N ATOM 1824 CA LEU A 110 7.165 5.413 -2.199 1.00 0.00 C ATOM 1825 C LEU A 110 7.495 6.388 -1.071 1.00 0.00 C ATOM 1826 O LEU A 110 7.070 7.542 -1.094 1.00 0.00 O ATOM 1827 CB LEU A 110 5.954 4.553 -1.823 1.00 0.00 C ATOM 1828 CG LEU A 110 5.945 4.025 -0.387 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.338 5.055 0.552 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.182 2.712 -0.308 1.00 0.00 C ATOM 0 H LEU A 110 8.142 3.568 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 110 6.921 5.996 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.049 5.140 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.907 3.704 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 110 6.974 3.842 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.339 4.665 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.926 5.972 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.314 5.268 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.185 2.350 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.154 2.868 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.659 1.975 -0.953 1.00 0.00 H new ATOM 1842 N VAL A 111 8.256 5.918 -0.086 1.00 0.00 N ATOM 1843 CA VAL A 111 8.637 6.759 1.043 1.00 0.00 C ATOM 1844 C VAL A 111 9.637 7.823 0.610 1.00 0.00 C ATOM 1845 O VAL A 111 9.548 8.979 1.024 1.00 0.00 O ATOM 1846 CB VAL A 111 9.232 5.927 2.198 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.618 5.407 1.844 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.273 6.748 3.477 1.00 0.00 C ATOM 0 H VAL A 111 8.619 4.965 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 111 7.730 7.244 1.403 1.00 0.00 H new ATOM 0 HB VAL A 111 8.586 5.064 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.012 4.824 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.554 4.776 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.282 6.248 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.695 6.147 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.891 7.632 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.262 7.055 3.745 1.00 0.00 H new ATOM 1858 N LYS A 112 10.583 7.427 -0.237 1.00 0.00 N ATOM 1859 CA LYS A 112 11.591 8.351 -0.736 1.00 0.00 C ATOM 1860 C LYS A 112 10.929 9.488 -1.506 1.00 0.00 C ATOM 1861 O LYS A 112 11.430 10.612 -1.532 1.00 0.00 O ATOM 1862 CB LYS A 112 12.589 7.619 -1.636 1.00 0.00 C ATOM 1863 CG LYS A 112 13.818 7.114 -0.896 1.00 0.00 C ATOM 1864 CD LYS A 112 14.964 6.832 -1.853 1.00 0.00 C ATOM 1865 CE LYS A 112 16.204 6.360 -1.111 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.094 4.933 -0.697 1.00 0.00 N ATOM 0 H LYS A 112 10.671 6.474 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 112 12.129 8.768 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.088 6.775 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.906 8.290 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.131 7.854 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.567 6.206 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.659 6.074 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.198 7.734 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.079 6.487 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.359 6.983 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.959 4.650 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.274 4.816 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.972 4.336 -1.539 1.00 0.00 H new ATOM 1880 N LYS A 113 9.792 9.184 -2.128 1.00 0.00 N ATOM 1881 CA LYS A 113 9.051 10.179 -2.893 1.00 0.00 C ATOM 1882 C LYS A 113 8.434 11.227 -1.969 1.00 0.00 C ATOM 1883 O LYS A 113 8.187 12.361 -2.378 1.00 0.00 O ATOM 1884 CB LYS A 113 7.955 9.507 -3.721 1.00 0.00 C ATOM 1885 CG LYS A 113 8.469 8.402 -4.631 1.00 0.00 C ATOM 1886 CD LYS A 113 8.436 8.817 -6.093 1.00 0.00 C ATOM 1887 CE LYS A 113 7.174 8.327 -6.784 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.378 8.139 -8.247 1.00 0.00 N ATOM 0 H LYS A 113 9.366 8.257 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 113 9.750 10.677 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.206 9.092 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.455 10.262 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.490 8.144 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.864 7.506 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.493 9.903 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.311 8.417 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.859 7.384 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.369 9.043 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.588 7.588 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.419 9.067 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.270 7.630 -8.411 1.00 0.00 H new ATOM 1902 N ILE A 114 8.190 10.838 -0.719 1.00 0.00 N ATOM 1903 CA ILE A 114 7.604 11.742 0.265 1.00 0.00 C ATOM 1904 C ILE A 114 8.460 12.996 0.432 1.00 0.00 C ATOM 1905 O ILE A 114 9.687 12.914 0.492 1.00 0.00 O ATOM 1906 CB ILE A 114 7.443 11.050 1.634 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.644 9.754 1.485 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.767 11.983 2.630 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.409 9.033 2.795 1.00 0.00 C ATOM 0 H ILE A 114 8.390 9.902 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 114 6.619 12.026 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 114 8.434 10.804 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.681 9.981 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.172 9.088 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.662 11.477 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.373 12.880 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.781 12.261 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.837 8.124 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.367 8.774 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.853 9.681 3.473 1.00 0.00 H new ATOM 1921 N PRO A 115 7.825 14.180 0.512 1.00 0.00 N ATOM 1922 CA PRO A 115 8.543 15.449 0.674 1.00 0.00 C ATOM 1923 C PRO A 115 9.223 15.561 2.034 1.00 0.00 C ATOM 1924 O PRO A 115 10.384 15.962 2.126 1.00 0.00 O ATOM 1925 CB PRO A 115 7.441 16.505 0.538 1.00 0.00 C ATOM 1926 CG PRO A 115 6.185 15.795 0.906 1.00 0.00 C ATOM 1927 CD PRO A 115 6.364 14.375 0.451 1.00 0.00 C ATOM 0 HA PRO A 115 9.346 15.557 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.623 17.354 1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.391 16.896 -0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.011 15.841 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.322 16.254 0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.837 13.675 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.980 14.225 -0.558 1.00 0.00 H new