USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 67 GLN : amide:sc= -2.15 K(o=-2.1,f=-10!) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.0608 K(o=-2.1,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.319 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.6!) USER MOD Single : A 18 THR OG1 : rot -95:sc= 1.24 USER MOD Single : A 19 THR OG1 : rot 58:sc= 1.14 USER MOD Single : A 20 SER OG : rot -43:sc= -1.9! USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-4.7!) USER MOD Single : A 32 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 173:sc= -0.462 USER MOD Single : A 39 ASN : amide:sc= -0.0998 K(o=-0.1,f=-1) USER MOD Single : A 40 CYS SG : rot -104:sc= -2.62 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.997 K(o=-1,f=-4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.19) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 68 GLN : amide:sc= -0.651 K(o=-0.65,f=-0.12) USER MOD Single : A 69 THR OG1 : rot -90:sc= -0.0584 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.0051) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.8!) USER MOD Single : A 97 ASN : amide:sc= -0.077 X(o=-0.077,f=-0.077) USER MOD Single : A 98 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.162 -1.710 -11.917 1.00 0.00 N ATOM 2 CA GLY A 1 33.362 -0.500 -11.911 1.00 0.00 C ATOM 3 C GLY A 1 32.106 -0.639 -11.074 1.00 0.00 C ATOM 4 O GLY A 1 31.340 -1.587 -11.245 1.00 0.00 O ATOM 0 H1 GLY A 1 35.009 -1.563 -12.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.449 -1.941 -10.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.602 -2.494 -12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.961 0.326 -11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.086 -0.245 -12.934 1.00 0.00 H new ATOM 8 N SER A 2 31.895 0.308 -10.165 1.00 0.00 N ATOM 9 CA SER A 2 30.726 0.283 -9.293 1.00 0.00 C ATOM 10 C SER A 2 29.665 1.265 -9.780 1.00 0.00 C ATOM 11 O SER A 2 29.955 2.435 -10.033 1.00 0.00 O ATOM 12 CB SER A 2 31.128 0.620 -7.856 1.00 0.00 C ATOM 13 OG SER A 2 31.512 1.979 -7.739 1.00 0.00 O ATOM 0 H SER A 2 32.518 1.101 -10.013 1.00 0.00 H new ATOM 0 HA SER A 2 30.305 -0.722 -9.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.294 0.415 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.952 -0.022 -7.546 1.00 0.00 H new ATOM 0 HG SER A 2 31.092 2.500 -8.455 1.00 0.00 H new ATOM 19 N SER A 3 28.434 0.781 -9.910 1.00 0.00 N ATOM 20 CA SER A 3 27.329 1.613 -10.370 1.00 0.00 C ATOM 21 C SER A 3 27.307 2.946 -9.627 1.00 0.00 C ATOM 22 O SER A 3 27.188 4.008 -10.237 1.00 0.00 O ATOM 23 CB SER A 3 25.998 0.885 -10.174 1.00 0.00 C ATOM 24 OG SER A 3 25.047 1.292 -11.143 1.00 0.00 O ATOM 0 H SER A 3 28.177 -0.184 -9.703 1.00 0.00 H new ATOM 0 HA SER A 3 27.473 1.811 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.155 -0.191 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.613 1.087 -9.175 1.00 0.00 H new ATOM 0 HG SER A 3 24.205 0.811 -10.998 1.00 0.00 H new ATOM 30 N GLY A 4 27.423 2.881 -8.304 1.00 0.00 N ATOM 31 CA GLY A 4 27.414 4.088 -7.499 1.00 0.00 C ATOM 32 C GLY A 4 26.758 3.879 -6.148 1.00 0.00 C ATOM 33 O GLY A 4 26.051 2.893 -5.940 1.00 0.00 O ATOM 0 H GLY A 4 27.523 2.014 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.438 4.431 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.887 4.876 -8.037 1.00 0.00 H new ATOM 37 N SER A 5 26.993 4.808 -5.227 1.00 0.00 N ATOM 38 CA SER A 5 26.424 4.718 -3.888 1.00 0.00 C ATOM 39 C SER A 5 25.864 6.066 -3.444 1.00 0.00 C ATOM 40 O SER A 5 26.613 6.969 -3.071 1.00 0.00 O ATOM 41 CB SER A 5 27.483 4.240 -2.892 1.00 0.00 C ATOM 42 OG SER A 5 26.881 3.669 -1.743 1.00 0.00 O ATOM 0 H SER A 5 27.574 5.632 -5.384 1.00 0.00 H new ATOM 0 HA SER A 5 25.608 3.996 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.131 3.505 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.114 5.078 -2.597 1.00 0.00 H new ATOM 0 HG SER A 5 27.578 3.370 -1.123 1.00 0.00 H new ATOM 48 N SER A 6 24.542 6.194 -3.487 1.00 0.00 N ATOM 49 CA SER A 6 23.880 7.432 -3.093 1.00 0.00 C ATOM 50 C SER A 6 22.924 7.190 -1.929 1.00 0.00 C ATOM 51 O SER A 6 22.328 6.120 -1.811 1.00 0.00 O ATOM 52 CB SER A 6 23.118 8.027 -4.278 1.00 0.00 C ATOM 53 OG SER A 6 24.011 8.510 -5.268 1.00 0.00 O ATOM 0 H SER A 6 23.908 5.455 -3.791 1.00 0.00 H new ATOM 0 HA SER A 6 24.646 8.138 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.465 7.270 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.479 8.840 -3.932 1.00 0.00 H new ATOM 0 HG SER A 6 23.499 8.884 -6.016 1.00 0.00 H new ATOM 59 N GLY A 7 22.782 8.195 -1.069 1.00 0.00 N ATOM 60 CA GLY A 7 21.898 8.073 0.075 1.00 0.00 C ATOM 61 C GLY A 7 21.927 6.686 0.686 1.00 0.00 C ATOM 62 O GLY A 7 20.916 5.984 0.698 1.00 0.00 O ATOM 0 H GLY A 7 23.264 9.091 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.183 8.805 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.879 8.311 -0.230 1.00 0.00 H new ATOM 66 N TYR A 8 23.089 6.288 1.192 1.00 0.00 N ATOM 67 CA TYR A 8 23.248 4.974 1.803 1.00 0.00 C ATOM 68 C TYR A 8 22.038 4.625 2.665 1.00 0.00 C ATOM 69 O TYR A 8 21.476 3.535 2.554 1.00 0.00 O ATOM 70 CB TYR A 8 24.521 4.932 2.649 1.00 0.00 C ATOM 71 CG TYR A 8 24.746 6.184 3.467 1.00 0.00 C ATOM 72 CD1 TYR A 8 25.329 7.311 2.902 1.00 0.00 C ATOM 73 CD2 TYR A 8 24.374 6.239 4.805 1.00 0.00 C ATOM 74 CE1 TYR A 8 25.537 8.456 3.646 1.00 0.00 C ATOM 75 CE2 TYR A 8 24.577 7.380 5.556 1.00 0.00 C ATOM 76 CZ TYR A 8 25.159 8.486 4.973 1.00 0.00 C ATOM 77 OH TYR A 8 25.364 9.626 5.717 1.00 0.00 O ATOM 0 H TYR A 8 23.935 6.857 1.191 1.00 0.00 H new ATOM 0 HA TYR A 8 23.327 4.237 1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 8 24.474 4.074 3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.378 4.777 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 8 25.625 7.292 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.918 5.375 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 8 25.993 9.323 3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.282 7.406 6.594 1.00 0.00 H new ATOM 0 HH TYR A 8 25.041 9.482 6.631 1.00 0.00 H new ATOM 87 N ARG A 9 21.643 5.559 3.524 1.00 0.00 N ATOM 88 CA ARG A 9 20.501 5.351 4.406 1.00 0.00 C ATOM 89 C ARG A 9 19.206 5.796 3.733 1.00 0.00 C ATOM 90 O ARG A 9 18.191 5.104 3.800 1.00 0.00 O ATOM 91 CB ARG A 9 20.696 6.116 5.717 1.00 0.00 C ATOM 92 CG ARG A 9 20.675 7.626 5.550 1.00 0.00 C ATOM 93 CD ARG A 9 21.366 8.325 6.710 1.00 0.00 C ATOM 94 NE ARG A 9 20.505 8.418 7.885 1.00 0.00 N ATOM 95 CZ ARG A 9 20.650 9.339 8.831 1.00 0.00 C ATOM 96 NH1 ARG A 9 21.616 10.242 8.740 1.00 0.00 N ATOM 97 NH2 ARG A 9 19.826 9.359 9.871 1.00 0.00 N ATOM 0 H ARG A 9 22.097 6.467 3.628 1.00 0.00 H new ATOM 0 HA ARG A 9 20.430 4.285 4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 9 19.913 5.826 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.647 5.821 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.167 7.897 4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 9 19.643 7.971 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.276 7.783 6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.668 9.326 6.402 1.00 0.00 H new ATOM 0 HE ARG A 9 19.751 7.739 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.251 10.231 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.725 10.948 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.081 8.667 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.938 10.067 10.597 1.00 0.00 H new ATOM 111 N ALA A 10 19.250 6.956 3.085 1.00 0.00 N ATOM 112 CA ALA A 10 18.082 7.492 2.399 1.00 0.00 C ATOM 113 C ALA A 10 17.326 6.393 1.660 1.00 0.00 C ATOM 114 O ALA A 10 16.127 6.201 1.868 1.00 0.00 O ATOM 115 CB ALA A 10 18.496 8.592 1.433 1.00 0.00 C ATOM 0 H ALA A 10 20.082 7.542 3.021 1.00 0.00 H new ATOM 0 HA ALA A 10 17.414 7.915 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.613 8.983 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.985 9.395 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.187 8.186 0.694 1.00 0.00 H new ATOM 121 N THR A 11 18.034 5.673 0.796 1.00 0.00 N ATOM 122 CA THR A 11 17.430 4.594 0.025 1.00 0.00 C ATOM 123 C THR A 11 16.738 3.587 0.936 1.00 0.00 C ATOM 124 O THR A 11 15.595 3.197 0.695 1.00 0.00 O ATOM 125 CB THR A 11 18.479 3.859 -0.831 1.00 0.00 C ATOM 126 OG1 THR A 11 17.865 2.773 -1.533 1.00 0.00 O ATOM 127 CG2 THR A 11 19.612 3.332 0.037 1.00 0.00 C ATOM 0 H THR A 11 19.027 5.818 0.613 1.00 0.00 H new ATOM 0 HA THR A 11 16.691 5.052 -0.633 1.00 0.00 H new ATOM 0 HB THR A 11 18.891 4.568 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.538 2.312 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.341 2.817 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.096 4.164 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.212 2.637 0.775 1.00 0.00 H new ATOM 135 N LYS A 12 17.437 3.168 1.986 1.00 0.00 N ATOM 136 CA LYS A 12 16.890 2.207 2.936 1.00 0.00 C ATOM 137 C LYS A 12 15.431 2.522 3.248 1.00 0.00 C ATOM 138 O LYS A 12 14.636 1.622 3.524 1.00 0.00 O ATOM 139 CB LYS A 12 17.712 2.212 4.227 1.00 0.00 C ATOM 140 CG LYS A 12 19.188 1.929 4.010 1.00 0.00 C ATOM 141 CD LYS A 12 19.421 0.498 3.556 1.00 0.00 C ATOM 142 CE LYS A 12 20.719 0.365 2.774 1.00 0.00 C ATOM 143 NZ LYS A 12 21.243 -1.028 2.801 1.00 0.00 N ATOM 0 H LYS A 12 18.384 3.480 2.200 1.00 0.00 H new ATOM 0 HA LYS A 12 16.941 1.216 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.604 3.182 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.304 1.467 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.585 2.617 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.734 2.111 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.449 -0.160 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.586 0.172 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.553 0.671 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.465 1.042 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.128 -1.077 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.425 -1.311 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.542 -1.671 2.380 1.00 0.00 H new ATOM 157 N LEU A 13 15.083 3.803 3.202 1.00 0.00 N ATOM 158 CA LEU A 13 13.718 4.236 3.479 1.00 0.00 C ATOM 159 C LEU A 13 12.715 3.435 2.654 1.00 0.00 C ATOM 160 O LEU A 13 11.800 2.819 3.200 1.00 0.00 O ATOM 161 CB LEU A 13 13.565 5.729 3.180 1.00 0.00 C ATOM 162 CG LEU A 13 12.485 6.465 3.974 1.00 0.00 C ATOM 163 CD1 LEU A 13 11.117 5.858 3.704 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.802 6.432 5.462 1.00 0.00 C ATOM 0 H LEU A 13 15.728 4.560 2.975 1.00 0.00 H new ATOM 0 HA LEU A 13 13.514 4.061 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.522 6.217 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.350 5.846 2.118 1.00 0.00 H new ATOM 0 HG LEU A 13 12.468 7.506 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.361 6.395 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.888 5.935 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.120 4.809 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.023 6.960 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.847 5.397 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.763 6.915 5.640 1.00 0.00 H new ATOM 176 N TRP A 14 12.895 3.448 1.339 1.00 0.00 N ATOM 177 CA TRP A 14 12.007 2.720 0.439 1.00 0.00 C ATOM 178 C TRP A 14 11.904 1.254 0.844 1.00 0.00 C ATOM 179 O TRP A 14 10.807 0.722 1.008 1.00 0.00 O ATOM 180 CB TRP A 14 12.506 2.831 -1.003 1.00 0.00 C ATOM 181 CG TRP A 14 11.717 2.000 -1.969 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.028 0.749 -2.419 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.487 2.364 -2.607 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.066 0.312 -3.297 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.109 1.284 -3.429 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.668 3.495 -2.561 1.00 0.00 C ATOM 187 CZ2 TRP A 14 8.949 1.306 -4.198 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.517 3.515 -3.326 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.166 2.426 -4.135 1.00 0.00 C ATOM 0 H TRP A 14 13.647 3.954 0.872 1.00 0.00 H new ATOM 0 HA TRP A 14 11.015 3.166 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.466 3.875 -1.315 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.552 2.527 -1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.902 0.186 -2.127 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.064 -0.590 -3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.930 4.338 -1.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 8.677 0.468 -4.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.877 4.385 -3.300 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.259 2.472 -4.720 1.00 0.00 H new ATOM 200 N ASN A 15 13.053 0.606 1.003 1.00 0.00 N ATOM 201 CA ASN A 15 13.091 -0.800 1.388 1.00 0.00 C ATOM 202 C ASN A 15 12.311 -1.031 2.679 1.00 0.00 C ATOM 203 O ASN A 15 11.573 -2.008 2.802 1.00 0.00 O ATOM 204 CB ASN A 15 14.539 -1.263 1.564 1.00 0.00 C ATOM 205 CG ASN A 15 15.235 -1.502 0.238 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.586 -1.710 -0.787 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.562 -1.474 0.253 1.00 0.00 N ATOM 0 H ASN A 15 13.970 1.032 0.871 1.00 0.00 H new ATOM 0 HA ASN A 15 12.625 -1.382 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.091 -0.513 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.555 -2.182 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.085 -1.629 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.059 -1.298 1.126 1.00 0.00 H new ATOM 214 N GLU A 16 12.480 -0.125 3.637 1.00 0.00 N ATOM 215 CA GLU A 16 11.792 -0.231 4.918 1.00 0.00 C ATOM 216 C GLU A 16 10.278 -0.193 4.727 1.00 0.00 C ATOM 217 O GLU A 16 9.569 -1.123 5.112 1.00 0.00 O ATOM 218 CB GLU A 16 12.228 0.900 5.852 1.00 0.00 C ATOM 219 CG GLU A 16 13.420 0.543 6.724 1.00 0.00 C ATOM 220 CD GLU A 16 14.723 0.519 5.949 1.00 0.00 C ATOM 221 OE1 GLU A 16 14.828 -0.270 4.988 1.00 0.00 O ATOM 222 OE2 GLU A 16 15.638 1.291 6.305 1.00 0.00 O ATOM 0 H GLU A 16 13.087 0.690 3.550 1.00 0.00 H new ATOM 0 HA GLU A 16 12.061 -1.187 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.475 1.778 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.390 1.175 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.499 1.264 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.254 -0.434 7.178 1.00 0.00 H new ATOM 229 N VAL A 17 9.790 0.890 4.131 1.00 0.00 N ATOM 230 CA VAL A 17 8.361 1.051 3.888 1.00 0.00 C ATOM 231 C VAL A 17 7.796 -0.143 3.127 1.00 0.00 C ATOM 232 O VAL A 17 6.928 -0.859 3.627 1.00 0.00 O ATOM 233 CB VAL A 17 8.068 2.338 3.094 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.572 2.500 2.872 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.644 3.549 3.812 1.00 0.00 C ATOM 0 H VAL A 17 10.363 1.669 3.807 1.00 0.00 H new ATOM 0 HA VAL A 17 7.879 1.118 4.863 1.00 0.00 H new ATOM 0 HB VAL A 17 8.549 2.260 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.385 3.415 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.193 1.645 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.065 2.556 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.428 4.450 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.194 3.633 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.723 3.433 3.913 1.00 0.00 H new ATOM 245 N THR A 18 8.294 -0.353 1.912 1.00 0.00 N ATOM 246 CA THR A 18 7.838 -1.460 1.080 1.00 0.00 C ATOM 247 C THR A 18 7.751 -2.752 1.884 1.00 0.00 C ATOM 248 O THR A 18 6.887 -3.594 1.636 1.00 0.00 O ATOM 249 CB THR A 18 8.773 -1.680 -0.124 1.00 0.00 C ATOM 250 OG1 THR A 18 10.134 -1.742 0.317 1.00 0.00 O ATOM 251 CG2 THR A 18 8.615 -0.561 -1.143 1.00 0.00 C ATOM 0 H THR A 18 9.013 0.229 1.482 1.00 0.00 H new ATOM 0 HA THR A 18 6.846 -1.194 0.716 1.00 0.00 H new ATOM 0 HB THR A 18 8.502 -2.623 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.545 -0.856 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.285 -0.738 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.585 -0.536 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.862 0.393 -0.677 1.00 0.00 H new ATOM 259 N THR A 19 8.652 -2.905 2.850 1.00 0.00 N ATOM 260 CA THR A 19 8.678 -4.096 3.690 1.00 0.00 C ATOM 261 C THR A 19 7.477 -4.131 4.629 1.00 0.00 C ATOM 262 O THR A 19 6.815 -5.159 4.767 1.00 0.00 O ATOM 263 CB THR A 19 9.970 -4.167 4.525 1.00 0.00 C ATOM 264 OG1 THR A 19 11.108 -4.252 3.659 1.00 0.00 O ATOM 265 CG2 THR A 19 9.946 -5.368 5.458 1.00 0.00 C ATOM 0 H THR A 19 9.374 -2.218 3.070 1.00 0.00 H new ATOM 0 HA THR A 19 8.639 -4.956 3.021 1.00 0.00 H new ATOM 0 HB THR A 19 10.038 -3.261 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.117 -3.481 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.869 -5.397 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.095 -5.286 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.857 -6.283 4.872 1.00 0.00 H new ATOM 273 N SER A 20 7.203 -3.002 5.274 1.00 0.00 N ATOM 274 CA SER A 20 6.083 -2.905 6.203 1.00 0.00 C ATOM 275 C SER A 20 4.753 -3.012 5.464 1.00 0.00 C ATOM 276 O SER A 20 3.788 -3.580 5.977 1.00 0.00 O ATOM 277 CB SER A 20 6.146 -1.585 6.975 1.00 0.00 C ATOM 278 OG SER A 20 5.747 -0.498 6.159 1.00 0.00 O ATOM 0 H SER A 20 7.741 -2.142 5.171 1.00 0.00 H new ATOM 0 HA SER A 20 6.155 -3.734 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.501 -1.642 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.161 -1.419 7.336 1.00 0.00 H new ATOM 0 HG SER A 20 6.145 -0.594 5.268 1.00 0.00 H new ATOM 284 N PHE A 21 4.709 -2.462 4.255 1.00 0.00 N ATOM 285 CA PHE A 21 3.497 -2.494 3.445 1.00 0.00 C ATOM 286 C PHE A 21 3.159 -3.922 3.028 1.00 0.00 C ATOM 287 O PHE A 21 2.048 -4.400 3.256 1.00 0.00 O ATOM 288 CB PHE A 21 3.665 -1.614 2.204 1.00 0.00 C ATOM 289 CG PHE A 21 2.522 -1.719 1.235 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.418 -2.805 0.380 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.551 -0.733 1.180 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.367 -2.905 -0.512 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.497 -0.827 0.290 1.00 0.00 C ATOM 294 CZ PHE A 21 0.406 -1.914 -0.558 1.00 0.00 C ATOM 0 H PHE A 21 5.498 -1.989 3.815 1.00 0.00 H new ATOM 0 HA PHE A 21 2.676 -2.107 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.771 -0.575 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.589 -1.890 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.167 -3.582 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.618 0.119 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.297 -3.757 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.254 -0.052 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.415 -1.989 -1.256 1.00 0.00 H new ATOM 304 N ARG A 22 4.126 -4.597 2.414 1.00 0.00 N ATOM 305 CA ARG A 22 3.931 -5.970 1.964 1.00 0.00 C ATOM 306 C ARG A 22 3.177 -6.785 3.011 1.00 0.00 C ATOM 307 O ARG A 22 2.263 -7.540 2.684 1.00 0.00 O ATOM 308 CB ARG A 22 5.280 -6.627 1.664 1.00 0.00 C ATOM 309 CG ARG A 22 5.222 -7.654 0.545 1.00 0.00 C ATOM 310 CD ARG A 22 6.246 -8.759 0.750 1.00 0.00 C ATOM 311 NE ARG A 22 7.518 -8.454 0.099 1.00 0.00 N ATOM 312 CZ ARG A 22 8.488 -7.752 0.674 1.00 0.00 C ATOM 313 NH1 ARG A 22 8.332 -7.284 1.905 1.00 0.00 N ATOM 314 NH2 ARG A 22 9.617 -7.516 0.018 1.00 0.00 N ATOM 0 H ARG A 22 5.051 -4.216 2.217 1.00 0.00 H new ATOM 0 HA ARG A 22 3.335 -5.945 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.000 -5.853 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.649 -7.109 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.223 -8.087 0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.402 -7.163 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.411 -8.907 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.852 -9.696 0.356 1.00 0.00 H new ATOM 0 HE ARG A 22 7.669 -8.799 -0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.466 -7.463 2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.078 -6.745 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.741 -7.874 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.361 -6.977 0.461 1.00 0.00 H new ATOM 328 N ALA A 23 3.569 -6.625 4.271 1.00 0.00 N ATOM 329 CA ALA A 23 2.929 -7.344 5.366 1.00 0.00 C ATOM 330 C ALA A 23 1.688 -6.607 5.856 1.00 0.00 C ATOM 331 O ALA A 23 0.576 -7.130 5.788 1.00 0.00 O ATOM 332 CB ALA A 23 3.912 -7.545 6.510 1.00 0.00 C ATOM 0 H ALA A 23 4.326 -6.005 4.558 1.00 0.00 H new ATOM 0 HA ALA A 23 2.616 -8.320 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.421 -8.083 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.767 -8.121 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.252 -6.575 6.872 1.00 0.00 H new ATOM 338 N GLY A 24 1.885 -5.389 6.350 1.00 0.00 N ATOM 339 CA GLY A 24 0.771 -4.600 6.845 1.00 0.00 C ATOM 340 C GLY A 24 -0.222 -5.430 7.633 1.00 0.00 C ATOM 341 O GLY A 24 0.166 -6.285 8.429 1.00 0.00 O ATOM 0 H GLY A 24 2.795 -4.934 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.151 -3.797 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.261 -4.130 6.004 1.00 0.00 H new ATOM 345 N MET A 25 -1.508 -5.178 7.413 1.00 0.00 N ATOM 346 CA MET A 25 -2.560 -5.909 8.110 1.00 0.00 C ATOM 347 C MET A 25 -3.395 -6.726 7.130 1.00 0.00 C ATOM 348 O MET A 25 -3.496 -6.406 5.945 1.00 0.00 O ATOM 349 CB MET A 25 -3.460 -4.940 8.880 1.00 0.00 C ATOM 350 CG MET A 25 -2.799 -4.349 10.115 1.00 0.00 C ATOM 351 SD MET A 25 -1.533 -3.131 9.710 1.00 0.00 S ATOM 352 CE MET A 25 -1.700 -1.998 11.087 1.00 0.00 C ATOM 0 H MET A 25 -1.847 -4.473 6.758 1.00 0.00 H new ATOM 0 HA MET A 25 -2.087 -6.593 8.815 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.760 -4.130 8.216 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.370 -5.461 9.179 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.559 -3.882 10.741 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.351 -5.151 10.702 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.981 -1.186 10.979 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.710 -1.588 11.101 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.511 -2.529 12.020 1.00 0.00 H new ATOM 362 N PRO A 26 -4.010 -7.808 7.632 1.00 0.00 N ATOM 363 CA PRO A 26 -4.847 -8.693 6.817 1.00 0.00 C ATOM 364 C PRO A 26 -6.152 -8.027 6.393 1.00 0.00 C ATOM 365 O PRO A 26 -6.547 -7.002 6.949 1.00 0.00 O ATOM 366 CB PRO A 26 -5.127 -9.874 7.749 1.00 0.00 C ATOM 367 CG PRO A 26 -4.994 -9.312 9.123 1.00 0.00 C ATOM 368 CD PRO A 26 -3.934 -8.249 9.035 1.00 0.00 C ATOM 0 HA PRO A 26 -4.356 -8.975 5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.124 -10.282 7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.419 -10.686 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.940 -8.893 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.712 -10.087 9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.129 -7.428 9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.948 -8.644 9.280 1.00 0.00 H new ATOM 376 N LEU A 27 -6.817 -8.617 5.406 1.00 0.00 N ATOM 377 CA LEU A 27 -8.079 -8.081 4.907 1.00 0.00 C ATOM 378 C LEU A 27 -9.199 -8.291 5.922 1.00 0.00 C ATOM 379 O LEU A 27 -9.371 -9.389 6.452 1.00 0.00 O ATOM 380 CB LEU A 27 -8.448 -8.745 3.579 1.00 0.00 C ATOM 381 CG LEU A 27 -7.392 -8.671 2.476 1.00 0.00 C ATOM 382 CD1 LEU A 27 -6.539 -9.930 2.469 1.00 0.00 C ATOM 383 CD2 LEU A 27 -8.050 -8.463 1.120 1.00 0.00 C ATOM 0 H LEU A 27 -6.504 -9.466 4.936 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.953 -7.010 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.672 -9.794 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.365 -8.286 3.208 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.744 -7.818 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.793 -9.860 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.038 -10.036 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.174 -10.799 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.283 -8.413 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.722 -9.295 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.617 -7.532 1.130 1.00 0.00 H new ATOM 395 N ARG A 28 -9.958 -7.233 6.185 1.00 0.00 N ATOM 396 CA ARG A 28 -11.062 -7.302 7.135 1.00 0.00 C ATOM 397 C ARG A 28 -12.343 -7.766 6.447 1.00 0.00 C ATOM 398 O ARG A 28 -12.929 -8.781 6.823 1.00 0.00 O ATOM 399 CB ARG A 28 -11.287 -5.937 7.788 1.00 0.00 C ATOM 400 CG ARG A 28 -10.165 -5.517 8.724 1.00 0.00 C ATOM 401 CD ARG A 28 -10.420 -5.989 10.147 1.00 0.00 C ATOM 402 NE ARG A 28 -10.049 -7.389 10.334 1.00 0.00 N ATOM 403 CZ ARG A 28 -8.820 -7.789 10.639 1.00 0.00 C ATOM 404 NH1 ARG A 28 -7.848 -6.899 10.789 1.00 0.00 N ATOM 405 NH2 ARG A 28 -8.560 -9.081 10.793 1.00 0.00 N ATOM 0 H ARG A 28 -9.829 -6.318 5.754 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.800 -8.027 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.399 -5.184 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.224 -5.960 8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.220 -5.927 8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.067 -4.432 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.854 -5.368 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.475 -5.858 10.389 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.774 -8.098 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.044 -5.905 10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.905 -7.209 11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.305 -9.768 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.616 -9.387 11.027 1.00 0.00 H new ATOM 419 N LYS A 29 -12.772 -7.015 5.439 1.00 0.00 N ATOM 420 CA LYS A 29 -13.983 -7.348 4.698 1.00 0.00 C ATOM 421 C LYS A 29 -13.992 -6.663 3.335 1.00 0.00 C ATOM 422 O LYS A 29 -13.281 -5.681 3.117 1.00 0.00 O ATOM 423 CB LYS A 29 -15.223 -6.938 5.495 1.00 0.00 C ATOM 424 CG LYS A 29 -15.429 -5.435 5.569 1.00 0.00 C ATOM 425 CD LYS A 29 -16.825 -5.087 6.059 1.00 0.00 C ATOM 426 CE LYS A 29 -17.259 -3.712 5.573 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.499 -2.621 6.244 1.00 0.00 N ATOM 0 H LYS A 29 -12.299 -6.171 5.116 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.999 -8.427 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.103 -7.395 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.142 -7.335 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.688 -4.998 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.268 -4.996 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.533 -5.838 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.846 -5.113 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.114 -3.646 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.325 -3.580 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.824 -1.700 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.657 -2.668 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.484 -2.731 6.045 1.00 0.00 H new ATOM 441 N HIS A 30 -14.803 -7.185 2.420 1.00 0.00 N ATOM 442 CA HIS A 30 -14.906 -6.622 1.079 1.00 0.00 C ATOM 443 C HIS A 30 -16.309 -6.079 0.824 1.00 0.00 C ATOM 444 O HIS A 30 -17.283 -6.546 1.415 1.00 0.00 O ATOM 445 CB HIS A 30 -14.558 -7.679 0.031 1.00 0.00 C ATOM 446 CG HIS A 30 -13.274 -8.398 0.309 1.00 0.00 C ATOM 447 ND1 HIS A 30 -13.222 -9.707 0.738 1.00 0.00 N ATOM 448 CD2 HIS A 30 -11.988 -7.983 0.215 1.00 0.00 C ATOM 449 CE1 HIS A 30 -11.960 -10.066 0.898 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.192 -9.038 0.587 1.00 0.00 N ATOM 0 H HIS A 30 -15.398 -7.997 2.583 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.197 -5.798 1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -15.368 -8.406 -0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.493 -7.202 -0.947 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -14.031 -10.305 0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.652 -7.005 -0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.616 -11.035 1.227 1.00 0.00 H new ATOM 458 N ARG A 31 -16.404 -5.090 -0.058 1.00 0.00 N ATOM 459 CA ARG A 31 -17.688 -4.482 -0.389 1.00 0.00 C ATOM 460 C ARG A 31 -18.683 -5.537 -0.863 1.00 0.00 C ATOM 461 O ARG A 31 -19.853 -5.514 -0.485 1.00 0.00 O ATOM 462 CB ARG A 31 -17.507 -3.414 -1.470 1.00 0.00 C ATOM 463 CG ARG A 31 -17.054 -2.069 -0.927 1.00 0.00 C ATOM 464 CD ARG A 31 -18.238 -1.187 -0.565 1.00 0.00 C ATOM 465 NE ARG A 31 -17.820 0.155 -0.169 1.00 0.00 N ATOM 466 CZ ARG A 31 -18.611 1.221 -0.235 1.00 0.00 C ATOM 467 NH1 ARG A 31 -19.855 1.101 -0.678 1.00 0.00 N ATOM 468 NH2 ARG A 31 -18.158 2.409 0.144 1.00 0.00 N ATOM 0 H ARG A 31 -15.608 -4.692 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 31 -18.083 -4.014 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -16.777 -3.767 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -18.450 -3.283 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.430 -2.222 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.437 -1.564 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.914 -1.119 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -18.797 -1.647 0.249 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.869 0.281 0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -20.207 0.189 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.460 1.921 -0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.202 2.505 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.766 3.227 0.093 1.00 0.00 H new ATOM 482 N GLN A 32 -18.208 -6.460 -1.693 1.00 0.00 N ATOM 483 CA GLN A 32 -19.057 -7.523 -2.219 1.00 0.00 C ATOM 484 C GLN A 32 -19.586 -8.405 -1.093 1.00 0.00 C ATOM 485 O GLN A 32 -18.859 -9.233 -0.545 1.00 0.00 O ATOM 486 CB GLN A 32 -18.281 -8.373 -3.226 1.00 0.00 C ATOM 487 CG GLN A 32 -19.172 -9.167 -4.168 1.00 0.00 C ATOM 488 CD GLN A 32 -19.994 -8.279 -5.081 1.00 0.00 C ATOM 489 OE1 GLN A 32 -19.574 -7.955 -6.193 1.00 0.00 O ATOM 490 NE2 GLN A 32 -21.172 -7.880 -4.617 1.00 0.00 N ATOM 0 H GLN A 32 -17.241 -6.493 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 32 -19.906 -7.060 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.633 -7.723 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.634 -9.063 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.554 -9.831 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -19.841 -9.799 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.481 -8.172 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -21.769 -7.281 -5.188 1.00 0.00 H new ATOM 499 N HIS A 33 -20.858 -8.220 -0.752 1.00 0.00 N ATOM 500 CA HIS A 33 -21.485 -9.000 0.309 1.00 0.00 C ATOM 501 C HIS A 33 -21.007 -10.448 0.276 1.00 0.00 C ATOM 502 O HIS A 33 -20.368 -10.923 1.215 1.00 0.00 O ATOM 503 CB HIS A 33 -23.008 -8.950 0.176 1.00 0.00 C ATOM 504 CG HIS A 33 -23.612 -7.675 0.678 1.00 0.00 C ATOM 505 ND1 HIS A 33 -24.151 -6.718 -0.156 1.00 0.00 N ATOM 506 CD2 HIS A 33 -23.761 -7.202 1.937 1.00 0.00 C ATOM 507 CE1 HIS A 33 -24.605 -5.711 0.569 1.00 0.00 C ATOM 508 NE2 HIS A 33 -24.381 -5.980 1.843 1.00 0.00 N ATOM 0 H HIS A 33 -21.474 -7.538 -1.195 1.00 0.00 H new ATOM 0 HA HIS A 33 -21.196 -8.563 1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -23.277 -9.082 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -23.440 -9.787 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -23.450 -7.694 2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -25.079 -4.819 0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -24.628 -5.378 2.629 1.00 0.00 H new ATOM 516 N PHE A 34 -21.320 -11.144 -0.812 1.00 0.00 N ATOM 517 CA PHE A 34 -20.924 -12.539 -0.967 1.00 0.00 C ATOM 518 C PHE A 34 -19.581 -12.646 -1.683 1.00 0.00 C ATOM 519 O PHE A 34 -19.111 -11.686 -2.294 1.00 0.00 O ATOM 520 CB PHE A 34 -21.992 -13.312 -1.744 1.00 0.00 C ATOM 521 CG PHE A 34 -21.934 -13.087 -3.228 1.00 0.00 C ATOM 522 CD1 PHE A 34 -22.649 -12.055 -3.814 1.00 0.00 C ATOM 523 CD2 PHE A 34 -21.164 -13.908 -4.036 1.00 0.00 C ATOM 524 CE1 PHE A 34 -22.597 -11.846 -5.179 1.00 0.00 C ATOM 525 CE2 PHE A 34 -21.108 -13.703 -5.402 1.00 0.00 C ATOM 526 CZ PHE A 34 -21.827 -12.671 -5.974 1.00 0.00 C ATOM 0 H PHE A 34 -21.847 -10.765 -1.599 1.00 0.00 H new ATOM 0 HA PHE A 34 -20.822 -12.974 0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.878 -14.377 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.977 -13.022 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -23.254 -11.407 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -20.601 -14.717 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -23.158 -11.038 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -20.503 -14.349 -6.021 1.00 0.00 H new ATOM 0 HZ PHE A 34 -21.787 -12.510 -7.041 1.00 0.00 H new ATOM 536 N LYS A 35 -18.967 -13.822 -1.603 1.00 0.00 N ATOM 537 CA LYS A 35 -17.678 -14.058 -2.243 1.00 0.00 C ATOM 538 C LYS A 35 -17.823 -14.095 -3.761 1.00 0.00 C ATOM 539 O LYS A 35 -18.345 -15.060 -4.321 1.00 0.00 O ATOM 540 CB LYS A 35 -17.071 -15.371 -1.745 1.00 0.00 C ATOM 541 CG LYS A 35 -16.456 -15.271 -0.360 1.00 0.00 C ATOM 542 CD LYS A 35 -15.525 -16.437 -0.077 1.00 0.00 C ATOM 543 CE LYS A 35 -16.300 -17.723 0.167 1.00 0.00 C ATOM 544 NZ LYS A 35 -15.470 -18.748 0.858 1.00 0.00 N ATOM 0 H LYS A 35 -19.342 -14.627 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.013 -13.235 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.845 -16.138 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.307 -15.698 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.905 -14.335 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.247 -15.246 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.846 -16.574 -0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.911 -16.210 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.184 -17.506 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.651 -18.122 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.034 -19.609 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.640 -18.974 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.156 -18.378 1.778 1.00 0.00 H new ATOM 558 N LYS A 36 -17.358 -13.041 -4.422 1.00 0.00 N ATOM 559 CA LYS A 36 -17.433 -12.954 -5.875 1.00 0.00 C ATOM 560 C LYS A 36 -16.038 -12.892 -6.489 1.00 0.00 C ATOM 561 O LYS A 36 -15.788 -13.475 -7.545 1.00 0.00 O ATOM 562 CB LYS A 36 -18.240 -11.722 -6.292 1.00 0.00 C ATOM 563 CG LYS A 36 -18.849 -11.835 -7.679 1.00 0.00 C ATOM 564 CD LYS A 36 -19.862 -10.731 -7.934 1.00 0.00 C ATOM 565 CE LYS A 36 -20.400 -10.787 -9.356 1.00 0.00 C ATOM 566 NZ LYS A 36 -19.505 -10.086 -10.317 1.00 0.00 N ATOM 0 H LYS A 36 -16.925 -12.234 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.933 -13.850 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.037 -11.557 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.593 -10.846 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.060 -11.786 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.332 -12.806 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.687 -10.822 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.397 -9.761 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -20.515 -11.827 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.391 -10.335 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.907 -10.147 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.415 -9.087 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.566 -10.533 -10.307 1.00 0.00 H new ATOM 580 N TYR A 37 -15.133 -12.185 -5.822 1.00 0.00 N ATOM 581 CA TYR A 37 -13.764 -12.048 -6.302 1.00 0.00 C ATOM 582 C TYR A 37 -12.763 -12.371 -5.197 1.00 0.00 C ATOM 583 O TYR A 37 -13.082 -12.290 -4.012 1.00 0.00 O ATOM 584 CB TYR A 37 -13.524 -10.630 -6.824 1.00 0.00 C ATOM 585 CG TYR A 37 -14.114 -9.552 -5.942 1.00 0.00 C ATOM 586 CD1 TYR A 37 -13.647 -9.352 -4.649 1.00 0.00 C ATOM 587 CD2 TYR A 37 -15.138 -8.734 -6.403 1.00 0.00 C ATOM 588 CE1 TYR A 37 -14.184 -8.370 -3.840 1.00 0.00 C ATOM 589 CE2 TYR A 37 -15.680 -7.748 -5.601 1.00 0.00 C ATOM 590 CZ TYR A 37 -15.200 -7.570 -4.321 1.00 0.00 C ATOM 591 OH TYR A 37 -15.736 -6.589 -3.518 1.00 0.00 O ATOM 0 H TYR A 37 -15.323 -11.698 -4.946 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.619 -12.758 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.451 -10.463 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.949 -10.543 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.850 -9.975 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.517 -8.871 -7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.811 -8.229 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.475 -7.120 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.360 -6.043 -4.041 1.00 0.00 H new ATOM 601 N GLY A 38 -11.548 -12.737 -5.596 1.00 0.00 N ATOM 602 CA GLY A 38 -10.518 -13.067 -4.628 1.00 0.00 C ATOM 603 C GLY A 38 -10.286 -11.953 -3.627 1.00 0.00 C ATOM 604 O GLY A 38 -10.664 -10.806 -3.865 1.00 0.00 O ATOM 0 H GLY A 38 -11.259 -12.811 -6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.801 -13.976 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.586 -13.281 -5.152 1.00 0.00 H new ATOM 608 N ASN A 39 -9.663 -12.290 -2.502 1.00 0.00 N ATOM 609 CA ASN A 39 -9.382 -11.310 -1.460 1.00 0.00 C ATOM 610 C ASN A 39 -8.537 -10.163 -2.005 1.00 0.00 C ATOM 611 O ASN A 39 -7.343 -10.325 -2.258 1.00 0.00 O ATOM 612 CB ASN A 39 -8.663 -11.975 -0.285 1.00 0.00 C ATOM 613 CG ASN A 39 -9.596 -12.817 0.563 1.00 0.00 C ATOM 614 OD1 ASN A 39 -10.367 -13.625 0.043 1.00 0.00 O ATOM 615 ND2 ASN A 39 -9.532 -12.631 1.877 1.00 0.00 N ATOM 0 H ASN A 39 -9.343 -13.235 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.332 -10.904 -1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.856 -12.602 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.204 -11.207 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.137 -13.168 2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.878 -11.951 2.265 1.00 0.00 H new ATOM 622 N CYS A 40 -9.164 -9.005 -2.182 1.00 0.00 N ATOM 623 CA CYS A 40 -8.470 -7.831 -2.697 1.00 0.00 C ATOM 624 C CYS A 40 -8.762 -6.606 -1.836 1.00 0.00 C ATOM 625 O CYS A 40 -9.646 -6.632 -0.981 1.00 0.00 O ATOM 626 CB CYS A 40 -8.883 -7.562 -4.145 1.00 0.00 C ATOM 627 SG CYS A 40 -8.262 -8.780 -5.328 1.00 0.00 S ATOM 0 H CYS A 40 -10.152 -8.855 -1.976 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.399 -8.029 -2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.971 -7.537 -4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.526 -6.574 -4.436 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.272 -8.269 -5.998 1.00 0.00 H new ATOM 633 N PHE A 41 -8.011 -5.534 -2.068 1.00 0.00 N ATOM 634 CA PHE A 41 -8.187 -4.299 -1.312 1.00 0.00 C ATOM 635 C PHE A 41 -8.204 -3.090 -2.242 1.00 0.00 C ATOM 636 O PHE A 41 -7.290 -2.895 -3.044 1.00 0.00 O ATOM 637 CB PHE A 41 -7.070 -4.146 -0.278 1.00 0.00 C ATOM 638 CG PHE A 41 -5.703 -4.445 -0.823 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.945 -3.448 -1.415 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.177 -5.725 -0.744 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.686 -3.721 -1.917 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.919 -6.003 -1.244 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.173 -5.000 -1.832 1.00 0.00 C ATOM 0 H PHE A 41 -7.275 -5.496 -2.773 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.146 -4.351 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.083 -3.128 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.270 -4.810 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.342 -2.446 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.756 -6.513 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.104 -2.935 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.519 -7.004 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.190 -5.216 -2.224 1.00 0.00 H new ATOM 653 N THR A 42 -9.252 -2.279 -2.130 1.00 0.00 N ATOM 654 CA THR A 42 -9.390 -1.090 -2.961 1.00 0.00 C ATOM 655 C THR A 42 -8.221 -0.134 -2.752 1.00 0.00 C ATOM 656 O THR A 42 -7.542 -0.183 -1.727 1.00 0.00 O ATOM 657 CB THR A 42 -10.706 -0.346 -2.663 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.722 0.095 -1.300 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.906 -1.243 -2.924 1.00 0.00 C ATOM 0 H THR A 42 -10.017 -2.425 -1.472 1.00 0.00 H new ATOM 0 HA THR A 42 -9.399 -1.428 -3.997 1.00 0.00 H new ATOM 0 HB THR A 42 -10.767 0.518 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.561 0.568 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.823 -0.696 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.908 -1.554 -3.969 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.848 -2.123 -2.284 1.00 0.00 H new ATOM 667 N ALA A 43 -7.992 0.736 -3.731 1.00 0.00 N ATOM 668 CA ALA A 43 -6.906 1.705 -3.653 1.00 0.00 C ATOM 669 C ALA A 43 -7.099 2.651 -2.472 1.00 0.00 C ATOM 670 O ALA A 43 -6.140 3.012 -1.791 1.00 0.00 O ATOM 671 CB ALA A 43 -6.807 2.492 -4.951 1.00 0.00 C ATOM 0 H ALA A 43 -8.544 0.789 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.975 1.159 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.992 3.212 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.615 1.808 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.744 3.021 -5.128 1.00 0.00 H new ATOM 677 N GLY A 44 -8.345 3.050 -2.236 1.00 0.00 N ATOM 678 CA GLY A 44 -8.640 3.951 -1.138 1.00 0.00 C ATOM 679 C GLY A 44 -8.124 3.435 0.191 1.00 0.00 C ATOM 680 O GLY A 44 -7.268 4.060 0.816 1.00 0.00 O ATOM 0 H GLY A 44 -9.155 2.765 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.197 4.925 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.718 4.099 -1.073 1.00 0.00 H new ATOM 684 N GLU A 45 -8.647 2.292 0.623 1.00 0.00 N ATOM 685 CA GLU A 45 -8.234 1.695 1.888 1.00 0.00 C ATOM 686 C GLU A 45 -6.716 1.730 2.037 1.00 0.00 C ATOM 687 O GLU A 45 -6.192 2.157 3.065 1.00 0.00 O ATOM 688 CB GLU A 45 -8.733 0.251 1.982 1.00 0.00 C ATOM 689 CG GLU A 45 -10.247 0.127 1.949 1.00 0.00 C ATOM 690 CD GLU A 45 -10.872 0.236 3.326 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.188 -0.098 4.316 1.00 0.00 O ATOM 692 OE2 GLU A 45 -12.045 0.656 3.413 1.00 0.00 O ATOM 0 H GLU A 45 -9.356 1.762 0.117 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.674 2.278 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.312 -0.325 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.360 -0.194 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.657 0.905 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.520 -0.831 1.505 1.00 0.00 H new ATOM 699 N ALA A 46 -6.015 1.278 1.002 1.00 0.00 N ATOM 700 CA ALA A 46 -4.557 1.259 1.016 1.00 0.00 C ATOM 701 C ALA A 46 -3.994 2.630 1.375 1.00 0.00 C ATOM 702 O ALA A 46 -3.042 2.738 2.148 1.00 0.00 O ATOM 703 CB ALA A 46 -4.022 0.802 -0.333 1.00 0.00 C ATOM 0 H ALA A 46 -6.433 0.920 0.143 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.234 0.552 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.932 0.793 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.389 -0.202 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.361 1.487 -1.110 1.00 0.00 H new ATOM 709 N VAL A 47 -4.588 3.675 0.807 1.00 0.00 N ATOM 710 CA VAL A 47 -4.145 5.040 1.067 1.00 0.00 C ATOM 711 C VAL A 47 -3.986 5.290 2.563 1.00 0.00 C ATOM 712 O VAL A 47 -3.005 5.892 3.001 1.00 0.00 O ATOM 713 CB VAL A 47 -5.132 6.070 0.488 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.676 7.485 0.808 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.283 5.877 -1.014 1.00 0.00 C ATOM 0 H VAL A 47 -5.377 3.603 0.164 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.179 5.158 0.577 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.106 5.914 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.386 8.199 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.624 7.615 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.691 7.657 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.984 6.613 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.314 6.005 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.659 4.874 -1.216 1.00 0.00 H new ATOM 725 N ASP A 48 -4.956 4.824 3.341 1.00 0.00 N ATOM 726 CA ASP A 48 -4.924 4.996 4.789 1.00 0.00 C ATOM 727 C ASP A 48 -3.828 4.137 5.414 1.00 0.00 C ATOM 728 O ASP A 48 -2.936 4.648 6.090 1.00 0.00 O ATOM 729 CB ASP A 48 -6.280 4.637 5.397 1.00 0.00 C ATOM 730 CG ASP A 48 -6.408 5.094 6.837 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.505 4.782 7.641 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.412 5.763 7.161 1.00 0.00 O ATOM 0 H ASP A 48 -5.774 4.324 2.994 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.706 6.043 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.073 5.091 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.423 3.558 5.347 1.00 0.00 H new ATOM 737 N TRP A 49 -3.904 2.832 5.183 1.00 0.00 N ATOM 738 CA TRP A 49 -2.920 1.902 5.724 1.00 0.00 C ATOM 739 C TRP A 49 -1.502 2.403 5.474 1.00 0.00 C ATOM 740 O TRP A 49 -0.666 2.412 6.379 1.00 0.00 O ATOM 741 CB TRP A 49 -3.101 0.516 5.103 1.00 0.00 C ATOM 742 CG TRP A 49 -1.829 -0.272 5.028 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.374 -0.994 3.961 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.849 -0.420 6.062 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.170 -1.581 4.270 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.173 -1.244 5.552 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.735 0.066 7.367 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.292 -1.592 6.304 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.375 -0.281 8.112 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.378 -1.102 7.580 1.00 0.00 C ATOM 0 H TRP A 49 -4.637 2.394 4.625 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.077 1.833 6.800 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.832 -0.043 5.687 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.511 0.626 4.099 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.885 -1.089 3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.379 -2.172 3.645 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.501 0.702 7.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.065 -2.226 5.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.472 0.087 9.123 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.235 -1.353 8.187 1.00 0.00 H new ATOM 761 N LEU A 50 -1.236 2.821 4.241 1.00 0.00 N ATOM 762 CA LEU A 50 0.082 3.325 3.871 1.00 0.00 C ATOM 763 C LEU A 50 0.346 4.683 4.513 1.00 0.00 C ATOM 764 O LEU A 50 1.348 4.872 5.203 1.00 0.00 O ATOM 765 CB LEU A 50 0.200 3.435 2.350 1.00 0.00 C ATOM 766 CG LEU A 50 1.589 3.772 1.807 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.534 2.596 1.993 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.506 4.166 0.339 1.00 0.00 C ATOM 0 H LEU A 50 -1.916 2.821 3.481 1.00 0.00 H new ATOM 0 HA LEU A 50 0.829 2.620 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.120 2.490 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.498 4.198 2.006 1.00 0.00 H new ATOM 0 HG LEU A 50 1.982 4.620 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.518 2.854 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.617 2.360 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.146 1.729 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.504 4.403 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.092 3.338 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.863 5.040 0.233 1.00 0.00 H new ATOM 780 N TYR A 51 -0.561 5.626 4.282 1.00 0.00 N ATOM 781 CA TYR A 51 -0.427 6.968 4.837 1.00 0.00 C ATOM 782 C TYR A 51 -0.048 6.911 6.314 1.00 0.00 C ATOM 783 O TYR A 51 1.025 7.367 6.709 1.00 0.00 O ATOM 784 CB TYR A 51 -1.732 7.747 4.664 1.00 0.00 C ATOM 785 CG TYR A 51 -1.877 8.907 5.623 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.401 10.170 5.293 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.488 8.740 6.860 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.530 11.233 6.166 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.622 9.798 7.738 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.141 11.042 7.387 1.00 0.00 C ATOM 791 OH TYR A 51 -2.272 12.097 8.260 1.00 0.00 O ATOM 0 H TYR A 51 -1.397 5.486 3.714 1.00 0.00 H new ATOM 0 HA TYR A 51 0.368 7.480 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.789 8.122 3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.572 7.066 4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.922 10.323 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.864 7.767 7.139 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.154 12.208 5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.101 9.652 8.695 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.726 11.794 9.074 1.00 0.00 H new ATOM 801 N ASP A 52 -0.936 6.347 7.125 1.00 0.00 N ATOM 802 CA ASP A 52 -0.696 6.228 8.558 1.00 0.00 C ATOM 803 C ASP A 52 0.708 5.697 8.831 1.00 0.00 C ATOM 804 O ASP A 52 1.418 6.206 9.700 1.00 0.00 O ATOM 805 CB ASP A 52 -1.736 5.306 9.197 1.00 0.00 C ATOM 806 CG ASP A 52 -1.330 4.848 10.584 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.568 3.864 10.684 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.775 5.473 11.569 1.00 0.00 O ATOM 0 H ASP A 52 -1.829 5.965 6.814 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.783 7.221 8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.692 5.827 9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.886 4.435 8.559 1.00 0.00 H new ATOM 813 N LEU A 53 1.102 4.671 8.086 1.00 0.00 N ATOM 814 CA LEU A 53 2.421 4.069 8.248 1.00 0.00 C ATOM 815 C LEU A 53 3.522 5.091 7.983 1.00 0.00 C ATOM 816 O LEU A 53 4.452 5.238 8.776 1.00 0.00 O ATOM 817 CB LEU A 53 2.579 2.876 7.303 1.00 0.00 C ATOM 818 CG LEU A 53 3.999 2.332 7.141 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.277 1.250 8.173 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.206 1.794 5.733 1.00 0.00 C ATOM 0 H LEU A 53 0.527 4.238 7.363 1.00 0.00 H new ATOM 0 HA LEU A 53 2.511 3.723 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.940 2.068 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.208 3.165 6.320 1.00 0.00 H new ATOM 0 HG LEU A 53 4.702 3.149 7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.292 0.875 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.170 1.666 9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.568 0.432 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.222 1.411 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.495 0.990 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.050 2.595 5.011 1.00 0.00 H new ATOM 832 N LEU A 54 3.409 5.797 6.863 1.00 0.00 N ATOM 833 CA LEU A 54 4.394 6.808 6.493 1.00 0.00 C ATOM 834 C LEU A 54 4.486 7.894 7.561 1.00 0.00 C ATOM 835 O LEU A 54 5.521 8.056 8.207 1.00 0.00 O ATOM 836 CB LEU A 54 4.031 7.433 5.145 1.00 0.00 C ATOM 837 CG LEU A 54 3.943 6.469 3.961 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.309 7.154 2.761 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.322 5.934 3.605 1.00 0.00 C ATOM 0 H LEU A 54 2.645 5.688 6.196 1.00 0.00 H new ATOM 0 HA LEU A 54 5.365 6.321 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.071 7.939 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.771 8.198 4.911 1.00 0.00 H new ATOM 0 HG LEU A 54 3.312 5.628 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.255 6.453 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.304 7.487 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.913 8.014 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.240 5.250 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.976 6.764 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.739 5.405 4.462 1.00 0.00 H new ATOM 851 N ARG A 55 3.397 8.634 7.741 1.00 0.00 N ATOM 852 CA ARG A 55 3.355 9.703 8.731 1.00 0.00 C ATOM 853 C ARG A 55 3.942 9.237 10.060 1.00 0.00 C ATOM 854 O ARG A 55 4.547 10.020 10.791 1.00 0.00 O ATOM 855 CB ARG A 55 1.916 10.180 8.936 1.00 0.00 C ATOM 856 CG ARG A 55 0.970 9.084 9.399 1.00 0.00 C ATOM 857 CD ARG A 55 -0.222 9.656 10.149 1.00 0.00 C ATOM 858 NE ARG A 55 -0.729 8.731 11.159 1.00 0.00 N ATOM 859 CZ ARG A 55 -1.440 9.113 12.214 1.00 0.00 C ATOM 860 NH1 ARG A 55 -1.727 10.394 12.396 1.00 0.00 N ATOM 861 NH2 ARG A 55 -1.866 8.211 13.090 1.00 0.00 N ATOM 0 H ARG A 55 2.532 8.513 7.214 1.00 0.00 H new ATOM 0 HA ARG A 55 3.956 10.533 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.911 10.986 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.544 10.598 8.000 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.620 8.516 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.506 8.387 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.066 10.592 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.017 9.891 9.441 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.526 7.738 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.402 11.090 11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.273 10.684 13.207 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.647 7.224 12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.412 8.505 13.900 1.00 0.00 H new ATOM 875 N ASN A 56 3.758 7.957 10.366 1.00 0.00 N ATOM 876 CA ASN A 56 4.268 7.387 11.608 1.00 0.00 C ATOM 877 C ASN A 56 5.777 7.585 11.717 1.00 0.00 C ATOM 878 O ASN A 56 6.287 7.979 12.765 1.00 0.00 O ATOM 879 CB ASN A 56 3.931 5.897 11.685 1.00 0.00 C ATOM 880 CG ASN A 56 4.150 5.326 13.073 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.245 4.870 13.404 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.106 5.349 13.894 1.00 0.00 N ATOM 0 H ASN A 56 3.260 7.295 9.771 1.00 0.00 H new ATOM 0 HA ASN A 56 3.790 7.904 12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.892 5.747 11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.545 5.351 10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.193 4.979 14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.217 5.736 13.578 1.00 0.00 H new ATOM 889 N ASN A 57 6.485 7.309 10.627 1.00 0.00 N ATOM 890 CA ASN A 57 7.936 7.457 10.600 1.00 0.00 C ATOM 891 C ASN A 57 8.334 8.929 10.656 1.00 0.00 C ATOM 892 O ASN A 57 7.492 9.816 10.516 1.00 0.00 O ATOM 893 CB ASN A 57 8.512 6.808 9.340 1.00 0.00 C ATOM 894 CG ASN A 57 10.029 6.817 9.327 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.671 6.691 10.370 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.609 6.968 8.142 1.00 0.00 N ATOM 0 H ASN A 57 6.078 6.982 9.751 1.00 0.00 H new ATOM 0 HA ASN A 57 8.344 6.956 11.478 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.157 5.780 9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.141 7.335 8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.626 6.983 8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.037 7.069 7.303 1.00 0.00 H new ATOM 903 N SER A 58 9.623 9.180 10.859 1.00 0.00 N ATOM 904 CA SER A 58 10.133 10.544 10.936 1.00 0.00 C ATOM 905 C SER A 58 10.373 11.114 9.541 1.00 0.00 C ATOM 906 O SER A 58 10.048 12.268 9.266 1.00 0.00 O ATOM 907 CB SER A 58 11.431 10.581 11.745 1.00 0.00 C ATOM 908 OG SER A 58 11.198 10.238 13.100 1.00 0.00 O ATOM 0 H SER A 58 10.333 8.457 10.973 1.00 0.00 H new ATOM 0 HA SER A 58 9.384 11.158 11.436 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.153 9.890 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.870 11.577 11.689 1.00 0.00 H new ATOM 0 HG SER A 58 12.043 10.267 13.595 1.00 0.00 H new ATOM 914 N ASN A 59 10.945 10.295 8.665 1.00 0.00 N ATOM 915 CA ASN A 59 11.230 10.716 7.298 1.00 0.00 C ATOM 916 C ASN A 59 10.088 11.559 6.739 1.00 0.00 C ATOM 917 O ASN A 59 10.308 12.646 6.205 1.00 0.00 O ATOM 918 CB ASN A 59 11.463 9.497 6.404 1.00 0.00 C ATOM 919 CG ASN A 59 11.761 9.881 4.968 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.920 9.949 4.559 1.00 0.00 O ATOM 921 ND2 ASN A 59 10.712 10.134 4.194 1.00 0.00 N ATOM 0 H ASN A 59 11.220 9.336 8.877 1.00 0.00 H new ATOM 0 HA ASN A 59 12.134 11.325 7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.293 8.913 6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.581 8.857 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.850 10.397 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.768 10.065 4.575 1.00 0.00 H new ATOM 928 N PHE A 60 8.867 11.051 6.868 1.00 0.00 N ATOM 929 CA PHE A 60 7.689 11.756 6.376 1.00 0.00 C ATOM 930 C PHE A 60 7.101 12.654 7.460 1.00 0.00 C ATOM 931 O PHE A 60 6.911 13.852 7.254 1.00 0.00 O ATOM 932 CB PHE A 60 6.634 10.757 5.897 1.00 0.00 C ATOM 933 CG PHE A 60 7.186 9.685 5.001 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.887 8.614 5.532 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.003 9.747 3.629 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.397 7.627 4.710 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.510 8.762 2.803 1.00 0.00 C ATOM 938 CZ PHE A 60 8.207 7.700 3.344 1.00 0.00 C ATOM 0 H PHE A 60 8.667 10.153 7.309 1.00 0.00 H new ATOM 0 HA PHE A 60 7.994 12.381 5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.167 10.290 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.850 11.296 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.036 8.550 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.458 10.575 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.944 6.799 5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.361 8.823 1.735 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.603 6.928 2.700 1.00 0.00 H new ATOM 948 N GLY A 61 6.813 12.065 8.617 1.00 0.00 N ATOM 949 CA GLY A 61 6.249 12.825 9.716 1.00 0.00 C ATOM 950 C GLY A 61 4.755 13.036 9.568 1.00 0.00 C ATOM 951 O GLY A 61 4.161 12.722 8.537 1.00 0.00 O ATOM 0 H GLY A 61 6.961 11.075 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.448 12.305 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.745 13.793 9.777 1.00 0.00 H new ATOM 955 N PRO A 62 4.123 13.580 10.620 1.00 0.00 N ATOM 956 CA PRO A 62 2.681 13.843 10.627 1.00 0.00 C ATOM 957 C PRO A 62 2.294 14.978 9.684 1.00 0.00 C ATOM 958 O PRO A 62 1.129 15.364 9.609 1.00 0.00 O ATOM 959 CB PRO A 62 2.400 14.236 12.079 1.00 0.00 C ATOM 960 CG PRO A 62 3.697 14.764 12.587 1.00 0.00 C ATOM 961 CD PRO A 62 4.768 13.979 11.882 1.00 0.00 C ATOM 0 HA PRO A 62 2.108 12.981 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.615 14.989 12.140 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.065 13.379 12.663 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.793 15.830 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.771 14.643 13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.658 14.583 11.705 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.081 13.113 12.465 1.00 0.00 H new ATOM 969 N GLU A 63 3.280 15.506 8.966 1.00 0.00 N ATOM 970 CA GLU A 63 3.042 16.597 8.028 1.00 0.00 C ATOM 971 C GLU A 63 2.469 16.070 6.715 1.00 0.00 C ATOM 972 O GLU A 63 1.572 16.676 6.128 1.00 0.00 O ATOM 973 CB GLU A 63 4.339 17.362 7.760 1.00 0.00 C ATOM 974 CG GLU A 63 5.441 16.502 7.163 1.00 0.00 C ATOM 975 CD GLU A 63 6.827 17.045 7.453 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.272 16.942 8.616 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.465 17.573 6.519 1.00 0.00 O ATOM 0 H GLU A 63 4.251 15.196 9.016 1.00 0.00 H new ATOM 0 HA GLU A 63 2.315 17.275 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.129 18.190 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.695 17.796 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.361 15.490 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.300 16.434 6.084 1.00 0.00 H new ATOM 984 N VAL A 64 2.993 14.936 6.260 1.00 0.00 N ATOM 985 CA VAL A 64 2.534 14.326 5.018 1.00 0.00 C ATOM 986 C VAL A 64 1.022 14.136 5.025 1.00 0.00 C ATOM 987 O VAL A 64 0.442 13.713 6.026 1.00 0.00 O ATOM 988 CB VAL A 64 3.211 12.964 4.778 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.831 11.978 5.872 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.841 12.420 3.406 1.00 0.00 C ATOM 0 H VAL A 64 3.736 14.421 6.733 1.00 0.00 H new ATOM 0 HA VAL A 64 2.808 15.006 4.211 1.00 0.00 H new ATOM 0 HB VAL A 64 4.291 13.104 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.319 11.021 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.151 12.366 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.750 11.839 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.328 11.457 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.760 12.294 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.169 13.119 2.637 1.00 0.00 H new ATOM 1000 N THR A 65 0.386 14.450 3.900 1.00 0.00 N ATOM 1001 CA THR A 65 -1.060 14.314 3.776 1.00 0.00 C ATOM 1002 C THR A 65 -1.427 13.338 2.664 1.00 0.00 C ATOM 1003 O THR A 65 -0.600 13.014 1.812 1.00 0.00 O ATOM 1004 CB THR A 65 -1.730 15.672 3.494 1.00 0.00 C ATOM 1005 OG1 THR A 65 -3.152 15.549 3.602 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.364 16.178 2.107 1.00 0.00 C ATOM 0 H THR A 65 0.850 14.800 3.062 1.00 0.00 H new ATOM 0 HA THR A 65 -1.424 13.929 4.728 1.00 0.00 H new ATOM 0 HB THR A 65 -1.371 16.389 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.570 16.417 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.849 17.138 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.283 16.299 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.698 15.460 1.358 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.672 12.873 2.679 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.148 11.933 1.671 1.00 0.00 C ATOM 1016 C ARG A 66 -2.547 12.250 0.305 1.00 0.00 C ATOM 1017 O ARG A 66 -1.951 11.385 -0.336 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.675 11.971 1.588 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.366 11.518 2.864 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.866 11.374 2.665 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.476 10.529 3.688 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.594 9.837 3.500 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -9.221 9.889 2.332 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -9.087 9.090 4.479 1.00 0.00 N ATOM 0 H ARG A 66 -3.369 13.132 3.378 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.831 10.933 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.992 12.987 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.001 11.337 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.948 10.565 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.171 12.237 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.330 12.360 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.062 10.949 1.680 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.018 10.467 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.845 10.461 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.079 9.357 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.607 9.046 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.946 8.559 4.333 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.707 13.494 -0.133 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.181 13.924 -1.423 1.00 0.00 C ATOM 1040 C GLN A 67 -0.828 13.277 -1.701 1.00 0.00 C ATOM 1041 O GLN A 67 -0.663 12.562 -2.689 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.049 15.447 -1.463 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.082 16.024 -2.868 1.00 0.00 C ATOM 1044 CD GLN A 67 -0.848 15.670 -3.674 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -0.896 14.820 -4.564 1.00 0.00 O ATOM 1046 NE2 GLN A 67 0.267 16.321 -3.366 1.00 0.00 N ATOM 0 H GLN A 67 -3.197 14.222 0.387 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.881 13.608 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.856 15.889 -0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.114 15.735 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.968 15.657 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.174 17.109 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.262 17.018 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.129 16.125 -3.874 1.00 0.00 H new ATOM 1055 N GLN A 68 0.137 13.535 -0.824 1.00 0.00 N ATOM 1056 CA GLN A 68 1.476 12.978 -0.977 1.00 0.00 C ATOM 1057 C GLN A 68 1.430 11.455 -1.023 1.00 0.00 C ATOM 1058 O GLN A 68 2.109 10.826 -1.836 1.00 0.00 O ATOM 1059 CB GLN A 68 2.377 13.439 0.170 1.00 0.00 C ATOM 1060 CG GLN A 68 2.834 14.884 0.042 1.00 0.00 C ATOM 1061 CD GLN A 68 4.034 15.196 0.914 1.00 0.00 C ATOM 1062 OE1 GLN A 68 5.175 14.926 0.540 1.00 0.00 O ATOM 1063 NE2 GLN A 68 3.781 15.768 2.086 1.00 0.00 N ATOM 0 H GLN A 68 0.017 14.126 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 68 1.887 13.339 -1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.842 13.318 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.253 12.792 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.082 15.092 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.012 15.546 0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.819 15.974 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.549 16.001 2.716 1.00 0.00 H new ATOM 1072 N THR A 69 0.626 10.865 -0.143 1.00 0.00 N ATOM 1073 CA THR A 69 0.493 9.415 -0.082 1.00 0.00 C ATOM 1074 C THR A 69 0.140 8.837 -1.447 1.00 0.00 C ATOM 1075 O THR A 69 0.809 7.927 -1.939 1.00 0.00 O ATOM 1076 CB THR A 69 -0.583 8.992 0.936 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.332 9.614 2.201 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.606 7.480 1.104 1.00 0.00 C ATOM 0 H THR A 69 0.057 11.370 0.537 1.00 0.00 H new ATOM 0 HA THR A 69 1.459 9.022 0.237 1.00 0.00 H new ATOM 0 HB THR A 69 -1.554 9.314 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.245 9.035 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.374 7.206 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.827 7.011 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.366 7.139 1.460 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.914 9.370 -2.056 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.355 8.907 -3.366 1.00 0.00 C ATOM 1088 C ILE A 70 -0.241 9.043 -4.399 1.00 0.00 C ATOM 1089 O ILE A 70 0.011 8.123 -5.177 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.590 9.688 -3.853 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.766 9.471 -2.898 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.962 9.262 -5.265 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.905 10.443 -3.113 1.00 0.00 C ATOM 0 H ILE A 70 -1.479 10.123 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.621 7.856 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.348 10.751 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.139 8.454 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.411 9.561 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.836 9.822 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.127 9.462 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.189 8.196 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.704 10.231 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.547 11.462 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.286 10.338 -4.129 1.00 0.00 H new ATOM 1105 N GLN A 71 0.421 10.195 -4.399 1.00 0.00 N ATOM 1106 CA GLN A 71 1.509 10.450 -5.337 1.00 0.00 C ATOM 1107 C GLN A 71 2.587 9.377 -5.225 1.00 0.00 C ATOM 1108 O GLN A 71 3.115 8.905 -6.232 1.00 0.00 O ATOM 1109 CB GLN A 71 2.117 11.830 -5.081 1.00 0.00 C ATOM 1110 CG GLN A 71 1.175 12.979 -5.403 1.00 0.00 C ATOM 1111 CD GLN A 71 1.910 14.275 -5.686 1.00 0.00 C ATOM 1112 OE1 GLN A 71 2.656 14.775 -4.843 1.00 0.00 O ATOM 1113 NE2 GLN A 71 1.704 14.826 -6.876 1.00 0.00 N ATOM 0 H GLN A 71 0.224 10.966 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 71 1.099 10.423 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.415 11.898 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.023 11.935 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.567 12.714 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.491 13.128 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.077 14.377 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.172 15.698 -7.122 1.00 0.00 H new ATOM 1122 N LEU A 72 2.910 8.997 -3.994 1.00 0.00 N ATOM 1123 CA LEU A 72 3.926 7.979 -3.749 1.00 0.00 C ATOM 1124 C LEU A 72 3.485 6.626 -4.298 1.00 0.00 C ATOM 1125 O LEU A 72 4.244 5.949 -4.993 1.00 0.00 O ATOM 1126 CB LEU A 72 4.213 7.866 -2.251 1.00 0.00 C ATOM 1127 CG LEU A 72 5.326 6.897 -1.852 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.686 7.455 -2.244 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.275 6.612 -0.358 1.00 0.00 C ATOM 0 H LEU A 72 2.483 9.378 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 72 4.838 8.280 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.469 8.856 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.296 7.561 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 72 5.173 5.959 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.466 6.752 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.720 7.607 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.848 8.407 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.074 5.920 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.402 7.543 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.312 6.168 -0.105 1.00 0.00 H new ATOM 1141 N LEU A 73 2.254 6.239 -3.984 1.00 0.00 N ATOM 1142 CA LEU A 73 1.710 4.968 -4.448 1.00 0.00 C ATOM 1143 C LEU A 73 2.052 4.732 -5.915 1.00 0.00 C ATOM 1144 O LEU A 73 2.539 3.663 -6.285 1.00 0.00 O ATOM 1145 CB LEU A 73 0.192 4.939 -4.255 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.430 3.560 -4.034 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.193 3.089 -2.608 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -1.919 3.591 -4.346 1.00 0.00 C ATOM 0 H LEU A 73 1.614 6.787 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 73 2.161 4.171 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.058 5.569 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.274 5.390 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 73 0.049 2.854 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.643 2.106 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.879 3.027 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.645 3.796 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.346 2.601 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.413 4.311 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.067 3.883 -5.386 1.00 0.00 H new ATOM 1160 N ARG A 74 1.795 5.736 -6.746 1.00 0.00 N ATOM 1161 CA ARG A 74 2.077 5.639 -8.173 1.00 0.00 C ATOM 1162 C ARG A 74 3.391 4.902 -8.419 1.00 0.00 C ATOM 1163 O ARG A 74 3.490 4.070 -9.321 1.00 0.00 O ATOM 1164 CB ARG A 74 2.138 7.033 -8.800 1.00 0.00 C ATOM 1165 CG ARG A 74 0.797 7.748 -8.824 1.00 0.00 C ATOM 1166 CD ARG A 74 0.960 9.226 -9.142 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.278 9.818 -9.642 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.473 11.127 -9.756 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.484 11.976 -9.409 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.627 11.590 -10.219 1.00 0.00 N ATOM 0 H ARG A 74 1.392 6.627 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 74 1.270 5.074 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.854 7.640 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.513 6.948 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.149 7.284 -9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.305 7.635 -7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.279 9.757 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.748 9.352 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.034 9.192 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.373 11.625 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.331 12.981 -9.498 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.366 10.940 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.775 12.595 -10.306 1.00 0.00 H new ATOM 1184 N LYS A 75 4.398 5.213 -7.610 1.00 0.00 N ATOM 1185 CA LYS A 75 5.706 4.581 -7.737 1.00 0.00 C ATOM 1186 C LYS A 75 5.627 3.095 -7.400 1.00 0.00 C ATOM 1187 O LYS A 75 6.227 2.262 -8.079 1.00 0.00 O ATOM 1188 CB LYS A 75 6.720 5.270 -6.822 1.00 0.00 C ATOM 1189 CG LYS A 75 7.450 6.426 -7.484 1.00 0.00 C ATOM 1190 CD LYS A 75 8.610 6.913 -6.632 1.00 0.00 C ATOM 1191 CE LYS A 75 9.665 7.614 -7.475 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.534 6.642 -8.195 1.00 0.00 N ATOM 0 H LYS A 75 4.333 5.900 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 75 6.033 4.684 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.205 5.637 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.451 4.535 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.820 6.113 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.754 7.247 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.240 7.597 -5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.061 6.068 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.177 8.269 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.280 8.247 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.240 7.158 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.019 6.033 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.951 6.055 -8.825 1.00 0.00 H new ATOM 1206 N PHE A 76 4.884 2.771 -6.347 1.00 0.00 N ATOM 1207 CA PHE A 76 4.726 1.386 -5.920 1.00 0.00 C ATOM 1208 C PHE A 76 4.249 0.511 -7.075 1.00 0.00 C ATOM 1209 O PHE A 76 4.874 -0.498 -7.405 1.00 0.00 O ATOM 1210 CB PHE A 76 3.737 1.298 -4.756 1.00 0.00 C ATOM 1211 CG PHE A 76 4.333 1.679 -3.432 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.160 2.786 -3.322 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.068 0.931 -2.296 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.710 3.140 -2.105 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.615 1.281 -1.076 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.438 2.386 -0.980 1.00 0.00 C ATOM 0 H PHE A 76 4.382 3.449 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 76 5.699 1.021 -5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.886 1.948 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.353 0.280 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.377 3.379 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.427 0.065 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.352 4.005 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.399 0.691 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.868 2.660 -0.028 1.00 0.00 H new ATOM 1226 N LEU A 77 3.138 0.904 -7.687 1.00 0.00 N ATOM 1227 CA LEU A 77 2.575 0.157 -8.806 1.00 0.00 C ATOM 1228 C LEU A 77 3.597 0.004 -9.928 1.00 0.00 C ATOM 1229 O LEU A 77 3.615 -1.005 -10.634 1.00 0.00 O ATOM 1230 CB LEU A 77 1.321 0.857 -9.334 1.00 0.00 C ATOM 1231 CG LEU A 77 0.764 0.329 -10.656 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.229 -1.084 -10.483 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.325 1.253 -11.183 1.00 0.00 C ATOM 0 H LEU A 77 2.609 1.736 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 77 2.305 -0.836 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.540 0.780 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.544 1.917 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 77 1.574 0.302 -11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.163 -1.443 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.034 -1.740 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.568 -1.083 -9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.710 0.862 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.135 1.312 -10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.089 2.248 -11.346 1.00 0.00 H new ATOM 1245 N LYS A 78 4.448 1.012 -10.087 1.00 0.00 N ATOM 1246 CA LYS A 78 5.476 0.990 -11.121 1.00 0.00 C ATOM 1247 C LYS A 78 6.616 0.053 -10.734 1.00 0.00 C ATOM 1248 O LYS A 78 7.159 -0.660 -11.577 1.00 0.00 O ATOM 1249 CB LYS A 78 6.019 2.401 -11.359 1.00 0.00 C ATOM 1250 CG LYS A 78 7.294 2.431 -12.183 1.00 0.00 C ATOM 1251 CD LYS A 78 7.612 3.835 -12.669 1.00 0.00 C ATOM 1252 CE LYS A 78 8.280 4.663 -11.582 1.00 0.00 C ATOM 1253 NZ LYS A 78 9.077 5.785 -12.151 1.00 0.00 N ATOM 0 H LYS A 78 4.446 1.855 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 78 5.023 0.622 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.256 2.994 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.207 2.876 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.124 2.056 -11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.191 1.764 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.265 3.780 -13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.694 4.327 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.520 5.062 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.929 4.023 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.516 6.325 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.819 5.404 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.453 6.410 -12.700 1.00 0.00 H new ATOM 1267 N ASN A 79 6.974 0.061 -9.454 1.00 0.00 N ATOM 1268 CA ASN A 79 8.049 -0.789 -8.956 1.00 0.00 C ATOM 1269 C ASN A 79 7.586 -2.238 -8.835 1.00 0.00 C ATOM 1270 O ASN A 79 8.315 -3.094 -8.333 1.00 0.00 O ATOM 1271 CB ASN A 79 8.539 -0.284 -7.597 1.00 0.00 C ATOM 1272 CG ASN A 79 9.520 0.865 -7.727 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.725 0.691 -7.544 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.007 2.048 -8.045 1.00 0.00 N ATOM 0 H ASN A 79 6.535 0.647 -8.743 1.00 0.00 H new ATOM 0 HA ASN A 79 8.871 -0.747 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.684 0.037 -7.002 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.013 -1.104 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.618 2.858 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.002 2.146 -8.188 1.00 0.00 H new ATOM 1281 N HIS A 80 6.370 -2.505 -9.300 1.00 0.00 N ATOM 1282 CA HIS A 80 5.809 -3.851 -9.245 1.00 0.00 C ATOM 1283 C HIS A 80 5.555 -4.275 -7.802 1.00 0.00 C ATOM 1284 O HIS A 80 5.660 -5.454 -7.463 1.00 0.00 O ATOM 1285 CB HIS A 80 6.751 -4.846 -9.924 1.00 0.00 C ATOM 1286 CG HIS A 80 6.044 -6.012 -10.544 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.598 -6.782 -11.545 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.822 -6.540 -10.297 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.746 -7.732 -11.889 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.661 -7.607 -11.146 1.00 0.00 N ATOM 0 H HIS A 80 5.754 -1.808 -9.719 1.00 0.00 H new ATOM 0 HA HIS A 80 4.857 -3.844 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.322 -4.326 -10.694 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.468 -5.214 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.107 -6.188 -9.568 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.909 -8.483 -12.648 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.837 -8.206 -11.195 1.00 0.00 H new ATOM 1298 N VAL A 81 5.221 -3.307 -6.955 1.00 0.00 N ATOM 1299 CA VAL A 81 4.951 -3.580 -5.549 1.00 0.00 C ATOM 1300 C VAL A 81 3.531 -4.098 -5.352 1.00 0.00 C ATOM 1301 O VAL A 81 3.277 -4.927 -4.478 1.00 0.00 O ATOM 1302 CB VAL A 81 5.152 -2.322 -4.684 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.842 -2.621 -3.225 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.569 -1.790 -4.839 1.00 0.00 C ATOM 0 H VAL A 81 5.131 -2.326 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 81 5.660 -4.345 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 81 4.460 -1.553 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.990 -1.720 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.807 -2.951 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.507 -3.407 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.693 -0.901 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.281 -2.553 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.749 -1.534 -5.883 1.00 0.00 H new ATOM 1314 N ILE A 82 2.608 -3.602 -6.170 1.00 0.00 N ATOM 1315 CA ILE A 82 1.213 -4.016 -6.086 1.00 0.00 C ATOM 1316 C ILE A 82 0.599 -4.162 -7.474 1.00 0.00 C ATOM 1317 O ILE A 82 0.741 -3.281 -8.322 1.00 0.00 O ATOM 1318 CB ILE A 82 0.376 -3.013 -5.270 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.538 -1.601 -5.836 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.784 -3.052 -3.805 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.437 -0.601 -5.254 1.00 0.00 C ATOM 0 H ILE A 82 2.801 -2.914 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 82 1.200 -4.982 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.674 -3.295 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.555 -1.257 -5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.409 -1.635 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.184 -2.338 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.622 -4.055 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.838 -2.792 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.264 0.378 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.457 -0.922 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.293 -0.538 -4.175 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.087 -5.279 -7.698 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.724 -5.539 -8.983 1.00 0.00 C ATOM 1335 C GLU A 83 -2.243 -5.462 -8.863 1.00 0.00 C ATOM 1336 O GLU A 83 -2.817 -5.862 -7.850 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.312 -6.914 -9.513 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.267 -7.478 -10.551 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.786 -8.793 -11.134 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.368 -8.844 -11.607 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.564 -9.770 -11.117 1.00 0.00 O ATOM 0 H GLU A 83 -0.215 -6.018 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.393 -4.773 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.684 -6.842 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.244 -7.611 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.247 -7.623 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.393 -6.753 -11.355 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.887 -4.945 -9.904 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.340 -4.815 -9.916 1.00 0.00 C ATOM 1350 C ASP A 84 -5.008 -6.185 -9.860 1.00 0.00 C ATOM 1351 O ASP A 84 -4.395 -7.200 -10.195 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.795 -4.063 -11.168 1.00 0.00 C ATOM 1353 CG ASP A 84 -6.300 -4.092 -11.345 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -7.006 -3.448 -10.541 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.773 -4.759 -12.289 1.00 0.00 O ATOM 0 H ASP A 84 -2.426 -4.609 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.637 -4.249 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.459 -3.028 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.320 -4.503 -12.045 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.266 -6.207 -9.433 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.017 -7.452 -9.333 1.00 0.00 C ATOM 1362 C ILE A 85 -6.909 -8.264 -10.619 1.00 0.00 C ATOM 1363 O ILE A 85 -6.725 -9.481 -10.585 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.504 -7.191 -9.028 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.304 -8.491 -9.128 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.063 -6.143 -9.979 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.471 -8.557 -8.168 1.00 0.00 C ATOM 0 H ILE A 85 -6.787 -5.377 -9.151 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.580 -8.018 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.590 -6.812 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.675 -8.602 -10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.639 -9.333 -8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.115 -5.969 -9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.508 -5.212 -9.862 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.968 -6.496 -11.006 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.993 -9.506 -8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.105 -8.477 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.157 -7.735 -8.373 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.023 -7.583 -11.754 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.936 -8.239 -13.054 1.00 0.00 C ATOM 1381 C LYS A 86 -5.510 -8.704 -13.333 1.00 0.00 C ATOM 1382 O LYS A 86 -5.284 -9.853 -13.710 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.400 -7.288 -14.160 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.888 -7.374 -14.450 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.716 -6.932 -13.255 1.00 0.00 C ATOM 1386 CE LYS A 86 -11.147 -6.608 -13.657 1.00 0.00 C ATOM 1387 NZ LYS A 86 -12.078 -6.676 -12.497 1.00 0.00 N ATOM 0 H LYS A 86 -7.176 -6.576 -11.800 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.588 -9.112 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.152 -6.265 -13.876 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.847 -7.508 -15.073 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.128 -6.750 -15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.149 -8.398 -14.716 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.718 -7.719 -12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.258 -6.055 -12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.184 -5.610 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.475 -7.306 -14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.043 -6.449 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.062 -7.635 -12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.781 -5.992 -11.773 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.551 -7.803 -13.145 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.159 -8.141 -13.380 1.00 0.00 C ATOM 1403 C GLY A 87 -2.436 -7.086 -14.195 1.00 0.00 C ATOM 1404 O GLY A 87 -1.716 -7.408 -15.140 1.00 0.00 O ATOM 0 H GLY A 87 -4.713 -6.845 -12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.652 -8.267 -12.423 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.103 -9.098 -13.899 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.630 -5.823 -13.830 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.993 -4.718 -14.536 1.00 0.00 C ATOM 1410 C ARG A 88 -0.884 -4.100 -13.690 1.00 0.00 C ATOM 1411 O ARG A 88 -1.128 -3.617 -12.585 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.029 -3.651 -14.896 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.784 -3.944 -16.183 1.00 0.00 C ATOM 1414 CD ARG A 88 -2.932 -3.649 -17.408 1.00 0.00 C ATOM 1415 NE ARG A 88 -3.742 -3.504 -18.615 1.00 0.00 N ATOM 1416 CZ ARG A 88 -3.275 -3.709 -19.841 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -2.011 -4.065 -20.023 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -4.074 -3.556 -20.890 1.00 0.00 N ATOM 0 H ARG A 88 -3.223 -5.540 -13.050 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.552 -5.111 -15.452 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.744 -3.560 -14.078 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.528 -2.687 -14.990 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.092 -4.990 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.693 -3.344 -16.218 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.362 -2.735 -17.242 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.210 -4.453 -17.550 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.719 -3.231 -18.510 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.393 -4.182 -19.220 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.656 -4.222 -20.966 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.047 -3.281 -20.754 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.715 -3.713 -21.832 1.00 0.00 H new ATOM 1432 N TRP A 89 0.335 -4.120 -14.217 1.00 0.00 N ATOM 1433 CA TRP A 89 1.483 -3.562 -13.510 1.00 0.00 C ATOM 1434 C TRP A 89 2.423 -2.850 -14.476 1.00 0.00 C ATOM 1435 O TRP A 89 2.464 -3.166 -15.664 1.00 0.00 O ATOM 1436 CB TRP A 89 2.235 -4.666 -12.767 1.00 0.00 C ATOM 1437 CG TRP A 89 3.315 -5.305 -13.587 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.198 -6.412 -14.378 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.677 -4.876 -13.693 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.404 -6.696 -14.971 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.328 -5.769 -14.567 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.410 -3.824 -13.137 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.675 -5.640 -14.895 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.747 -3.698 -13.463 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.368 -4.601 -14.336 1.00 0.00 C ATOM 0 H TRP A 89 0.554 -4.516 -15.131 1.00 0.00 H new ATOM 0 HA TRP A 89 1.115 -2.833 -12.788 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.675 -4.250 -11.861 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.525 -5.432 -12.454 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.290 -6.981 -14.517 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.583 -7.472 -15.609 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.940 -3.122 -12.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.156 -6.335 -15.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.323 -2.890 -13.038 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.414 -4.474 -14.572 1.00 0.00 H new ATOM 1456 N GLY A 90 3.179 -1.886 -13.958 1.00 0.00 N ATOM 1457 CA GLY A 90 4.109 -1.145 -14.789 1.00 0.00 C ATOM 1458 C GLY A 90 3.650 0.277 -15.047 1.00 0.00 C ATOM 1459 O GLY A 90 4.443 1.129 -15.446 1.00 0.00 O ATOM 0 H GLY A 90 3.163 -1.605 -12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.087 -1.126 -14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.233 -1.662 -15.741 1.00 0.00 H new ATOM 1463 N SER A 91 2.365 0.532 -14.820 1.00 0.00 N ATOM 1464 CA SER A 91 1.800 1.859 -15.036 1.00 0.00 C ATOM 1465 C SER A 91 1.901 2.705 -13.770 1.00 0.00 C ATOM 1466 O SER A 91 2.164 2.187 -12.686 1.00 0.00 O ATOM 1467 CB SER A 91 0.339 1.749 -15.475 1.00 0.00 C ATOM 1468 OG SER A 91 0.210 0.919 -16.616 1.00 0.00 O ATOM 0 H SER A 91 1.696 -0.162 -14.487 1.00 0.00 H new ATOM 0 HA SER A 91 2.373 2.347 -15.825 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.260 1.346 -14.658 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.053 2.742 -15.697 1.00 0.00 H new ATOM 0 HG SER A 91 -0.733 0.864 -16.875 1.00 0.00 H new ATOM 1474 N GLU A 92 1.689 4.009 -13.919 1.00 0.00 N ATOM 1475 CA GLU A 92 1.756 4.927 -12.788 1.00 0.00 C ATOM 1476 C GLU A 92 0.408 5.602 -12.554 1.00 0.00 C ATOM 1477 O GLU A 92 0.323 6.622 -11.872 1.00 0.00 O ATOM 1478 CB GLU A 92 2.835 5.985 -13.026 1.00 0.00 C ATOM 1479 CG GLU A 92 4.195 5.402 -13.372 1.00 0.00 C ATOM 1480 CD GLU A 92 4.261 4.881 -14.795 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.510 5.690 -15.712 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.064 3.663 -14.990 1.00 0.00 O ATOM 0 H GLU A 92 1.470 4.453 -14.811 1.00 0.00 H new ATOM 0 HA GLU A 92 2.012 4.350 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.515 6.642 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.930 6.602 -12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.960 6.166 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.425 4.591 -12.681 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.643 5.025 -13.127 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.988 5.572 -12.983 1.00 0.00 C ATOM 1491 C ASN A 93 -2.726 4.901 -11.828 1.00 0.00 C ATOM 1492 O ASN A 93 -3.215 3.778 -11.958 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.776 5.391 -14.281 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.516 4.047 -14.933 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -2.194 3.069 -14.258 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -2.654 3.993 -16.253 1.00 0.00 N ATOM 0 H ASN A 93 -0.590 4.179 -13.695 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.900 6.636 -12.765 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.841 5.491 -14.073 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.511 6.187 -14.977 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.491 3.116 -16.747 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.923 4.829 -16.772 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.804 5.597 -10.698 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.485 5.071 -9.521 1.00 0.00 C ATOM 1505 C VAL A 94 -4.127 6.191 -8.711 1.00 0.00 C ATOM 1506 O VAL A 94 -3.515 7.234 -8.480 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.515 4.288 -8.616 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.989 3.056 -9.336 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.369 5.182 -8.165 1.00 0.00 C ATOM 0 H VAL A 94 -2.404 6.527 -10.573 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.262 4.396 -9.879 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.058 3.957 -7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.305 2.516 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.823 2.408 -9.604 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.461 3.360 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.693 4.613 -7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.825 5.544 -9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.767 6.030 -7.608 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.364 5.968 -8.282 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.091 6.958 -7.495 1.00 0.00 C ATOM 1521 C ASP A 95 -7.112 6.285 -6.583 1.00 0.00 C ATOM 1522 O ASP A 95 -7.660 5.234 -6.917 1.00 0.00 O ATOM 1523 CB ASP A 95 -6.792 7.958 -8.416 1.00 0.00 C ATOM 1524 CG ASP A 95 -5.845 8.581 -9.422 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -5.111 9.518 -9.045 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -5.837 8.131 -10.588 1.00 0.00 O ATOM 0 H ASP A 95 -5.885 5.110 -8.466 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.372 7.491 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.600 7.454 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.247 8.745 -7.814 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.361 6.896 -5.430 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.317 6.356 -4.470 1.00 0.00 C ATOM 1533 C ASP A 96 -9.658 6.071 -5.138 1.00 0.00 C ATOM 1534 O ASP A 96 -10.447 6.984 -5.383 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.509 7.330 -3.307 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.553 6.851 -2.317 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.550 6.240 -2.755 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -9.372 7.088 -1.104 1.00 0.00 O ATOM 0 H ASP A 96 -6.914 7.765 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.917 5.417 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.559 7.467 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.803 8.304 -3.698 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.909 4.800 -5.433 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.155 4.396 -6.075 1.00 0.00 C ATOM 1545 C ASN A 97 -11.518 2.962 -5.702 1.00 0.00 C ATOM 1546 O ASN A 97 -10.775 2.287 -4.992 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.034 4.524 -7.595 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.308 5.935 -8.079 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.454 6.384 -8.101 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.253 6.641 -8.471 1.00 0.00 N ATOM 0 H ASN A 97 -9.267 4.032 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.948 5.056 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.032 4.225 -7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.733 3.837 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.375 7.596 -8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.321 6.228 -8.435 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.668 2.503 -6.187 1.00 0.00 N ATOM 1558 CA ASN A 98 -13.131 1.149 -5.905 1.00 0.00 C ATOM 1559 C ASN A 98 -12.251 0.117 -6.603 1.00 0.00 C ATOM 1560 O ASN A 98 -12.391 -1.085 -6.379 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.585 0.982 -6.351 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.698 0.532 -7.795 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.239 -0.536 -8.083 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.187 1.346 -8.710 1.00 0.00 N ATOM 0 H ASN A 98 -13.296 3.049 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 98 -13.067 0.986 -4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.079 0.254 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.112 1.928 -6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.234 1.096 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.748 2.221 -8.425 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.345 0.595 -7.450 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.442 -0.286 -8.181 1.00 0.00 C ATOM 1573 C GLN A 99 -9.697 -1.215 -7.227 1.00 0.00 C ATOM 1574 O GLN A 99 -8.743 -0.805 -6.564 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.442 0.535 -8.997 1.00 0.00 C ATOM 1576 CG GLN A 99 -10.059 1.213 -10.210 1.00 0.00 C ATOM 1577 CD GLN A 99 -10.011 0.343 -11.451 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -10.842 -0.548 -11.630 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -9.037 0.598 -12.316 1.00 0.00 N ATOM 0 H GLN A 99 -11.217 1.588 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.040 -0.895 -8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.997 1.294 -8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.633 -0.117 -9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.095 1.470 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.534 2.148 -10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.370 1.346 -12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.955 0.046 -13.170 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.139 -2.466 -7.162 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.514 -3.453 -6.289 1.00 0.00 C ATOM 1590 C LEU A 100 -8.067 -3.705 -6.699 1.00 0.00 C ATOM 1591 O LEU A 100 -7.638 -3.303 -7.781 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.301 -4.764 -6.322 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.676 -4.739 -5.653 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.596 -5.772 -6.285 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.545 -4.982 -4.157 1.00 0.00 C ATOM 0 H LEU A 100 -10.927 -2.821 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.521 -3.058 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.431 -5.060 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.700 -5.537 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.115 -3.753 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.570 -5.740 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.715 -5.552 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.163 -6.765 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.533 -4.961 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.086 -5.955 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.922 -4.204 -3.715 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.318 -4.376 -5.830 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.919 -4.683 -6.102 1.00 0.00 C ATOM 1609 C PHE A 101 -5.551 -6.063 -5.566 1.00 0.00 C ATOM 1610 O PHE A 101 -6.376 -6.745 -4.959 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.011 -3.622 -5.478 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.871 -2.383 -6.316 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -5.845 -1.398 -6.286 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -3.767 -2.205 -7.134 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -5.720 -0.257 -7.056 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -3.637 -1.066 -7.906 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.614 -0.091 -7.868 1.00 0.00 C ATOM 0 H PHE A 101 -7.657 -4.718 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.776 -4.683 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.406 -3.347 -4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.023 -4.052 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.712 -1.523 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.000 -2.964 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.486 0.504 -7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.771 -0.939 -8.539 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.514 0.799 -8.471 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.306 -6.468 -5.797 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.828 -7.767 -5.339 1.00 0.00 C ATOM 1629 C ARG A 102 -2.303 -7.807 -5.312 1.00 0.00 C ATOM 1630 O ARG A 102 -1.639 -6.995 -5.956 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.362 -8.879 -6.244 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.634 -8.983 -7.575 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.445 -9.769 -8.593 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.591 -10.513 -9.515 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.987 -11.601 -10.167 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.217 -12.068 -10.000 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.152 -12.224 -10.989 1.00 0.00 N ATOM 0 H ARG A 102 -3.611 -5.915 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.196 -7.924 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.282 -9.832 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.422 -8.706 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.434 -7.983 -7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.668 -9.466 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.107 -10.461 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.079 -9.085 -9.157 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.639 -10.179 -9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.862 -11.592 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.518 -12.903 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.205 -11.868 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.457 -13.059 -11.489 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.755 -8.757 -4.561 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.308 -8.902 -4.449 1.00 0.00 C ATOM 1653 C PHE A 103 0.195 -10.042 -5.330 1.00 0.00 C ATOM 1654 O PHE A 103 -0.420 -11.104 -5.425 1.00 0.00 O ATOM 1655 CB PHE A 103 0.089 -9.154 -2.993 1.00 0.00 C ATOM 1656 CG PHE A 103 1.549 -8.931 -2.722 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.040 -7.652 -2.513 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.430 -9.999 -2.676 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.384 -7.443 -2.263 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.774 -9.796 -2.427 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.252 -8.516 -2.221 1.00 0.00 C ATOM 0 H PHE A 103 -2.290 -9.437 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 103 0.152 -7.974 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.496 -8.500 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.169 -10.179 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.366 -6.809 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.062 -11.002 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.754 -6.442 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.450 -10.637 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.302 -8.355 -2.028 1.00 0.00 H new ATOM 1671 N PRO A 104 1.340 -9.817 -5.990 1.00 0.00 N ATOM 1672 CA PRO A 104 1.952 -10.813 -6.876 1.00 0.00 C ATOM 1673 C PRO A 104 2.514 -12.004 -6.108 1.00 0.00 C ATOM 1674 O PRO A 104 2.394 -12.079 -4.885 1.00 0.00 O ATOM 1675 CB PRO A 104 3.080 -10.035 -7.558 1.00 0.00 C ATOM 1676 CG PRO A 104 3.417 -8.941 -6.604 1.00 0.00 C ATOM 1677 CD PRO A 104 2.127 -8.574 -5.924 1.00 0.00 C ATOM 0 HA PRO A 104 1.229 -11.239 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.942 -10.674 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.760 -9.636 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.161 -9.271 -5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.840 -8.084 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.292 -8.257 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.624 -7.752 -6.434 1.00 0.00 H new ATOM 1685 N ALA A 105 3.128 -12.933 -6.833 1.00 0.00 N ATOM 1686 CA ALA A 105 3.712 -14.119 -6.218 1.00 0.00 C ATOM 1687 C ALA A 105 5.226 -13.986 -6.095 1.00 0.00 C ATOM 1688 O ALA A 105 5.866 -13.306 -6.898 1.00 0.00 O ATOM 1689 CB ALA A 105 3.353 -15.360 -7.022 1.00 0.00 C ATOM 0 H ALA A 105 3.234 -12.887 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 105 3.300 -14.217 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.795 -16.238 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.269 -15.472 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.737 -15.260 -8.037 1.00 0.00 H new TER 1695 ALA A 105