USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= 0.916 K(o=2.2,f=-5.8!) USER MOD Set 1.2: A 85 TYR OH : rot -10:sc= 1.32 USER MOD Single : A 1 GLY N :NH3+ 168:sc= 1.18 (180deg=1.15) USER MOD Single : A 3 SER OG : rot 180:sc= 0.125 USER MOD Single : A 9 SER OG : rot 66:sc= 0.942 USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0605) USER MOD Single : A 16 GLN : amide:sc= 0.188 K(o=0.19,f=-6.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0.538 (180deg=0.507) USER MOD Single : A 24 HIS : no HD1:sc= 0.972 K(o=0.97,f=-6.1!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.909 (180deg=0.768) USER MOD Single : A 32 THR OG1 : rot 35:sc= 0.258 USER MOD Single : A 34 THR OG1 : rot -83:sc= 0.919 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 72:sc= 0.934 USER MOD Single : A 50 SER OG : rot 66:sc= 1.24 USER MOD Single : A 51 ASN : amide:sc= 2.07 K(o=2.1,f=-0.02) USER MOD Single : A 53 TYR OH : rot -141:sc= 0.541 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00103) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0408 (180deg=-0.355) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.387 USER MOD Single : A 79 MET CE :methyl 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.895) USER MOD Single : A 90 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0.406) USER MOD Single : A 98 SER OG : rot 122:sc= 0.828 USER MOD Single : A 99 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 130:sc= -0.0466 (180deg=-0.392) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0727) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.897 K(o=0.9,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.167 -5.537 8.675 1.00 0.00 N ATOM 2 CA GLY A 1 0.068 -6.241 9.049 1.00 0.00 C ATOM 3 C GLY A 1 0.437 -7.254 7.968 1.00 0.00 C ATOM 4 O GLY A 1 -0.395 -7.520 7.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.523 -5.003 9.493 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.969 -4.881 7.893 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.883 -6.228 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.879 -5.525 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.067 -6.749 10.004 1.00 0.00 H new ATOM 10 N GLY A 2 1.648 -7.818 8.020 1.00 0.00 N ATOM 11 CA GLY A 2 2.112 -8.820 7.070 1.00 0.00 C ATOM 12 C GLY A 2 2.047 -8.299 5.635 1.00 0.00 C ATOM 13 O GLY A 2 2.844 -7.448 5.248 1.00 0.00 O ATOM 0 H GLY A 2 2.338 -7.585 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.137 -9.104 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.503 -9.719 7.160 1.00 0.00 H new ATOM 17 N SER A 3 1.100 -8.801 4.844 1.00 0.00 N ATOM 18 CA SER A 3 0.896 -8.405 3.461 1.00 0.00 C ATOM 19 C SER A 3 0.304 -6.996 3.358 1.00 0.00 C ATOM 20 O SER A 3 0.403 -6.372 2.303 1.00 0.00 O ATOM 21 CB SER A 3 -0.018 -9.452 2.821 1.00 0.00 C ATOM 22 OG SER A 3 -0.937 -9.950 3.781 1.00 0.00 O ATOM 0 H SER A 3 0.440 -9.512 5.160 1.00 0.00 H new ATOM 0 HA SER A 3 1.849 -8.363 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.558 -9.011 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.579 -10.270 2.419 1.00 0.00 H new ATOM 0 HG SER A 3 -1.519 -10.618 3.361 1.00 0.00 H new ATOM 28 N VAL A 4 -0.324 -6.503 4.429 1.00 0.00 N ATOM 29 CA VAL A 4 -0.906 -5.173 4.507 1.00 0.00 C ATOM 30 C VAL A 4 0.049 -4.295 5.312 1.00 0.00 C ATOM 31 O VAL A 4 0.120 -4.475 6.531 1.00 0.00 O ATOM 32 CB VAL A 4 -2.289 -5.278 5.181 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.839 -3.900 5.566 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.279 -6.007 4.265 1.00 0.00 C ATOM 0 H VAL A 4 -0.442 -7.040 5.288 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.046 -4.731 3.520 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.163 -5.853 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.815 -4.017 6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.154 -3.417 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.940 -3.286 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.250 -6.072 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.382 -5.457 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.910 -7.011 4.056 1.00 0.00 H new ATOM 44 N ILE A 5 0.776 -3.365 4.679 1.00 0.00 N ATOM 45 CA ILE A 5 1.702 -2.496 5.399 1.00 0.00 C ATOM 46 C ILE A 5 1.575 -1.052 4.923 1.00 0.00 C ATOM 47 O ILE A 5 1.318 -0.780 3.753 1.00 0.00 O ATOM 48 CB ILE A 5 3.152 -3.002 5.258 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.432 -3.466 3.819 1.00 0.00 C ATOM 50 CG2 ILE A 5 3.377 -4.148 6.258 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.915 -3.695 3.510 1.00 0.00 C ATOM 0 H ILE A 5 0.738 -3.199 3.673 1.00 0.00 H new ATOM 0 HA ILE A 5 1.439 -2.523 6.457 1.00 0.00 H new ATOM 0 HB ILE A 5 3.844 -2.189 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.887 -4.392 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.039 -2.722 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.400 -4.514 6.168 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.210 -3.784 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.681 -4.959 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.025 -4.020 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.465 -2.766 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.311 -4.462 4.176 1.00 0.00 H new ATOM 63 N VAL A 6 1.778 -0.136 5.875 1.00 0.00 N ATOM 64 CA VAL A 6 1.754 1.311 5.700 1.00 0.00 C ATOM 65 C VAL A 6 3.171 1.859 5.946 1.00 0.00 C ATOM 66 O VAL A 6 3.365 3.023 6.284 1.00 0.00 O ATOM 67 CB VAL A 6 0.694 1.940 6.633 1.00 0.00 C ATOM 68 CG1 VAL A 6 0.322 3.368 6.197 1.00 0.00 C ATOM 69 CG2 VAL A 6 -0.607 1.125 6.626 1.00 0.00 C ATOM 0 H VAL A 6 1.974 -0.404 6.840 1.00 0.00 H new ATOM 0 HA VAL A 6 1.465 1.575 4.683 1.00 0.00 H new ATOM 0 HB VAL A 6 1.143 1.951 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.425 3.774 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.211 3.998 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.084 3.346 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.333 1.592 7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.011 1.093 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.403 0.110 6.967 1.00 0.00 H new ATOM 79 N ILE A 7 4.174 0.994 5.786 1.00 0.00 N ATOM 80 CA ILE A 7 5.583 1.323 5.935 1.00 0.00 C ATOM 81 C ILE A 7 6.048 1.976 4.631 1.00 0.00 C ATOM 82 O ILE A 7 5.388 1.818 3.606 1.00 0.00 O ATOM 83 CB ILE A 7 6.345 0.023 6.271 1.00 0.00 C ATOM 84 CG1 ILE A 7 7.739 0.296 6.855 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.462 -0.865 5.026 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.391 -0.993 7.370 1.00 0.00 C ATOM 0 H ILE A 7 4.018 0.016 5.542 1.00 0.00 H new ATOM 0 HA ILE A 7 5.771 2.028 6.745 1.00 0.00 H new ATOM 0 HB ILE A 7 5.767 -0.496 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.373 0.747 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.660 1.016 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.002 -1.778 5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.465 -1.121 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.002 -0.329 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.376 -0.765 7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.768 -1.429 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.493 -1.702 6.549 1.00 0.00 H new ATOM 98 N ASP A 8 7.178 2.687 4.640 1.00 0.00 N ATOM 99 CA ASP A 8 7.738 3.310 3.448 1.00 0.00 C ATOM 100 C ASP A 8 8.434 2.189 2.682 1.00 0.00 C ATOM 101 O ASP A 8 9.643 1.978 2.764 1.00 0.00 O ATOM 102 CB ASP A 8 8.676 4.458 3.826 1.00 0.00 C ATOM 103 CG ASP A 8 9.124 5.222 2.585 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.247 5.494 1.733 1.00 0.00 O ATOM 105 OD2 ASP A 8 10.332 5.530 2.516 1.00 0.00 O ATOM 0 H ASP A 8 7.731 2.845 5.483 1.00 0.00 H new ATOM 0 HA ASP A 8 6.974 3.769 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.170 5.136 4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.547 4.064 4.350 1.00 0.00 H new ATOM 110 N SER A 9 7.592 1.419 2.011 1.00 0.00 N ATOM 111 CA SER A 9 7.874 0.170 1.333 1.00 0.00 C ATOM 112 C SER A 9 8.924 0.247 0.223 1.00 0.00 C ATOM 113 O SER A 9 8.600 0.191 -0.958 1.00 0.00 O ATOM 114 CB SER A 9 6.568 -0.394 0.774 1.00 0.00 C ATOM 115 OG SER A 9 5.514 -0.368 1.728 1.00 0.00 O ATOM 0 H SER A 9 6.609 1.677 1.921 1.00 0.00 H new ATOM 0 HA SER A 9 8.312 -0.486 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.274 0.181 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.730 -1.420 0.444 1.00 0.00 H new ATOM 0 HG SER A 9 5.282 0.562 1.934 1.00 0.00 H new ATOM 121 N LYS A 10 10.184 0.393 0.607 1.00 0.00 N ATOM 122 CA LYS A 10 11.347 0.227 -0.254 1.00 0.00 C ATOM 123 C LYS A 10 11.835 -1.218 -0.135 1.00 0.00 C ATOM 124 O LYS A 10 11.797 -2.007 -1.074 1.00 0.00 O ATOM 125 CB LYS A 10 12.395 1.232 0.204 1.00 0.00 C ATOM 126 CG LYS A 10 13.833 0.971 -0.279 1.00 0.00 C ATOM 127 CD LYS A 10 13.926 0.799 -1.804 1.00 0.00 C ATOM 128 CE LYS A 10 15.371 0.566 -2.262 1.00 0.00 C ATOM 129 NZ LYS A 10 15.899 -0.724 -1.781 1.00 0.00 N ATOM 0 H LYS A 10 10.434 0.640 1.564 1.00 0.00 H new ATOM 0 HA LYS A 10 11.121 0.412 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.093 2.223 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.397 1.255 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.471 1.800 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.218 0.075 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.306 -0.042 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.527 1.687 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.416 0.593 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.003 1.376 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.824 -0.906 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.008 -0.691 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.239 -1.486 -2.035 1.00 0.00 H new ATOM 143 N ALA A 11 12.330 -1.544 1.059 1.00 0.00 N ATOM 144 CA ALA A 11 12.838 -2.872 1.383 1.00 0.00 C ATOM 145 C ALA A 11 11.658 -3.821 1.585 1.00 0.00 C ATOM 146 O ALA A 11 11.594 -4.898 0.992 1.00 0.00 O ATOM 147 CB ALA A 11 13.711 -2.796 2.639 1.00 0.00 C ATOM 0 H ALA A 11 12.389 -0.885 1.835 1.00 0.00 H new ATOM 0 HA ALA A 11 13.453 -3.251 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.090 -3.789 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.549 -2.122 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.117 -2.422 3.473 1.00 0.00 H new ATOM 153 N ALA A 12 10.699 -3.386 2.413 1.00 0.00 N ATOM 154 CA ALA A 12 9.489 -4.144 2.697 1.00 0.00 C ATOM 155 C ALA A 12 8.786 -4.502 1.386 1.00 0.00 C ATOM 156 O ALA A 12 8.269 -5.602 1.246 1.00 0.00 O ATOM 157 CB ALA A 12 8.576 -3.334 3.619 1.00 0.00 C ATOM 0 H ALA A 12 10.748 -2.493 2.903 1.00 0.00 H new ATOM 0 HA ALA A 12 9.745 -5.072 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.672 -3.905 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.097 -3.123 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.308 -2.396 3.133 1.00 0.00 H new ATOM 163 N TRP A 13 8.800 -3.582 0.414 1.00 0.00 N ATOM 164 CA TRP A 13 8.257 -3.804 -0.921 1.00 0.00 C ATOM 165 C TRP A 13 8.774 -5.135 -1.463 1.00 0.00 C ATOM 166 O TRP A 13 7.982 -5.998 -1.829 1.00 0.00 O ATOM 167 CB TRP A 13 8.609 -2.588 -1.806 1.00 0.00 C ATOM 168 CG TRP A 13 8.897 -2.721 -3.280 1.00 0.00 C ATOM 169 CD1 TRP A 13 9.984 -3.314 -3.832 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.240 -2.041 -4.397 1.00 0.00 C ATOM 171 NE1 TRP A 13 9.970 -3.176 -5.201 1.00 0.00 N ATOM 172 CE2 TRP A 13 8.933 -2.365 -5.602 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.172 -1.126 -4.511 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.556 -1.859 -6.853 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.824 -0.563 -5.755 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.485 -0.956 -6.931 1.00 0.00 C ATOM 0 H TRP A 13 9.196 -2.650 0.540 1.00 0.00 H new ATOM 0 HA TRP A 13 7.170 -3.883 -0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.784 -1.882 -1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.484 -2.117 -1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 13 10.755 -3.825 -3.274 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.638 -3.616 -5.834 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.611 -0.852 -3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.083 -2.160 -7.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.041 0.179 -5.805 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.171 -0.566 -7.888 1.00 0.00 H new ATOM 187 N ASP A 14 10.094 -5.321 -1.454 1.00 0.00 N ATOM 188 CA ASP A 14 10.725 -6.524 -1.977 1.00 0.00 C ATOM 189 C ASP A 14 10.369 -7.736 -1.129 1.00 0.00 C ATOM 190 O ASP A 14 9.988 -8.782 -1.648 1.00 0.00 O ATOM 191 CB ASP A 14 12.241 -6.340 -1.984 1.00 0.00 C ATOM 192 CG ASP A 14 12.918 -7.458 -2.763 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.932 -7.347 -4.008 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.404 -8.400 -2.100 1.00 0.00 O ATOM 0 H ASP A 14 10.754 -4.638 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 14 10.363 -6.691 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.493 -5.377 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.615 -6.326 -0.960 1.00 0.00 H new ATOM 199 N ALA A 15 10.513 -7.583 0.188 1.00 0.00 N ATOM 200 CA ALA A 15 10.228 -8.655 1.134 1.00 0.00 C ATOM 201 C ALA A 15 8.820 -9.215 0.906 1.00 0.00 C ATOM 202 O ALA A 15 8.656 -10.393 0.588 1.00 0.00 O ATOM 203 CB ALA A 15 10.413 -8.149 2.568 1.00 0.00 C ATOM 0 H ALA A 15 10.829 -6.717 0.624 1.00 0.00 H new ATOM 0 HA ALA A 15 10.931 -9.472 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.198 -8.956 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.441 -7.813 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.732 -7.318 2.751 1.00 0.00 H new ATOM 209 N GLN A 16 7.810 -8.357 1.057 1.00 0.00 N ATOM 210 CA GLN A 16 6.410 -8.696 0.853 1.00 0.00 C ATOM 211 C GLN A 16 6.212 -9.233 -0.561 1.00 0.00 C ATOM 212 O GLN A 16 5.564 -10.261 -0.724 1.00 0.00 O ATOM 213 CB GLN A 16 5.509 -7.481 1.112 1.00 0.00 C ATOM 214 CG GLN A 16 4.969 -7.431 2.548 1.00 0.00 C ATOM 215 CD GLN A 16 5.992 -7.062 3.627 1.00 0.00 C ATOM 216 OE1 GLN A 16 7.193 -7.012 3.404 1.00 0.00 O ATOM 217 NE2 GLN A 16 5.525 -6.804 4.844 1.00 0.00 N ATOM 0 H GLN A 16 7.951 -7.385 1.331 1.00 0.00 H new ATOM 0 HA GLN A 16 6.127 -9.471 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.071 -6.569 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.671 -7.502 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.152 -6.710 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.546 -8.405 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.522 -6.847 5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.169 -6.563 5.597 1.00 0.00 H new ATOM 226 N LEU A 17 6.756 -8.552 -1.573 1.00 0.00 N ATOM 227 CA LEU A 17 6.672 -9.003 -2.959 1.00 0.00 C ATOM 228 C LEU A 17 7.089 -10.470 -3.074 1.00 0.00 C ATOM 229 O LEU A 17 6.375 -11.273 -3.673 1.00 0.00 O ATOM 230 CB LEU A 17 7.517 -8.072 -3.851 1.00 0.00 C ATOM 231 CG LEU A 17 7.627 -8.478 -5.331 1.00 0.00 C ATOM 232 CD1 LEU A 17 7.737 -7.220 -6.201 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.847 -9.365 -5.612 1.00 0.00 C ATOM 0 H LEU A 17 7.265 -7.676 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 17 5.640 -8.949 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.094 -7.069 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.522 -8.015 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 17 6.730 -9.049 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.815 -7.508 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.851 -6.601 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.624 -6.655 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.875 -9.621 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.757 -8.828 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.778 -10.278 -5.020 1.00 0.00 H new ATOM 245 N ALA A 18 8.231 -10.826 -2.484 1.00 0.00 N ATOM 246 CA ALA A 18 8.749 -12.180 -2.535 1.00 0.00 C ATOM 247 C ALA A 18 7.814 -13.153 -1.812 1.00 0.00 C ATOM 248 O ALA A 18 7.244 -14.041 -2.446 1.00 0.00 O ATOM 249 CB ALA A 18 10.158 -12.201 -1.943 1.00 0.00 C ATOM 0 H ALA A 18 8.818 -10.178 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 18 8.802 -12.509 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.553 -13.216 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.805 -11.540 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.123 -11.862 -0.908 1.00 0.00 H new ATOM 255 N LYS A 19 7.627 -12.994 -0.494 1.00 0.00 N ATOM 256 CA LYS A 19 6.809 -13.943 0.267 1.00 0.00 C ATOM 257 C LYS A 19 5.359 -13.979 -0.232 1.00 0.00 C ATOM 258 O LYS A 19 4.680 -14.993 -0.085 1.00 0.00 O ATOM 259 CB LYS A 19 6.898 -13.667 1.776 1.00 0.00 C ATOM 260 CG LYS A 19 6.345 -12.311 2.221 1.00 0.00 C ATOM 261 CD LYS A 19 6.555 -12.126 3.730 1.00 0.00 C ATOM 262 CE LYS A 19 6.175 -10.707 4.164 1.00 0.00 C ATOM 263 NZ LYS A 19 6.315 -10.528 5.620 1.00 0.00 N ATOM 0 H LYS A 19 8.023 -12.232 0.057 1.00 0.00 H new ATOM 0 HA LYS A 19 7.217 -14.939 0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.360 -14.453 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.942 -13.734 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.843 -11.510 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.283 -12.247 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.953 -12.852 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.597 -12.321 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.807 -9.986 3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.147 -10.499 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.049 -9.556 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.693 -11.199 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.302 -10.702 5.898 1.00 0.00 H new ATOM 277 N GLY A 20 4.884 -12.888 -0.835 1.00 0.00 N ATOM 278 CA GLY A 20 3.550 -12.788 -1.396 1.00 0.00 C ATOM 279 C GLY A 20 3.362 -13.730 -2.584 1.00 0.00 C ATOM 280 O GLY A 20 2.226 -14.093 -2.875 1.00 0.00 O ATOM 0 H GLY A 20 5.433 -12.036 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.814 -13.022 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.365 -11.762 -1.713 1.00 0.00 H new ATOM 284 N LYS A 21 4.453 -14.114 -3.270 1.00 0.00 N ATOM 285 CA LYS A 21 4.422 -15.008 -4.424 1.00 0.00 C ATOM 286 C LYS A 21 3.398 -14.502 -5.443 1.00 0.00 C ATOM 287 O LYS A 21 2.383 -15.140 -5.705 1.00 0.00 O ATOM 288 CB LYS A 21 4.134 -16.447 -3.968 1.00 0.00 C ATOM 289 CG LYS A 21 5.264 -16.972 -3.070 1.00 0.00 C ATOM 290 CD LYS A 21 5.015 -18.416 -2.607 1.00 0.00 C ATOM 291 CE LYS A 21 3.810 -18.562 -1.667 1.00 0.00 C ATOM 292 NZ LYS A 21 3.961 -17.762 -0.439 1.00 0.00 N ATOM 0 H LYS A 21 5.394 -13.802 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 21 5.395 -15.016 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.189 -16.479 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.025 -17.094 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.208 -16.924 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.363 -16.325 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.861 -19.048 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.907 -18.785 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.904 -18.254 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.684 -19.612 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.148 -17.931 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.837 -18.037 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.004 -16.753 -0.685 1.00 0.00 H new ATOM 306 N GLU A 22 3.694 -13.348 -6.037 1.00 0.00 N ATOM 307 CA GLU A 22 2.866 -12.634 -6.999 1.00 0.00 C ATOM 308 C GLU A 22 2.737 -13.326 -8.367 1.00 0.00 C ATOM 309 O GLU A 22 2.815 -12.662 -9.401 1.00 0.00 O ATOM 310 CB GLU A 22 3.396 -11.189 -7.127 1.00 0.00 C ATOM 311 CG GLU A 22 4.925 -10.968 -7.081 1.00 0.00 C ATOM 312 CD GLU A 22 5.770 -11.783 -8.061 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.669 -13.027 -8.029 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.563 -11.143 -8.782 1.00 0.00 O ATOM 0 H GLU A 22 4.569 -12.860 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 22 1.846 -12.628 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.028 -10.781 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.949 -10.598 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.121 -9.911 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.270 -11.188 -6.071 1.00 0.00 H new ATOM 321 N GLU A 23 2.479 -14.638 -8.402 1.00 0.00 N ATOM 322 CA GLU A 23 2.242 -15.321 -9.672 1.00 0.00 C ATOM 323 C GLU A 23 0.977 -14.725 -10.294 1.00 0.00 C ATOM 324 O GLU A 23 0.941 -14.397 -11.475 1.00 0.00 O ATOM 325 CB GLU A 23 2.177 -16.849 -9.513 1.00 0.00 C ATOM 326 CG GLU A 23 0.948 -17.508 -8.869 1.00 0.00 C ATOM 327 CD GLU A 23 0.758 -17.160 -7.402 1.00 0.00 C ATOM 328 OE1 GLU A 23 1.309 -17.900 -6.559 1.00 0.00 O ATOM 329 OE2 GLU A 23 0.057 -16.155 -7.160 1.00 0.00 O ATOM 0 H GLU A 23 2.430 -15.237 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 23 3.083 -15.158 -10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.292 -17.282 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.048 -17.150 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.057 -17.209 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.036 -18.590 -8.967 1.00 0.00 H new ATOM 336 N HIS A 24 -0.060 -14.575 -9.467 1.00 0.00 N ATOM 337 CA HIS A 24 -1.297 -13.903 -9.843 1.00 0.00 C ATOM 338 C HIS A 24 -1.856 -13.023 -8.726 1.00 0.00 C ATOM 339 O HIS A 24 -2.946 -12.471 -8.868 1.00 0.00 O ATOM 340 CB HIS A 24 -2.335 -14.932 -10.318 1.00 0.00 C ATOM 341 CG HIS A 24 -3.000 -15.683 -9.192 1.00 0.00 C ATOM 342 ND1 HIS A 24 -2.490 -16.886 -8.703 1.00 0.00 N ATOM 343 CD2 HIS A 24 -4.110 -15.349 -8.464 1.00 0.00 C ATOM 344 CE1 HIS A 24 -3.301 -17.217 -7.692 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.283 -16.322 -7.505 1.00 0.00 N ATOM 0 H HIS A 24 -0.060 -14.922 -8.508 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.064 -13.230 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.099 -14.421 -10.904 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.849 -15.646 -10.982 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.735 -14.481 -8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.179 -18.107 -7.092 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.013 -16.356 -6.793 1.00 0.00 H new ATOM 353 N LYS A 25 -1.111 -12.850 -7.636 1.00 0.00 N ATOM 354 CA LYS A 25 -1.566 -12.035 -6.510 1.00 0.00 C ATOM 355 C LYS A 25 -1.268 -10.563 -6.808 1.00 0.00 C ATOM 356 O LYS A 25 -0.134 -10.244 -7.167 1.00 0.00 O ATOM 357 CB LYS A 25 -0.881 -12.427 -5.189 1.00 0.00 C ATOM 358 CG LYS A 25 -0.800 -13.930 -4.905 1.00 0.00 C ATOM 359 CD LYS A 25 -2.123 -14.697 -5.049 1.00 0.00 C ATOM 360 CE LYS A 25 -3.209 -14.157 -4.112 1.00 0.00 C ATOM 361 NZ LYS A 25 -4.359 -15.073 -4.025 1.00 0.00 N ATOM 0 H LYS A 25 -0.188 -13.264 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.636 -12.203 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.131 -12.021 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.415 -11.949 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.067 -14.372 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.425 -14.072 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.469 -14.631 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.954 -15.753 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.789 -14.005 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.546 -13.183 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.993 -14.763 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.876 -15.067 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.021 -16.036 -3.826 1.00 0.00 H new ATOM 375 N PRO A 26 -2.242 -9.649 -6.675 1.00 0.00 N ATOM 376 CA PRO A 26 -2.002 -8.238 -6.927 1.00 0.00 C ATOM 377 C PRO A 26 -1.215 -7.574 -5.794 1.00 0.00 C ATOM 378 O PRO A 26 -1.652 -7.597 -4.640 1.00 0.00 O ATOM 379 CB PRO A 26 -3.392 -7.612 -7.081 1.00 0.00 C ATOM 380 CG PRO A 26 -4.273 -8.510 -6.217 1.00 0.00 C ATOM 381 CD PRO A 26 -3.648 -9.896 -6.376 1.00 0.00 C ATOM 0 HA PRO A 26 -1.390 -8.097 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.409 -6.578 -6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.719 -7.607 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.273 -8.188 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.309 -8.497 -6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.759 -10.485 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.129 -10.455 -7.178 1.00 0.00 H new ATOM 389 N ILE A 27 -0.063 -6.974 -6.121 1.00 0.00 N ATOM 390 CA ILE A 27 0.677 -6.140 -5.188 1.00 0.00 C ATOM 391 C ILE A 27 0.253 -4.710 -5.504 1.00 0.00 C ATOM 392 O ILE A 27 0.728 -4.113 -6.469 1.00 0.00 O ATOM 393 CB ILE A 27 2.196 -6.334 -5.320 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.588 -7.803 -5.105 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.911 -5.435 -4.300 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.068 -8.038 -5.402 1.00 0.00 C ATOM 0 H ILE A 27 0.374 -7.058 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 27 0.454 -6.403 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 27 2.499 -6.056 -6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.372 -8.091 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.981 -8.440 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.989 -5.569 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.658 -4.393 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.594 -5.705 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.309 -9.088 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.277 -7.774 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.675 -7.420 -4.740 1.00 0.00 H new ATOM 408 N VAL A 28 -0.666 -4.168 -4.710 1.00 0.00 N ATOM 409 CA VAL A 28 -1.208 -2.839 -4.896 1.00 0.00 C ATOM 410 C VAL A 28 -0.311 -1.892 -4.114 1.00 0.00 C ATOM 411 O VAL A 28 -0.282 -1.947 -2.884 1.00 0.00 O ATOM 412 CB VAL A 28 -2.661 -2.794 -4.403 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.267 -1.410 -4.667 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.512 -3.850 -5.116 1.00 0.00 C ATOM 0 H VAL A 28 -1.058 -4.656 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.227 -2.549 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.657 -2.999 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.298 -1.391 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.688 -0.652 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.247 -1.202 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.537 -3.799 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.500 -3.663 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.105 -4.841 -4.916 1.00 0.00 H new ATOM 424 N VAL A 29 0.442 -1.044 -4.814 1.00 0.00 N ATOM 425 CA VAL A 29 1.335 -0.099 -4.157 1.00 0.00 C ATOM 426 C VAL A 29 0.826 1.327 -4.331 1.00 0.00 C ATOM 427 O VAL A 29 0.594 1.775 -5.454 1.00 0.00 O ATOM 428 CB VAL A 29 2.782 -0.269 -4.633 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.961 -0.047 -6.132 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.672 0.697 -3.841 1.00 0.00 C ATOM 0 H VAL A 29 0.449 -0.994 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 29 1.339 -0.314 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 29 3.070 -1.304 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.009 -0.184 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.351 -0.764 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.650 0.966 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.706 0.589 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.342 1.721 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.601 0.468 -2.778 1.00 0.00 H new ATOM 440 N ASP A 30 0.664 2.020 -3.201 1.00 0.00 N ATOM 441 CA ASP A 30 0.239 3.407 -3.129 1.00 0.00 C ATOM 442 C ASP A 30 1.466 4.313 -3.083 1.00 0.00 C ATOM 443 O ASP A 30 2.071 4.484 -2.020 1.00 0.00 O ATOM 444 CB ASP A 30 -0.613 3.608 -1.872 1.00 0.00 C ATOM 445 CG ASP A 30 -1.009 5.064 -1.640 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.954 5.846 -2.614 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.361 5.371 -0.479 1.00 0.00 O ATOM 0 H ASP A 30 0.833 1.610 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.354 3.659 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.515 3.001 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.061 3.246 -1.005 1.00 0.00 H new ATOM 452 N PHE A 31 1.841 4.877 -4.230 1.00 0.00 N ATOM 453 CA PHE A 31 2.898 5.867 -4.306 1.00 0.00 C ATOM 454 C PHE A 31 2.248 7.211 -3.995 1.00 0.00 C ATOM 455 O PHE A 31 1.647 7.821 -4.876 1.00 0.00 O ATOM 456 CB PHE A 31 3.534 5.887 -5.696 1.00 0.00 C ATOM 457 CG PHE A 31 4.358 4.666 -6.043 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.728 4.641 -5.720 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.820 3.675 -6.883 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.570 3.673 -6.292 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.670 2.728 -7.479 1.00 0.00 C ATOM 462 CZ PHE A 31 6.046 2.737 -7.200 1.00 0.00 C ATOM 0 H PHE A 31 1.416 4.656 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 31 3.697 5.638 -3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.744 5.996 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.169 6.769 -5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.133 5.368 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.757 3.642 -7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.619 3.648 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.263 1.990 -8.155 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.700 2.026 -7.682 1.00 0.00 H new ATOM 472 N THR A 32 2.345 7.648 -2.743 1.00 0.00 N ATOM 473 CA THR A 32 1.805 8.909 -2.253 1.00 0.00 C ATOM 474 C THR A 32 2.958 9.638 -1.559 1.00 0.00 C ATOM 475 O THR A 32 4.111 9.451 -1.947 1.00 0.00 O ATOM 476 CB THR A 32 0.593 8.609 -1.352 1.00 0.00 C ATOM 477 OG1 THR A 32 0.050 9.809 -0.858 1.00 0.00 O ATOM 478 CG2 THR A 32 0.926 7.728 -0.147 1.00 0.00 C ATOM 0 H THR A 32 2.820 7.113 -2.016 1.00 0.00 H new ATOM 0 HA THR A 32 1.428 9.563 -3.039 1.00 0.00 H new ATOM 0 HB THR A 32 -0.113 8.071 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.137 10.511 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.024 7.560 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.318 6.771 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.674 8.224 0.471 1.00 0.00 H new ATOM 486 N ALA A 33 2.678 10.473 -0.556 1.00 0.00 N ATOM 487 CA ALA A 33 3.702 11.124 0.241 1.00 0.00 C ATOM 488 C ALA A 33 3.097 11.772 1.479 1.00 0.00 C ATOM 489 O ALA A 33 1.896 12.008 1.549 1.00 0.00 O ATOM 490 CB ALA A 33 4.473 12.170 -0.568 1.00 0.00 C ATOM 0 H ALA A 33 1.727 10.713 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 33 4.404 10.350 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.230 12.634 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.956 11.689 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.783 12.933 -0.927 1.00 0.00 H new ATOM 496 N THR A 34 3.949 12.050 2.460 1.00 0.00 N ATOM 497 CA THR A 34 3.591 12.700 3.707 1.00 0.00 C ATOM 498 C THR A 34 3.157 14.146 3.458 1.00 0.00 C ATOM 499 O THR A 34 2.044 14.550 3.784 1.00 0.00 O ATOM 500 CB THR A 34 4.831 12.676 4.614 1.00 0.00 C ATOM 501 OG1 THR A 34 5.986 12.957 3.839 1.00 0.00 O ATOM 502 CG2 THR A 34 4.996 11.308 5.282 1.00 0.00 C ATOM 0 H THR A 34 4.941 11.819 2.403 1.00 0.00 H new ATOM 0 HA THR A 34 2.756 12.178 4.175 1.00 0.00 H new ATOM 0 HB THR A 34 4.704 13.430 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.298 12.135 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.881 11.318 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.116 11.090 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.109 10.540 4.516 1.00 0.00 H new ATOM 510 N TRP A 35 4.079 14.923 2.886 1.00 0.00 N ATOM 511 CA TRP A 35 3.951 16.355 2.653 1.00 0.00 C ATOM 512 C TRP A 35 2.658 16.773 1.940 1.00 0.00 C ATOM 513 O TRP A 35 2.146 17.857 2.216 1.00 0.00 O ATOM 514 CB TRP A 35 5.182 16.836 1.872 1.00 0.00 C ATOM 515 CG TRP A 35 5.367 16.252 0.504 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.125 15.173 0.202 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.788 16.698 -0.761 1.00 0.00 C ATOM 518 NE1 TRP A 35 6.041 14.908 -1.151 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.219 15.811 -1.790 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.938 17.759 -1.143 1.00 0.00 C ATOM 521 CZ2 TRP A 35 4.815 15.957 -3.125 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.532 17.920 -2.482 1.00 0.00 C ATOM 523 CH2 TRP A 35 3.959 17.015 -3.470 1.00 0.00 C ATOM 0 H TRP A 35 4.971 14.552 2.560 1.00 0.00 H new ATOM 0 HA TRP A 35 3.894 16.833 3.631 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.125 17.920 1.777 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.071 16.614 2.463 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.708 14.605 0.912 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.526 14.141 -1.618 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.593 18.459 -0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.158 15.264 -3.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.888 18.744 -2.752 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.629 17.134 -4.492 1.00 0.00 H new ATOM 534 N CYS A 36 2.115 15.961 1.027 1.00 0.00 N ATOM 535 CA CYS A 36 0.923 16.327 0.257 1.00 0.00 C ATOM 536 C CYS A 36 -0.365 16.158 1.074 1.00 0.00 C ATOM 537 O CYS A 36 -1.289 15.480 0.639 1.00 0.00 O ATOM 538 CB CYS A 36 0.884 15.570 -1.085 1.00 0.00 C ATOM 539 SG CYS A 36 1.129 13.775 -1.116 1.00 0.00 S ATOM 0 H CYS A 36 2.487 15.038 0.802 1.00 0.00 H new ATOM 0 HA CYS A 36 0.987 17.390 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.083 15.774 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.643 16.013 -1.730 1.00 0.00 H new ATOM 544 N GLY A 37 -0.444 16.847 2.220 1.00 0.00 N ATOM 545 CA GLY A 37 -1.548 16.920 3.181 1.00 0.00 C ATOM 546 C GLY A 37 -2.621 15.832 3.035 1.00 0.00 C ATOM 547 O GLY A 37 -2.514 14.811 3.714 1.00 0.00 O ATOM 0 H GLY A 37 0.341 17.423 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.135 16.866 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.027 17.894 3.085 1.00 0.00 H new ATOM 551 N PRO A 38 -3.660 16.029 2.196 1.00 0.00 N ATOM 552 CA PRO A 38 -4.730 15.060 1.952 1.00 0.00 C ATOM 553 C PRO A 38 -4.244 13.614 1.832 1.00 0.00 C ATOM 554 O PRO A 38 -4.908 12.689 2.292 1.00 0.00 O ATOM 555 CB PRO A 38 -5.410 15.526 0.664 1.00 0.00 C ATOM 556 CG PRO A 38 -5.268 17.044 0.755 1.00 0.00 C ATOM 557 CD PRO A 38 -3.890 17.225 1.394 1.00 0.00 C ATOM 0 HA PRO A 38 -5.411 15.036 2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.921 15.124 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.454 15.217 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.322 17.514 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.056 17.487 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.118 17.339 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.861 18.122 2.013 1.00 0.00 H new ATOM 565 N CYS A 39 -3.080 13.416 1.218 1.00 0.00 N ATOM 566 CA CYS A 39 -2.403 12.133 1.086 1.00 0.00 C ATOM 567 C CYS A 39 -2.406 11.363 2.409 1.00 0.00 C ATOM 568 O CYS A 39 -2.721 10.174 2.453 1.00 0.00 O ATOM 569 CB CYS A 39 -0.963 12.401 0.657 1.00 0.00 C ATOM 570 SG CYS A 39 -0.762 12.911 -1.066 1.00 0.00 S ATOM 0 H CYS A 39 -2.563 14.179 0.781 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.926 11.526 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.546 13.176 1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.376 11.498 0.824 1.00 0.00 H new ATOM 575 N LYS A 40 -2.080 12.057 3.502 1.00 0.00 N ATOM 576 CA LYS A 40 -2.008 11.482 4.835 1.00 0.00 C ATOM 577 C LYS A 40 -3.387 11.011 5.323 1.00 0.00 C ATOM 578 O LYS A 40 -3.455 10.179 6.222 1.00 0.00 O ATOM 579 CB LYS A 40 -1.401 12.534 5.777 1.00 0.00 C ATOM 580 CG LYS A 40 -0.992 11.952 7.136 1.00 0.00 C ATOM 581 CD LYS A 40 -0.311 13.036 7.980 1.00 0.00 C ATOM 582 CE LYS A 40 0.097 12.474 9.346 1.00 0.00 C ATOM 583 NZ LYS A 40 0.753 13.501 10.174 1.00 0.00 N ATOM 0 H LYS A 40 -1.856 13.052 3.478 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.375 10.595 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.528 12.980 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.124 13.335 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.870 11.570 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.314 11.110 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.568 13.413 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.988 13.880 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.784 12.095 9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.773 11.630 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.017 13.090 11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.607 13.844 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.098 14.295 10.326 1.00 0.00 H new ATOM 597 N MET A 41 -4.478 11.547 4.759 1.00 0.00 N ATOM 598 CA MET A 41 -5.854 11.174 5.076 1.00 0.00 C ATOM 599 C MET A 41 -6.297 10.033 4.155 1.00 0.00 C ATOM 600 O MET A 41 -6.997 9.115 4.577 1.00 0.00 O ATOM 601 CB MET A 41 -6.775 12.393 4.922 1.00 0.00 C ATOM 602 CG MET A 41 -6.277 13.606 5.719 1.00 0.00 C ATOM 603 SD MET A 41 -7.317 15.077 5.560 1.00 0.00 S ATOM 604 CE MET A 41 -6.361 16.233 6.566 1.00 0.00 C ATOM 0 H MET A 41 -4.420 12.275 4.047 1.00 0.00 H new ATOM 0 HA MET A 41 -5.914 10.832 6.109 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.848 12.659 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.779 12.131 5.254 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.213 13.333 6.772 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.267 13.852 5.391 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.860 17.202 6.580 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.282 15.851 7.584 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.363 16.345 6.142 1.00 0.00 H new ATOM 614 N ILE A 42 -5.864 10.080 2.894 1.00 0.00 N ATOM 615 CA ILE A 42 -6.144 9.049 1.902 1.00 0.00 C ATOM 616 C ILE A 42 -5.484 7.733 2.335 1.00 0.00 C ATOM 617 O ILE A 42 -6.098 6.672 2.225 1.00 0.00 O ATOM 618 CB ILE A 42 -5.656 9.526 0.522 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.531 10.701 0.048 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.726 8.389 -0.512 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.792 11.591 -0.952 1.00 0.00 C ATOM 0 H ILE A 42 -5.300 10.849 2.531 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.216 8.867 1.826 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.618 9.845 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.441 10.315 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.837 11.297 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.376 8.753 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.096 7.561 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.756 8.045 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.443 12.408 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.896 11.999 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.509 11.001 -1.824 1.00 0.00 H new ATOM 633 N ALA A 43 -4.242 7.785 2.830 1.00 0.00 N ATOM 634 CA ALA A 43 -3.527 6.596 3.287 1.00 0.00 C ATOM 635 C ALA A 43 -4.413 5.733 4.216 1.00 0.00 C ATOM 636 O ALA A 43 -4.571 4.552 3.926 1.00 0.00 O ATOM 637 CB ALA A 43 -2.185 7.005 3.907 1.00 0.00 C ATOM 0 H ALA A 43 -3.710 8.650 2.923 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.297 5.954 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.655 6.115 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.583 7.524 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.362 7.667 4.754 1.00 0.00 H new ATOM 643 N PRO A 44 -5.011 6.256 5.303 1.00 0.00 N ATOM 644 CA PRO A 44 -5.979 5.542 6.129 1.00 0.00 C ATOM 645 C PRO A 44 -7.067 4.813 5.333 1.00 0.00 C ATOM 646 O PRO A 44 -7.378 3.653 5.609 1.00 0.00 O ATOM 647 CB PRO A 44 -6.605 6.609 7.027 1.00 0.00 C ATOM 648 CG PRO A 44 -5.471 7.606 7.234 1.00 0.00 C ATOM 649 CD PRO A 44 -4.610 7.477 5.975 1.00 0.00 C ATOM 0 HA PRO A 44 -5.472 4.751 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.469 7.076 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.948 6.188 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.852 8.621 7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.898 7.374 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.751 8.339 5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.552 7.443 6.235 1.00 0.00 H new ATOM 657 N LEU A 45 -7.667 5.492 4.354 1.00 0.00 N ATOM 658 CA LEU A 45 -8.708 4.897 3.521 1.00 0.00 C ATOM 659 C LEU A 45 -8.130 3.686 2.799 1.00 0.00 C ATOM 660 O LEU A 45 -8.697 2.593 2.811 1.00 0.00 O ATOM 661 CB LEU A 45 -9.238 5.909 2.495 1.00 0.00 C ATOM 662 CG LEU A 45 -9.826 7.186 3.119 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.489 8.017 2.019 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.858 6.894 4.216 1.00 0.00 C ATOM 0 H LEU A 45 -7.447 6.460 4.119 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.540 4.594 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.427 6.187 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.005 5.427 1.888 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.003 7.729 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.909 8.925 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.746 8.284 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.285 7.435 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.237 7.833 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.684 6.320 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.388 6.321 5.015 1.00 0.00 H new ATOM 676 N PHE A 46 -6.972 3.893 2.176 1.00 0.00 N ATOM 677 CA PHE A 46 -6.272 2.837 1.477 1.00 0.00 C ATOM 678 C PHE A 46 -5.956 1.689 2.437 1.00 0.00 C ATOM 679 O PHE A 46 -6.157 0.537 2.076 1.00 0.00 O ATOM 680 CB PHE A 46 -5.026 3.425 0.820 1.00 0.00 C ATOM 681 CG PHE A 46 -4.127 2.400 0.158 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.620 1.586 -0.877 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.806 2.220 0.611 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.755 0.709 -1.554 1.00 0.00 C ATOM 685 CE2 PHE A 46 -1.969 1.275 -0.005 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.420 0.569 -1.133 1.00 0.00 C ATOM 0 H PHE A 46 -6.500 4.797 2.146 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.896 2.415 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.334 4.157 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.451 3.962 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.663 1.635 -1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.435 2.811 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.116 0.142 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.980 1.091 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.745 -0.078 -1.674 1.00 0.00 H new ATOM 696 N GLU A 47 -5.514 1.974 3.665 1.00 0.00 N ATOM 697 CA GLU A 47 -5.239 0.950 4.667 1.00 0.00 C ATOM 698 C GLU A 47 -6.530 0.193 4.995 1.00 0.00 C ATOM 699 O GLU A 47 -6.515 -1.029 5.147 1.00 0.00 O ATOM 700 CB GLU A 47 -4.603 1.596 5.910 1.00 0.00 C ATOM 701 CG GLU A 47 -4.459 0.667 7.132 1.00 0.00 C ATOM 702 CD GLU A 47 -3.612 -0.588 6.914 1.00 0.00 C ATOM 703 OE1 GLU A 47 -2.951 -0.684 5.859 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.640 -1.444 7.827 1.00 0.00 O ATOM 0 H GLU A 47 -5.338 2.925 3.989 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.524 0.224 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.616 1.970 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.203 2.459 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.024 1.239 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.455 0.360 7.452 1.00 0.00 H new ATOM 711 N THR A 48 -7.659 0.895 5.103 1.00 0.00 N ATOM 712 CA THR A 48 -8.941 0.245 5.349 1.00 0.00 C ATOM 713 C THR A 48 -9.202 -0.754 4.210 1.00 0.00 C ATOM 714 O THR A 48 -9.470 -1.931 4.457 1.00 0.00 O ATOM 715 CB THR A 48 -10.053 1.299 5.482 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.676 2.283 6.429 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.356 0.656 5.968 1.00 0.00 C ATOM 0 H THR A 48 -7.709 1.911 5.024 1.00 0.00 H new ATOM 0 HA THR A 48 -8.925 -0.305 6.290 1.00 0.00 H new ATOM 0 HB THR A 48 -10.204 1.747 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.972 2.849 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.128 1.420 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.675 -0.103 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.192 0.193 6.941 1.00 0.00 H new ATOM 725 N LEU A 49 -9.062 -0.302 2.958 1.00 0.00 N ATOM 726 CA LEU A 49 -9.210 -1.171 1.794 1.00 0.00 C ATOM 727 C LEU A 49 -8.182 -2.310 1.855 1.00 0.00 C ATOM 728 O LEU A 49 -8.471 -3.446 1.482 1.00 0.00 O ATOM 729 CB LEU A 49 -9.036 -0.340 0.512 1.00 0.00 C ATOM 730 CG LEU A 49 -9.410 -1.085 -0.776 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.925 -1.311 -0.845 1.00 0.00 C ATOM 732 CD2 LEU A 49 -8.957 -0.256 -1.984 1.00 0.00 C ATOM 0 H LEU A 49 -8.845 0.668 2.729 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.206 -1.615 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.648 0.559 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.998 -0.014 0.442 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.914 -2.056 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.172 -1.841 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.244 -1.904 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.437 -0.349 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.219 -0.779 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.452 0.715 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.877 -0.114 -1.943 1.00 0.00 H new ATOM 744 N SER A 50 -6.978 -2.013 2.348 1.00 0.00 N ATOM 745 CA SER A 50 -5.927 -3.001 2.458 1.00 0.00 C ATOM 746 C SER A 50 -6.382 -4.139 3.362 1.00 0.00 C ATOM 747 O SER A 50 -6.223 -5.310 3.028 1.00 0.00 O ATOM 748 CB SER A 50 -4.615 -2.391 2.951 1.00 0.00 C ATOM 749 OG SER A 50 -4.174 -1.340 2.114 1.00 0.00 O ATOM 0 H SER A 50 -6.715 -1.084 2.678 1.00 0.00 H new ATOM 0 HA SER A 50 -5.729 -3.398 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.748 -2.015 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.849 -3.165 2.996 1.00 0.00 H new ATOM 0 HG SER A 50 -4.810 -0.596 2.161 1.00 0.00 H new ATOM 755 N ASN A 51 -6.966 -3.790 4.510 1.00 0.00 N ATOM 756 CA ASN A 51 -7.487 -4.789 5.431 1.00 0.00 C ATOM 757 C ASN A 51 -8.644 -5.535 4.762 1.00 0.00 C ATOM 758 O ASN A 51 -8.698 -6.761 4.839 1.00 0.00 O ATOM 759 CB ASN A 51 -7.912 -4.147 6.757 1.00 0.00 C ATOM 760 CG ASN A 51 -6.694 -3.807 7.613 1.00 0.00 C ATOM 761 OD1 ASN A 51 -6.293 -4.579 8.478 1.00 0.00 O ATOM 762 ND2 ASN A 51 -6.074 -2.658 7.368 1.00 0.00 N ATOM 0 H ASN A 51 -7.087 -2.826 4.819 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.702 -5.507 5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.487 -3.242 6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.566 -4.828 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.245 -2.401 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.427 -2.033 6.643 1.00 0.00 H new ATOM 769 N ASP A 52 -9.547 -4.813 4.084 1.00 0.00 N ATOM 770 CA ASP A 52 -10.695 -5.412 3.401 1.00 0.00 C ATOM 771 C ASP A 52 -10.281 -6.621 2.550 1.00 0.00 C ATOM 772 O ASP A 52 -10.860 -7.694 2.708 1.00 0.00 O ATOM 773 CB ASP A 52 -11.416 -4.365 2.543 1.00 0.00 C ATOM 774 CG ASP A 52 -12.635 -4.960 1.847 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.666 -5.106 2.537 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.513 -5.244 0.636 1.00 0.00 O ATOM 0 H ASP A 52 -9.499 -3.798 3.995 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.384 -5.771 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.725 -3.529 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.728 -3.967 1.797 1.00 0.00 H new ATOM 781 N TYR A 53 -9.274 -6.472 1.680 1.00 0.00 N ATOM 782 CA TYR A 53 -8.796 -7.586 0.853 1.00 0.00 C ATOM 783 C TYR A 53 -7.499 -8.195 1.415 1.00 0.00 C ATOM 784 O TYR A 53 -6.642 -8.637 0.640 1.00 0.00 O ATOM 785 CB TYR A 53 -8.546 -7.117 -0.584 1.00 0.00 C ATOM 786 CG TYR A 53 -9.663 -6.410 -1.322 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.465 -7.153 -2.205 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.608 -5.011 -1.457 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.181 -6.505 -3.225 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.257 -4.372 -2.527 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.101 -5.112 -3.371 1.00 0.00 C ATOM 792 OH TYR A 53 -11.798 -4.507 -4.376 1.00 0.00 O ATOM 0 H TYR A 53 -8.776 -5.594 1.531 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.573 -8.351 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.685 -6.449 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.262 -7.990 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.531 -8.226 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.063 -4.424 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.796 -7.082 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.107 -3.316 -2.700 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.257 -3.787 -4.762 1.00 0.00 H new ATOM 802 N ALA A 54 -7.324 -8.221 2.742 1.00 0.00 N ATOM 803 CA ALA A 54 -6.109 -8.756 3.347 1.00 0.00 C ATOM 804 C ALA A 54 -5.837 -10.194 2.894 1.00 0.00 C ATOM 805 O ALA A 54 -6.757 -10.948 2.573 1.00 0.00 O ATOM 806 CB ALA A 54 -6.226 -8.719 4.873 1.00 0.00 C ATOM 0 H ALA A 54 -8.011 -7.877 3.413 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.276 -8.133 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.315 -9.120 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.368 -7.690 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.079 -9.321 5.187 1.00 0.00 H new ATOM 812 N GLY A 55 -4.559 -10.583 2.869 1.00 0.00 N ATOM 813 CA GLY A 55 -4.141 -11.921 2.479 1.00 0.00 C ATOM 814 C GLY A 55 -4.193 -12.089 0.963 1.00 0.00 C ATOM 815 O GLY A 55 -3.163 -12.318 0.334 1.00 0.00 O ATOM 0 H GLY A 55 -3.784 -9.969 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.128 -12.108 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.787 -12.660 2.953 1.00 0.00 H new ATOM 819 N LYS A 56 -5.391 -11.981 0.379 1.00 0.00 N ATOM 820 CA LYS A 56 -5.598 -12.095 -1.057 1.00 0.00 C ATOM 821 C LYS A 56 -4.720 -11.091 -1.804 1.00 0.00 C ATOM 822 O LYS A 56 -3.995 -11.453 -2.727 1.00 0.00 O ATOM 823 CB LYS A 56 -7.071 -11.821 -1.396 1.00 0.00 C ATOM 824 CG LYS A 56 -8.033 -12.951 -1.001 1.00 0.00 C ATOM 825 CD LYS A 56 -7.802 -14.272 -1.753 1.00 0.00 C ATOM 826 CE LYS A 56 -7.713 -14.135 -3.281 1.00 0.00 C ATOM 827 NZ LYS A 56 -8.886 -13.461 -3.866 1.00 0.00 N ATOM 0 H LYS A 56 -6.250 -11.810 0.902 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.330 -13.106 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.382 -10.904 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.158 -11.644 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.939 -13.135 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.056 -12.620 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.880 -14.725 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.613 -14.959 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.813 -13.576 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.611 -15.126 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.779 -13.412 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.746 -13.996 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.962 -12.498 -3.480 1.00 0.00 H new ATOM 841 N VAL A 57 -4.813 -9.821 -1.417 1.00 0.00 N ATOM 842 CA VAL A 57 -4.104 -8.734 -2.067 1.00 0.00 C ATOM 843 C VAL A 57 -2.962 -8.274 -1.165 1.00 0.00 C ATOM 844 O VAL A 57 -3.123 -8.224 0.055 1.00 0.00 O ATOM 845 CB VAL A 57 -5.121 -7.620 -2.341 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.471 -6.376 -2.960 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.289 -8.135 -3.195 1.00 0.00 C ATOM 0 H VAL A 57 -5.391 -9.519 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.660 -9.041 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.524 -7.310 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.233 -5.616 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.716 -5.983 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.002 -6.644 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.995 -7.324 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.909 -8.502 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.794 -8.946 -2.670 1.00 0.00 H new ATOM 857 N ILE A 58 -1.805 -7.956 -1.755 1.00 0.00 N ATOM 858 CA ILE A 58 -0.667 -7.445 -1.000 1.00 0.00 C ATOM 859 C ILE A 58 -0.744 -5.923 -1.130 1.00 0.00 C ATOM 860 O ILE A 58 -0.933 -5.429 -2.239 1.00 0.00 O ATOM 861 CB ILE A 58 0.658 -8.015 -1.543 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.595 -9.523 -1.859 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.796 -7.722 -0.557 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.227 -10.420 -0.673 1.00 0.00 C ATOM 0 H ILE A 58 -1.636 -8.046 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.699 -7.746 0.047 1.00 0.00 H new ATOM 0 HB ILE A 58 0.849 -7.514 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.133 -9.682 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.564 -9.838 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.729 -8.128 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.896 -6.644 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.573 -8.185 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.209 -11.461 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.967 -10.299 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.757 -10.140 -0.296 1.00 0.00 H new ATOM 876 N PHE A 59 -0.628 -5.175 -0.029 1.00 0.00 N ATOM 877 CA PHE A 59 -0.765 -3.724 -0.043 1.00 0.00 C ATOM 878 C PHE A 59 0.492 -3.059 0.490 1.00 0.00 C ATOM 879 O PHE A 59 0.852 -3.240 1.655 1.00 0.00 O ATOM 880 CB PHE A 59 -1.974 -3.302 0.778 1.00 0.00 C ATOM 881 CG PHE A 59 -3.274 -3.724 0.140 1.00 0.00 C ATOM 882 CD1 PHE A 59 -3.923 -2.853 -0.752 1.00 0.00 C ATOM 883 CD2 PHE A 59 -3.856 -4.961 0.463 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.184 -3.181 -1.269 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.150 -5.254 0.012 1.00 0.00 C ATOM 886 CZ PHE A 59 -5.806 -4.374 -0.872 1.00 0.00 C ATOM 0 H PHE A 59 -0.436 -5.563 0.895 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.910 -3.403 -1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.903 -3.737 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.967 -2.219 0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.448 -1.927 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.310 -5.681 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.673 -2.519 -1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.645 -6.155 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.790 -4.619 -1.245 1.00 0.00 H new ATOM 896 N LEU A 60 1.119 -2.272 -0.385 1.00 0.00 N ATOM 897 CA LEU A 60 2.348 -1.546 -0.137 1.00 0.00 C ATOM 898 C LEU A 60 2.075 -0.040 -0.124 1.00 0.00 C ATOM 899 O LEU A 60 1.201 0.457 -0.837 1.00 0.00 O ATOM 900 CB LEU A 60 3.342 -1.896 -1.250 1.00 0.00 C ATOM 901 CG LEU A 60 3.757 -3.372 -1.319 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.811 -3.512 -2.423 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.322 -3.885 0.006 1.00 0.00 C ATOM 0 H LEU A 60 0.760 -2.122 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 60 2.761 -1.824 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.904 -1.614 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.238 -1.290 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 60 2.873 -3.973 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.126 -4.553 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.385 -3.194 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.673 -2.888 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.600 -4.934 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.202 -3.302 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.567 -3.785 0.786 1.00 0.00 H new ATOM 915 N LYS A 61 2.851 0.689 0.676 1.00 0.00 N ATOM 916 CA LYS A 61 2.774 2.136 0.839 1.00 0.00 C ATOM 917 C LYS A 61 4.147 2.718 0.509 1.00 0.00 C ATOM 918 O LYS A 61 5.147 2.189 0.983 1.00 0.00 O ATOM 919 CB LYS A 61 2.363 2.401 2.295 1.00 0.00 C ATOM 920 CG LYS A 61 2.560 3.829 2.819 1.00 0.00 C ATOM 921 CD LYS A 61 1.552 4.819 2.223 1.00 0.00 C ATOM 922 CE LYS A 61 1.756 6.224 2.806 1.00 0.00 C ATOM 923 NZ LYS A 61 1.652 6.248 4.276 1.00 0.00 N ATOM 0 H LYS A 61 3.580 0.268 1.251 1.00 0.00 H new ATOM 0 HA LYS A 61 2.045 2.604 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.310 2.141 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.926 1.723 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.466 3.830 3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.572 4.161 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.664 4.851 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.537 4.479 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.736 6.598 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.014 6.901 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.525 7.228 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.836 5.677 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.521 5.856 4.692 1.00 0.00 H new ATOM 937 N VAL A 62 4.228 3.774 -0.305 1.00 0.00 N ATOM 938 CA VAL A 62 5.506 4.384 -0.656 1.00 0.00 C ATOM 939 C VAL A 62 5.375 5.904 -0.636 1.00 0.00 C ATOM 940 O VAL A 62 4.441 6.447 -1.229 1.00 0.00 O ATOM 941 CB VAL A 62 5.961 3.891 -2.046 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.251 4.604 -2.473 1.00 0.00 C ATOM 943 CG2 VAL A 62 6.240 2.386 -2.038 1.00 0.00 C ATOM 0 H VAL A 62 3.418 4.223 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 62 6.260 4.092 0.075 1.00 0.00 H new ATOM 0 HB VAL A 62 5.153 4.112 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.557 4.244 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.075 5.679 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.038 4.396 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.558 2.070 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.027 2.166 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.333 1.849 -1.760 1.00 0.00 H new ATOM 953 N ASP A 63 6.304 6.585 0.047 1.00 0.00 N ATOM 954 CA ASP A 63 6.398 8.036 0.019 1.00 0.00 C ATOM 955 C ASP A 63 7.383 8.375 -1.101 1.00 0.00 C ATOM 956 O ASP A 63 8.583 8.129 -0.957 1.00 0.00 O ATOM 957 CB ASP A 63 6.863 8.599 1.371 1.00 0.00 C ATOM 958 CG ASP A 63 6.832 10.129 1.378 1.00 0.00 C ATOM 959 OD1 ASP A 63 7.140 10.721 0.322 1.00 0.00 O ATOM 960 OD2 ASP A 63 6.444 10.703 2.421 1.00 0.00 O ATOM 0 H ASP A 63 7.009 6.138 0.633 1.00 0.00 H new ATOM 0 HA ASP A 63 5.424 8.489 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.223 8.217 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.875 8.253 1.583 1.00 0.00 H new ATOM 965 N VAL A 64 6.894 8.942 -2.208 1.00 0.00 N ATOM 966 CA VAL A 64 7.737 9.275 -3.353 1.00 0.00 C ATOM 967 C VAL A 64 8.867 10.240 -2.972 1.00 0.00 C ATOM 968 O VAL A 64 9.910 10.232 -3.622 1.00 0.00 O ATOM 969 CB VAL A 64 6.902 9.838 -4.521 1.00 0.00 C ATOM 970 CG1 VAL A 64 5.865 8.817 -5.003 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.196 11.164 -4.218 1.00 0.00 C ATOM 0 H VAL A 64 5.910 9.180 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 64 8.200 8.346 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 64 7.631 10.041 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.292 9.242 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.373 7.915 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.192 8.567 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.633 11.485 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.514 11.030 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.938 11.922 -3.966 1.00 0.00 H new ATOM 981 N ASP A 65 8.679 11.072 -1.939 1.00 0.00 N ATOM 982 CA ASP A 65 9.719 11.989 -1.489 1.00 0.00 C ATOM 983 C ASP A 65 10.914 11.190 -0.973 1.00 0.00 C ATOM 984 O ASP A 65 12.063 11.539 -1.231 1.00 0.00 O ATOM 985 CB ASP A 65 9.182 12.899 -0.380 1.00 0.00 C ATOM 986 CG ASP A 65 10.191 13.980 -0.016 1.00 0.00 C ATOM 987 OD1 ASP A 65 10.216 14.995 -0.746 1.00 0.00 O ATOM 988 OD2 ASP A 65 10.903 13.779 0.990 1.00 0.00 O ATOM 0 H ASP A 65 7.813 11.124 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 65 10.033 12.611 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.251 13.362 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.950 12.303 0.502 1.00 0.00 H new ATOM 993 N ALA A 66 10.628 10.108 -0.241 1.00 0.00 N ATOM 994 CA ALA A 66 11.644 9.260 0.349 1.00 0.00 C ATOM 995 C ALA A 66 12.178 8.279 -0.693 1.00 0.00 C ATOM 996 O ALA A 66 13.351 8.340 -1.060 1.00 0.00 O ATOM 997 CB ALA A 66 11.056 8.524 1.556 1.00 0.00 C ATOM 0 H ALA A 66 9.675 9.802 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 66 12.480 9.871 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.820 7.886 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.715 9.250 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.214 7.912 1.234 1.00 0.00 H new ATOM 1003 N VAL A 67 11.330 7.380 -1.203 1.00 0.00 N ATOM 1004 CA VAL A 67 11.776 6.351 -2.138 1.00 0.00 C ATOM 1005 C VAL A 67 11.791 6.911 -3.567 1.00 0.00 C ATOM 1006 O VAL A 67 11.162 6.371 -4.481 1.00 0.00 O ATOM 1007 CB VAL A 67 10.917 5.080 -2.005 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.701 3.904 -2.585 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.594 4.717 -0.552 1.00 0.00 C ATOM 0 H VAL A 67 10.335 7.347 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 67 12.797 6.059 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 67 9.982 5.277 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.108 2.994 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.921 4.096 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.634 3.782 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.986 3.812 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.521 4.545 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.044 5.535 -0.086 1.00 0.00 H new ATOM 1019 N ALA A 68 12.566 7.981 -3.757 1.00 0.00 N ATOM 1020 CA ALA A 68 12.707 8.668 -5.031 1.00 0.00 C ATOM 1021 C ALA A 68 13.088 7.688 -6.142 1.00 0.00 C ATOM 1022 O ALA A 68 12.483 7.707 -7.208 1.00 0.00 O ATOM 1023 CB ALA A 68 13.760 9.771 -4.893 1.00 0.00 C ATOM 0 H ALA A 68 13.122 8.398 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 68 11.751 9.115 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.870 10.290 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.446 10.480 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.715 9.329 -4.608 1.00 0.00 H new ATOM 1029 N ALA A 69 14.067 6.815 -5.882 1.00 0.00 N ATOM 1030 CA ALA A 69 14.564 5.840 -6.846 1.00 0.00 C ATOM 1031 C ALA A 69 13.440 4.965 -7.416 1.00 0.00 C ATOM 1032 O ALA A 69 13.258 4.890 -8.629 1.00 0.00 O ATOM 1033 CB ALA A 69 15.629 4.971 -6.169 1.00 0.00 C ATOM 0 H ALA A 69 14.541 6.769 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 69 14.999 6.379 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.007 4.238 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.450 5.602 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.189 4.454 -5.316 1.00 0.00 H new ATOM 1039 N VAL A 70 12.686 4.289 -6.546 1.00 0.00 N ATOM 1040 CA VAL A 70 11.616 3.400 -6.984 1.00 0.00 C ATOM 1041 C VAL A 70 10.533 4.230 -7.669 1.00 0.00 C ATOM 1042 O VAL A 70 10.020 3.833 -8.712 1.00 0.00 O ATOM 1043 CB VAL A 70 11.062 2.592 -5.799 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.013 1.560 -6.239 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.194 1.817 -5.115 1.00 0.00 C ATOM 0 H VAL A 70 12.800 4.343 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 70 12.003 2.677 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 70 10.602 3.313 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.651 1.014 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.179 2.071 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.464 0.861 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.791 1.248 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.652 1.134 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.946 2.517 -4.750 1.00 0.00 H new ATOM 1055 N ALA A 71 10.193 5.386 -7.095 1.00 0.00 N ATOM 1056 CA ALA A 71 9.182 6.270 -7.668 1.00 0.00 C ATOM 1057 C ALA A 71 9.533 6.673 -9.109 1.00 0.00 C ATOM 1058 O ALA A 71 8.715 6.517 -10.017 1.00 0.00 O ATOM 1059 CB ALA A 71 9.019 7.503 -6.775 1.00 0.00 C ATOM 0 H ALA A 71 10.607 5.731 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 71 8.235 5.733 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.265 8.164 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.707 7.192 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.969 8.032 -6.709 1.00 0.00 H new ATOM 1065 N GLU A 72 10.742 7.196 -9.341 1.00 0.00 N ATOM 1066 CA GLU A 72 11.145 7.632 -10.672 1.00 0.00 C ATOM 1067 C GLU A 72 11.306 6.423 -11.598 1.00 0.00 C ATOM 1068 O GLU A 72 10.918 6.502 -12.759 1.00 0.00 O ATOM 1069 CB GLU A 72 12.400 8.518 -10.606 1.00 0.00 C ATOM 1070 CG GLU A 72 13.698 7.782 -10.254 1.00 0.00 C ATOM 1071 CD GLU A 72 14.828 8.762 -9.961 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.353 9.330 -10.943 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.143 8.929 -8.762 1.00 0.00 O ATOM 0 H GLU A 72 11.454 7.325 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 72 10.360 8.256 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.530 9.010 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.234 9.302 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.533 7.144 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.984 7.130 -11.079 1.00 0.00 H new ATOM 1080 N ALA A 73 11.844 5.302 -11.100 1.00 0.00 N ATOM 1081 CA ALA A 73 11.978 4.090 -11.903 1.00 0.00 C ATOM 1082 C ALA A 73 10.599 3.623 -12.378 1.00 0.00 C ATOM 1083 O ALA A 73 10.420 3.292 -13.548 1.00 0.00 O ATOM 1084 CB ALA A 73 12.671 2.996 -11.085 1.00 0.00 C ATOM 0 H ALA A 73 12.192 5.214 -10.145 1.00 0.00 H new ATOM 0 HA ALA A 73 12.589 4.304 -12.780 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.767 2.095 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.661 3.339 -10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.078 2.775 -10.197 1.00 0.00 H new ATOM 1090 N ALA A 74 9.623 3.595 -11.466 1.00 0.00 N ATOM 1091 CA ALA A 74 8.247 3.233 -11.774 1.00 0.00 C ATOM 1092 C ALA A 74 7.623 4.283 -12.698 1.00 0.00 C ATOM 1093 O ALA A 74 6.767 3.959 -13.517 1.00 0.00 O ATOM 1094 CB ALA A 74 7.459 3.089 -10.470 1.00 0.00 C ATOM 0 H ALA A 74 9.773 3.826 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 74 8.221 2.277 -12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.428 2.818 -10.696 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.912 2.311 -9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.475 4.035 -9.929 1.00 0.00 H new ATOM 1100 N GLY A 75 8.045 5.542 -12.556 1.00 0.00 N ATOM 1101 CA GLY A 75 7.619 6.657 -13.387 1.00 0.00 C ATOM 1102 C GLY A 75 6.424 7.375 -12.775 1.00 0.00 C ATOM 1103 O GLY A 75 5.474 7.714 -13.476 1.00 0.00 O ATOM 0 H GLY A 75 8.713 5.816 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.444 7.358 -13.510 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.358 6.294 -14.381 1.00 0.00 H new ATOM 1107 N ILE A 76 6.463 7.612 -11.462 1.00 0.00 N ATOM 1108 CA ILE A 76 5.387 8.311 -10.775 1.00 0.00 C ATOM 1109 C ILE A 76 5.535 9.811 -11.018 1.00 0.00 C ATOM 1110 O ILE A 76 6.646 10.338 -11.024 1.00 0.00 O ATOM 1111 CB ILE A 76 5.401 7.993 -9.272 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.389 6.477 -9.026 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.198 8.658 -8.589 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.165 5.740 -9.573 1.00 0.00 C ATOM 0 H ILE A 76 7.233 7.327 -10.856 1.00 0.00 H new ATOM 0 HA ILE A 76 4.428 7.976 -11.169 1.00 0.00 H new ATOM 0 HB ILE A 76 6.321 8.391 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.284 6.045 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.452 6.298 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.212 8.429 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.251 9.738 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.275 8.280 -9.029 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.250 4.677 -9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.263 6.137 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.108 5.880 -10.652 1.00 0.00 H new ATOM 1126 N THR A 77 4.402 10.483 -11.214 1.00 0.00 N ATOM 1127 CA THR A 77 4.329 11.913 -11.469 1.00 0.00 C ATOM 1128 C THR A 77 3.230 12.525 -10.597 1.00 0.00 C ATOM 1129 O THR A 77 3.504 13.091 -9.542 1.00 0.00 O ATOM 1130 CB THR A 77 4.076 12.139 -12.970 1.00 0.00 C ATOM 1131 OG1 THR A 77 2.939 11.400 -13.384 1.00 0.00 O ATOM 1132 CG2 THR A 77 5.279 11.686 -13.807 1.00 0.00 C ATOM 0 H THR A 77 3.487 10.032 -11.199 1.00 0.00 H new ATOM 0 HA THR A 77 5.267 12.405 -11.210 1.00 0.00 H new ATOM 0 HB THR A 77 3.913 13.206 -13.123 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.782 11.549 -14.340 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.072 11.857 -14.863 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.161 12.254 -13.513 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.459 10.624 -13.640 1.00 0.00 H new ATOM 1140 N ALA A 78 1.975 12.393 -11.031 1.00 0.00 N ATOM 1141 CA ALA A 78 0.811 12.947 -10.354 1.00 0.00 C ATOM 1142 C ALA A 78 0.442 12.113 -9.124 1.00 0.00 C ATOM 1143 O ALA A 78 -0.608 11.473 -9.101 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.348 13.019 -11.356 1.00 0.00 C ATOM 0 H ALA A 78 1.739 11.885 -11.884 1.00 0.00 H new ATOM 0 HA ALA A 78 1.036 13.951 -9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.229 13.432 -10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.066 13.658 -12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.574 12.018 -11.724 1.00 0.00 H new ATOM 1150 N MET A 79 1.303 12.119 -8.102 1.00 0.00 N ATOM 1151 CA MET A 79 1.043 11.405 -6.857 1.00 0.00 C ATOM 1152 C MET A 79 -0.199 12.017 -6.171 1.00 0.00 C ATOM 1153 O MET A 79 -0.370 13.234 -6.242 1.00 0.00 O ATOM 1154 CB MET A 79 2.290 11.426 -5.950 1.00 0.00 C ATOM 1155 CG MET A 79 2.594 12.747 -5.222 1.00 0.00 C ATOM 1156 SD MET A 79 2.963 14.204 -6.235 1.00 0.00 S ATOM 1157 CE MET A 79 4.653 13.825 -6.749 1.00 0.00 C ATOM 0 H MET A 79 2.193 12.617 -8.118 1.00 0.00 H new ATOM 0 HA MET A 79 0.829 10.357 -7.065 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.179 10.642 -5.200 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.157 11.165 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.738 12.986 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.442 12.577 -4.559 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.010 14.601 -7.425 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.299 13.782 -5.872 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.671 12.862 -7.260 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.061 11.242 -5.484 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.002 9.801 -5.289 1.00 0.00 C ATOM 1169 C PRO A 80 -1.130 9.024 -6.592 1.00 0.00 C ATOM 1170 O PRO A 80 -1.779 9.470 -7.535 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.174 9.437 -4.372 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.451 10.740 -3.633 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.148 11.796 -4.694 1.00 0.00 C ATOM 0 HA PRO A 80 -0.034 9.537 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.042 9.103 -4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.914 8.631 -3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.483 10.798 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.813 10.852 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.023 11.995 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.860 12.742 -4.237 1.00 0.00 H new ATOM 1181 N THR A 81 -0.483 7.868 -6.672 1.00 0.00 N ATOM 1182 CA THR A 81 -0.547 7.014 -7.840 1.00 0.00 C ATOM 1183 C THR A 81 -0.471 5.570 -7.356 1.00 0.00 C ATOM 1184 O THR A 81 0.467 5.186 -6.659 1.00 0.00 O ATOM 1185 CB THR A 81 0.580 7.393 -8.806 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.435 8.731 -9.249 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.584 6.494 -10.043 1.00 0.00 C ATOM 0 H THR A 81 0.102 7.499 -5.922 1.00 0.00 H new ATOM 0 HA THR A 81 -1.478 7.137 -8.393 1.00 0.00 H new ATOM 0 HB THR A 81 1.514 7.271 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.165 8.953 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.396 6.791 -10.706 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.725 5.457 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.367 6.592 -10.567 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.480 4.782 -7.710 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.632 3.405 -7.294 1.00 0.00 C ATOM 1197 C PHE A 82 -1.258 2.483 -8.449 1.00 0.00 C ATOM 1198 O PHE A 82 -1.889 2.546 -9.501 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.082 3.184 -6.866 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.489 3.996 -5.651 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -4.006 5.298 -5.805 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.341 3.452 -4.361 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -4.368 6.050 -4.674 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -3.739 4.194 -3.236 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.238 5.496 -3.389 1.00 0.00 C ATOM 0 H PHE A 82 -2.237 5.101 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.974 3.183 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.740 3.436 -7.698 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.231 2.126 -6.652 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.124 5.718 -6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.922 2.465 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.746 7.055 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.660 3.760 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.522 6.072 -2.521 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.237 1.641 -8.271 1.00 0.00 N ATOM 1216 CA HIS A 83 0.178 0.667 -9.281 1.00 0.00 C ATOM 1217 C HIS A 83 -0.179 -0.731 -8.797 1.00 0.00 C ATOM 1218 O HIS A 83 -0.171 -0.979 -7.591 1.00 0.00 O ATOM 1219 CB HIS A 83 1.689 0.720 -9.515 1.00 0.00 C ATOM 1220 CG HIS A 83 2.194 1.855 -10.356 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.518 1.894 -10.800 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.535 2.960 -10.814 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.590 3.016 -11.526 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.426 3.683 -11.577 1.00 0.00 N ATOM 0 H HIS A 83 0.326 1.616 -7.421 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.334 0.905 -10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.184 0.767 -8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.995 -0.215 -9.984 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.506 3.219 -10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.491 3.350 -12.019 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.239 4.551 -12.080 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.459 -1.644 -9.733 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.745 -3.037 -9.425 1.00 0.00 C ATOM 1234 C VAL A 84 0.364 -3.889 -10.048 1.00 0.00 C ATOM 1235 O VAL A 84 0.423 -4.025 -11.272 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.137 -3.442 -9.940 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.494 -4.808 -9.342 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.220 -2.434 -9.528 1.00 0.00 C ATOM 0 H VAL A 84 -0.492 -1.429 -10.730 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.763 -3.193 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.101 -3.473 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.479 -5.114 -9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.753 -5.545 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.504 -4.738 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.186 -2.760 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.265 -2.372 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.979 -1.453 -9.937 1.00 0.00 H new ATOM 1248 N TYR A 85 1.250 -4.441 -9.214 1.00 0.00 N ATOM 1249 CA TYR A 85 2.366 -5.263 -9.653 1.00 0.00 C ATOM 1250 C TYR A 85 2.055 -6.754 -9.493 1.00 0.00 C ATOM 1251 O TYR A 85 1.812 -7.231 -8.384 1.00 0.00 O ATOM 1252 CB TYR A 85 3.646 -4.894 -8.888 1.00 0.00 C ATOM 1253 CG TYR A 85 4.279 -3.595 -9.342 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.874 -2.382 -8.763 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.256 -3.592 -10.355 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.407 -1.170 -9.231 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.759 -2.373 -10.847 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.287 -1.159 -10.321 1.00 0.00 C ATOM 1259 OH TYR A 85 5.625 0.025 -10.906 1.00 0.00 O ATOM 0 H TYR A 85 1.206 -4.324 -8.202 1.00 0.00 H new ATOM 0 HA TYR A 85 2.527 -5.066 -10.713 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.415 -4.822 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.371 -5.700 -9.003 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.153 -2.381 -7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.620 -4.527 -10.755 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.137 -0.242 -8.748 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.506 -2.371 -11.627 1.00 0.00 H new ATOM 0 HH TYR A 85 5.048 0.737 -10.560 1.00 0.00 H new ATOM 1269 N LYS A 86 1.966 -7.466 -10.618 1.00 0.00 N ATOM 1270 CA LYS A 86 1.964 -8.924 -10.681 1.00 0.00 C ATOM 1271 C LYS A 86 3.428 -9.356 -10.884 1.00 0.00 C ATOM 1272 O LYS A 86 4.330 -8.520 -10.835 1.00 0.00 O ATOM 1273 CB LYS A 86 1.101 -9.379 -11.870 1.00 0.00 C ATOM 1274 CG LYS A 86 -0.352 -8.886 -11.828 1.00 0.00 C ATOM 1275 CD LYS A 86 -1.181 -9.605 -10.757 1.00 0.00 C ATOM 1276 CE LYS A 86 -2.659 -9.220 -10.899 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.492 -9.894 -9.889 1.00 0.00 N ATOM 0 H LYS A 86 1.891 -7.028 -11.536 1.00 0.00 H new ATOM 0 HA LYS A 86 1.553 -9.369 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.563 -9.029 -12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.101 -10.468 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.364 -7.814 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.813 -9.038 -12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.065 -10.684 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.820 -9.337 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.766 -8.140 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.010 -9.483 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.495 -9.792 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.245 -10.904 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.325 -9.463 -8.957 1.00 0.00 H new ATOM 1291 N ASP A 87 3.687 -10.635 -11.167 1.00 0.00 N ATOM 1292 CA ASP A 87 4.993 -11.058 -11.686 1.00 0.00 C ATOM 1293 C ASP A 87 5.161 -10.494 -13.073 1.00 0.00 C ATOM 1294 O ASP A 87 6.246 -10.084 -13.466 1.00 0.00 O ATOM 1295 CB ASP A 87 5.130 -12.562 -11.761 1.00 0.00 C ATOM 1296 CG ASP A 87 4.020 -13.327 -12.485 1.00 0.00 C ATOM 1297 OD1 ASP A 87 2.993 -12.698 -12.825 1.00 0.00 O ATOM 1298 OD2 ASP A 87 4.234 -14.539 -12.702 1.00 0.00 O ATOM 0 H ASP A 87 3.015 -11.393 -11.047 1.00 0.00 H new ATOM 0 HA ASP A 87 5.757 -10.689 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.075 -12.792 -12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.198 -12.947 -10.743 1.00 0.00 H new ATOM 1303 N GLY A 88 4.044 -10.413 -13.786 1.00 0.00 N ATOM 1304 CA GLY A 88 3.903 -9.661 -15.028 1.00 0.00 C ATOM 1305 C GLY A 88 3.869 -8.156 -14.697 1.00 0.00 C ATOM 1306 O GLY A 88 3.086 -7.402 -15.268 1.00 0.00 O ATOM 0 H GLY A 88 3.183 -10.884 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.734 -9.881 -15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.989 -9.954 -15.545 1.00 0.00 H new ATOM 1310 N VAL A 89 4.740 -7.761 -13.761 1.00 0.00 N ATOM 1311 CA VAL A 89 5.036 -6.486 -13.146 1.00 0.00 C ATOM 1312 C VAL A 89 3.872 -5.507 -13.191 1.00 0.00 C ATOM 1313 O VAL A 89 2.759 -5.912 -12.860 1.00 0.00 O ATOM 1314 CB VAL A 89 6.408 -6.059 -13.679 1.00 0.00 C ATOM 1315 CG1 VAL A 89 7.380 -7.216 -13.330 1.00 0.00 C ATOM 1316 CG2 VAL A 89 6.386 -5.777 -15.191 1.00 0.00 C ATOM 0 H VAL A 89 5.355 -8.468 -13.357 1.00 0.00 H new ATOM 0 HA VAL A 89 5.137 -6.541 -12.062 1.00 0.00 H new ATOM 0 HB VAL A 89 6.723 -5.121 -13.222 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.381 -6.970 -13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.404 -7.358 -12.250 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.040 -8.134 -13.809 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.381 -5.478 -15.520 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.083 -6.678 -15.725 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.678 -4.975 -15.401 1.00 0.00 H new ATOM 1326 N LYS A 90 4.147 -4.227 -13.455 1.00 0.00 N ATOM 1327 CA LYS A 90 3.159 -3.153 -13.500 1.00 0.00 C ATOM 1328 C LYS A 90 2.034 -3.529 -14.471 1.00 0.00 C ATOM 1329 O LYS A 90 2.041 -3.136 -15.636 1.00 0.00 O ATOM 1330 CB LYS A 90 3.839 -1.838 -13.918 1.00 0.00 C ATOM 1331 CG LYS A 90 2.915 -0.636 -13.666 1.00 0.00 C ATOM 1332 CD LYS A 90 3.308 0.582 -14.512 1.00 0.00 C ATOM 1333 CE LYS A 90 4.754 1.028 -14.271 1.00 0.00 C ATOM 1334 NZ LYS A 90 5.040 2.289 -14.974 1.00 0.00 N ATOM 0 H LYS A 90 5.094 -3.902 -13.649 1.00 0.00 H new ATOM 0 HA LYS A 90 2.724 -3.010 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.767 -1.711 -13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.105 -1.882 -14.974 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.886 -0.917 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.948 -0.369 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.177 0.344 -15.567 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.635 1.409 -14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.926 1.156 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.440 0.253 -14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.612 2.906 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.565 2.087 -15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.146 2.766 -15.208 1.00 0.00 H new ATOM 1348 N ALA A 91 1.051 -4.273 -13.974 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.055 -4.766 -14.765 1.00 0.00 C ATOM 1350 C ALA A 91 -1.087 -3.663 -14.955 1.00 0.00 C ATOM 1351 O ALA A 91 -1.802 -3.651 -15.954 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.679 -5.969 -14.056 1.00 0.00 C ATOM 0 H ALA A 91 1.006 -4.551 -12.994 1.00 0.00 H new ATOM 0 HA ALA A 91 0.301 -5.075 -15.748 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.514 -6.346 -14.646 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.070 -6.753 -13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.038 -5.666 -13.072 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.186 -2.753 -13.979 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.129 -1.648 -14.023 1.00 0.00 C ATOM 1360 C ASP A 92 -1.579 -0.449 -13.251 1.00 0.00 C ATOM 1361 O ASP A 92 -0.667 -0.603 -12.434 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.474 -2.116 -13.453 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.663 -1.467 -14.150 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.542 -0.275 -14.503 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.672 -2.188 -14.319 1.00 0.00 O ATOM 0 H ASP A 92 -0.609 -2.769 -13.138 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.279 -1.329 -15.054 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.548 -3.199 -13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.513 -1.887 -12.388 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.150 0.727 -13.521 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.807 2.025 -12.949 1.00 0.00 C ATOM 1372 C ASP A 93 -3.107 2.783 -12.705 1.00 0.00 C ATOM 1373 O ASP A 93 -4.157 2.415 -13.227 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.891 2.790 -13.917 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.642 4.262 -13.588 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.465 4.571 -12.391 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.632 5.063 -14.546 1.00 0.00 O ATOM 0 H ASP A 93 -2.916 0.799 -14.191 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.270 1.910 -12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.071 2.279 -13.954 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.322 2.730 -14.916 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.016 3.849 -11.921 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.134 4.684 -11.522 1.00 0.00 C ATOM 1384 C LEU A 94 -3.620 5.916 -10.779 1.00 0.00 C ATOM 1385 O LEU A 94 -3.243 5.825 -9.613 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.075 3.865 -10.628 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.219 4.687 -10.023 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.052 5.335 -11.135 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.072 3.752 -9.163 1.00 0.00 C ATOM 0 H LEU A 94 -2.127 4.165 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.682 5.020 -12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.496 3.047 -11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.496 3.416 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.825 5.492 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.861 5.916 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.417 5.992 -11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.471 4.559 -11.775 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.894 4.314 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.473 2.951 -9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.457 3.324 -8.371 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.609 7.073 -11.440 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.189 8.325 -10.827 1.00 0.00 C ATOM 1403 C VAL A 95 -4.330 8.926 -9.992 1.00 0.00 C ATOM 1404 O VAL A 95 -5.502 8.573 -10.163 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.711 9.313 -11.909 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.459 8.778 -12.617 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.792 9.645 -12.949 1.00 0.00 C ATOM 0 H VAL A 95 -3.892 7.165 -12.416 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.354 8.125 -10.156 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.474 10.240 -11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.138 9.491 -13.377 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.660 8.640 -11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.688 7.823 -13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.390 10.345 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.104 8.731 -13.454 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.651 10.095 -12.450 1.00 0.00 H new ATOM 1417 N GLY A 96 -3.976 9.855 -9.100 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.910 10.592 -8.268 1.00 0.00 C ATOM 1419 C GLY A 96 -5.462 9.755 -7.116 1.00 0.00 C ATOM 1420 O GLY A 96 -5.288 8.537 -7.052 1.00 0.00 O ATOM 0 H GLY A 96 -3.004 10.117 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.413 11.474 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.737 10.946 -8.883 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.169 10.418 -6.197 1.00 0.00 N ATOM 1425 CA ALA A 97 -6.799 9.799 -5.034 1.00 0.00 C ATOM 1426 C ALA A 97 -8.105 9.102 -5.443 1.00 0.00 C ATOM 1427 O ALA A 97 -9.129 9.229 -4.773 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.071 10.898 -4.004 1.00 0.00 C ATOM 0 H ALA A 97 -6.321 11.425 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.142 9.042 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.542 10.462 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.131 11.369 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.734 11.647 -4.437 1.00 0.00 H new ATOM 1434 N SER A 98 -8.072 8.351 -6.543 1.00 0.00 N ATOM 1435 CA SER A 98 -9.230 7.739 -7.170 1.00 0.00 C ATOM 1436 C SER A 98 -9.679 6.477 -6.422 1.00 0.00 C ATOM 1437 O SER A 98 -9.729 5.397 -7.000 1.00 0.00 O ATOM 1438 CB SER A 98 -8.844 7.458 -8.631 1.00 0.00 C ATOM 1439 OG SER A 98 -8.128 8.571 -9.155 1.00 0.00 O ATOM 0 H SER A 98 -7.203 8.148 -7.036 1.00 0.00 H new ATOM 0 HA SER A 98 -10.092 8.405 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.232 6.558 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.739 7.275 -9.226 1.00 0.00 H new ATOM 0 HG SER A 98 -7.245 8.277 -9.461 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.040 6.622 -5.143 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.427 5.539 -4.241 1.00 0.00 C ATOM 1447 C GLN A 99 -11.425 4.541 -4.854 1.00 0.00 C ATOM 1448 O GLN A 99 -11.235 3.333 -4.735 1.00 0.00 O ATOM 1449 CB GLN A 99 -10.944 6.141 -2.922 1.00 0.00 C ATOM 1450 CG GLN A 99 -12.048 7.199 -3.085 1.00 0.00 C ATOM 1451 CD GLN A 99 -12.524 7.748 -1.743 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -13.700 7.656 -1.413 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -11.629 8.333 -0.952 1.00 0.00 N ATOM 0 H GLN A 99 -10.071 7.536 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.537 4.941 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.323 5.334 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.105 6.590 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.675 8.019 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.893 6.761 -3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.655 8.399 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.917 8.716 -0.051 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.487 5.015 -5.513 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.478 4.121 -6.111 1.00 0.00 C ATOM 1464 C ASP A 100 -12.842 3.294 -7.233 1.00 0.00 C ATOM 1465 O ASP A 100 -12.986 2.073 -7.292 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.655 4.940 -6.647 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.670 4.030 -7.330 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -16.448 3.393 -6.589 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -15.636 3.983 -8.578 1.00 0.00 O ATOM 0 H ASP A 100 -12.680 6.008 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.845 3.434 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.133 5.479 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.294 5.687 -7.354 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.116 3.974 -8.123 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.435 3.329 -9.230 1.00 0.00 C ATOM 1476 C LYS A 101 -10.421 2.323 -8.676 1.00 0.00 C ATOM 1477 O LYS A 101 -10.267 1.234 -9.222 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.787 4.408 -10.108 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.144 3.879 -11.398 1.00 0.00 C ATOM 1480 CD LYS A 101 -11.154 3.153 -12.288 1.00 0.00 C ATOM 1481 CE LYS A 101 -10.601 2.925 -13.701 1.00 0.00 C ATOM 1482 NZ LYS A 101 -9.362 2.129 -13.685 1.00 0.00 N ATOM 0 H LYS A 101 -11.988 4.985 -8.090 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.132 2.772 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.544 5.147 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.026 4.925 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.705 4.710 -11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.330 3.199 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.412 2.194 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.073 3.736 -12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.351 2.416 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.408 3.887 -14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.443 1.347 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.557 2.734 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.210 1.743 -12.731 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.742 2.683 -7.582 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.797 1.808 -6.910 1.00 0.00 C ATOM 1498 C LEU A 102 -9.539 0.550 -6.477 1.00 0.00 C ATOM 1499 O LEU A 102 -9.165 -0.537 -6.900 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.146 2.539 -5.726 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.091 1.709 -4.984 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -5.890 1.383 -5.872 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.621 2.537 -3.788 1.00 0.00 C ATOM 0 H LEU A 102 -9.839 3.598 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.988 1.522 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.682 3.456 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.924 2.833 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.533 0.761 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.168 0.794 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.223 0.813 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.421 2.309 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.867 1.979 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.191 3.475 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.469 2.749 -3.136 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.603 0.697 -5.678 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.425 -0.416 -5.214 1.00 0.00 C ATOM 1517 C LYS A 103 -11.739 -1.360 -6.374 1.00 0.00 C ATOM 1518 O LYS A 103 -11.480 -2.562 -6.283 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.718 0.133 -4.597 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.568 -0.962 -3.940 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.775 -0.326 -3.239 1.00 0.00 C ATOM 1522 CE LYS A 103 -15.615 -1.372 -2.498 1.00 0.00 C ATOM 1523 NZ LYS A 103 -16.205 -2.358 -3.421 1.00 0.00 N ATOM 0 H LYS A 103 -10.917 1.605 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.881 -0.980 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.469 0.890 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.304 0.628 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.906 -1.675 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.968 -1.519 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.430 0.430 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.396 0.185 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.991 -1.887 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.410 -0.873 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.859 -2.975 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.724 -1.862 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.449 -2.934 -3.844 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.282 -0.786 -7.451 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.644 -1.513 -8.661 1.00 0.00 C ATOM 1539 C ALA A 104 -11.441 -2.267 -9.246 1.00 0.00 C ATOM 1540 O ALA A 104 -11.542 -3.459 -9.533 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.233 -0.540 -9.686 1.00 0.00 C ATOM 0 H ALA A 104 -12.484 0.212 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.395 -2.260 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.504 -1.084 -10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.121 -0.066 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.494 0.224 -9.929 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.301 -1.594 -9.439 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.115 -2.254 -9.972 1.00 0.00 C ATOM 1549 C LEU A 105 -8.683 -3.393 -9.052 1.00 0.00 C ATOM 1550 O LEU A 105 -8.389 -4.486 -9.531 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.951 -1.270 -10.159 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.087 -0.330 -11.368 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.779 0.457 -11.504 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.350 -1.091 -12.673 1.00 0.00 C ATOM 0 H LEU A 105 -10.180 -0.602 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.378 -2.656 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.856 -0.666 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.027 -1.838 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.940 0.328 -11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.848 1.133 -12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.606 1.034 -10.596 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.952 -0.236 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.438 -0.382 -13.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.523 -1.774 -12.869 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.276 -1.659 -12.583 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.632 -3.169 -7.738 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.237 -4.235 -6.831 1.00 0.00 C ATOM 1568 C VAL A 106 -9.189 -5.413 -7.005 1.00 0.00 C ATOM 1569 O VAL A 106 -8.735 -6.544 -7.133 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.187 -3.751 -5.377 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.721 -4.908 -4.488 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.180 -2.611 -5.223 1.00 0.00 C ATOM 0 H VAL A 106 -8.854 -2.280 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.226 -4.558 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.180 -3.404 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.681 -4.576 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.420 -5.739 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.729 -5.233 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.159 -2.282 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.189 -2.960 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.473 -1.778 -5.862 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.496 -5.150 -7.042 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.495 -6.197 -7.246 1.00 0.00 C ATOM 1584 C ALA A 107 -11.175 -6.994 -8.516 1.00 0.00 C ATOM 1585 O ALA A 107 -11.086 -8.218 -8.472 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.905 -5.598 -7.327 1.00 0.00 C ATOM 0 H ALA A 107 -10.888 -4.215 -6.933 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.464 -6.873 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.631 -6.396 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.131 -5.073 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.956 -4.898 -8.161 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.993 -6.292 -9.640 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.659 -6.886 -10.931 1.00 0.00 C ATOM 1594 C LYS A 108 -9.439 -7.792 -10.820 1.00 0.00 C ATOM 1595 O LYS A 108 -9.489 -8.981 -11.128 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.385 -5.742 -11.926 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.900 -6.190 -13.315 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.482 -4.998 -14.188 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.637 -4.035 -14.484 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.216 -2.973 -15.415 1.00 0.00 N ATOM 0 H LYS A 108 -11.076 -5.276 -9.674 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.490 -7.501 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.298 -5.160 -12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.638 -5.076 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.056 -6.871 -13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.694 -6.745 -13.815 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.681 -4.453 -13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.076 -5.369 -15.129 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.474 -4.587 -14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.990 -3.589 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.016 -2.335 -15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.432 -2.433 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.902 -3.400 -16.310 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.322 -7.193 -10.424 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.048 -7.882 -10.360 1.00 0.00 C ATOM 1616 C HIS A 109 -7.059 -9.008 -9.320 1.00 0.00 C ATOM 1617 O HIS A 109 -6.413 -10.033 -9.533 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.947 -6.846 -10.129 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.648 -6.069 -11.388 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.726 -6.548 -12.317 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.216 -4.924 -11.884 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -4.778 -5.679 -13.330 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.645 -4.680 -13.113 1.00 0.00 N ATOM 0 H HIS A 109 -8.279 -6.215 -10.139 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.848 -8.385 -11.306 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.252 -6.159 -9.340 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.042 -7.346 -9.785 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.972 -4.324 -11.400 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.185 -5.771 -14.228 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.842 -3.896 -13.734 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.813 -8.876 -8.226 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.931 -9.898 -7.188 1.00 0.00 C ATOM 1633 C ALA A 110 -8.960 -10.967 -7.578 1.00 0.00 C ATOM 1634 O ALA A 110 -9.757 -11.400 -6.747 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.327 -9.230 -5.867 1.00 0.00 C ATOM 0 H ALA A 110 -8.367 -8.041 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.968 -10.396 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.417 -9.988 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.564 -8.506 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.283 -8.721 -5.989 1.00 0.00 H new ATOM 1641 N ALA A 111 -8.943 -11.405 -8.841 1.00 0.00 N ATOM 1642 CA ALA A 111 -9.856 -12.422 -9.349 1.00 0.00 C ATOM 1643 C ALA A 111 -9.690 -13.767 -8.629 1.00 0.00 C ATOM 1644 O ALA A 111 -10.607 -14.586 -8.648 1.00 0.00 O ATOM 1645 CB ALA A 111 -9.618 -12.596 -10.851 1.00 0.00 C ATOM 0 H ALA A 111 -8.288 -11.058 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.876 -12.087 -9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.296 -13.355 -11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -9.801 -11.650 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.588 -12.907 -11.022 1.00 0.00 H new ATOM 1651 N ALA A 112 -8.523 -14.011 -8.030 1.00 0.00 N ATOM 1652 CA ALA A 112 -8.170 -15.207 -7.294 1.00 0.00 C ATOM 1653 C ALA A 112 -6.945 -14.839 -6.461 1.00 0.00 C ATOM 1654 O ALA A 112 -6.332 -15.759 -5.875 1.00 0.00 O ATOM 1655 CB ALA A 112 -7.870 -16.358 -8.260 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.613 -13.631 -6.456 1.00 0.00 O ATOM 0 H ALA A 112 -7.761 -13.334 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.984 -15.548 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.606 -17.250 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.752 -16.562 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.039 -16.082 -8.908 1.00 0.00 H new TER 1662 ALA A 112