USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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= 0.41 K(o=1.8,f=-7.3!) USER MOD Set 1.2: A 85 TYR OH : rot -36:sc= 1.37 USER MOD Set 2.1: A 50 SER OG : rot -44:sc= 1.09 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -173:sc= 0.615 (180deg=0.535) USER MOD Set 3.1: A 24 HIS : no HD1:sc= 1.07 K(o=2.6,f=-8.4!) USER MOD Set 3.2: A 86 LYS NZ :NH3+ 174:sc= 1.53 (180deg=0.255) USER MOD Set 4.1: A 3 SER OG : rot -108:sc= 1.21 USER MOD Set 4.2: A 16 GLN : amide:sc= 2.1 K(o=3.3,f=2.3) USER MOD Single : A 9 SER OG : rot 55:sc= -0.234 USER MOD Single : A 10 LYS NZ :NH3+ 172:sc=-5.59e-05 (180deg=-0.0565) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.0345 (180deg=-0.287) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0.311 (180deg=0.152) USER MOD Single : A 32 THR OG1 : rot 154:sc= 0.448 USER MOD Single : A 34 THR OG1 : rot -126:sc= 1.07 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0322) USER MOD Single : A 41 MET CE :methyl -170:sc= -0.0449 (180deg=-0.169) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.913 USER MOD Single : A 51 ASN : amide:sc= -0.0652! X(o=-0.065!,f=-0.033) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0.604 (180deg=0.604) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.535 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 119:sc= 1.27 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0.655 (180deg=0.496) USER MOD Single : A 98 SER OG : rot 139:sc= 0.994 USER MOD Single : A 99 GLN : amide:sc= 0.962 K(o=0.96,f=-5.9!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 146:sc= -0.102 (180deg=-1.26) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 0.879 -8.055 4.867 1.00 0.00 N ATOM 18 CA SER A 3 1.366 -6.805 4.332 1.00 0.00 C ATOM 19 C SER A 3 0.204 -5.897 3.914 1.00 0.00 C ATOM 20 O SER A 3 -0.351 -6.058 2.823 1.00 0.00 O ATOM 21 CB SER A 3 2.252 -7.125 3.127 1.00 0.00 C ATOM 22 OG SER A 3 3.194 -8.121 3.471 1.00 0.00 O ATOM 0 HA SER A 3 1.936 -6.273 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.638 -7.466 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.768 -6.224 2.795 1.00 0.00 H new ATOM 0 HG SER A 3 4.087 -7.721 3.530 1.00 0.00 H new ATOM 28 N VAL A 4 -0.177 -4.981 4.807 1.00 0.00 N ATOM 29 CA VAL A 4 -1.127 -3.910 4.586 1.00 0.00 C ATOM 30 C VAL A 4 -0.582 -2.623 5.237 1.00 0.00 C ATOM 31 O VAL A 4 -1.343 -1.737 5.617 1.00 0.00 O ATOM 32 CB VAL A 4 -2.493 -4.315 5.162 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.169 -5.469 4.403 1.00 0.00 C ATOM 34 CG2 VAL A 4 -2.482 -4.646 6.651 1.00 0.00 C ATOM 0 H VAL A 4 0.196 -4.974 5.756 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.262 -3.721 3.521 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.081 -3.408 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.128 -5.698 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.329 -5.177 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.529 -6.351 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.487 -4.921 6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.803 -5.479 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.148 -3.775 7.215 1.00 0.00 H new ATOM 44 N ILE A 5 0.745 -2.534 5.363 1.00 0.00 N ATOM 45 CA ILE A 5 1.453 -1.498 6.109 1.00 0.00 C ATOM 46 C ILE A 5 1.991 -0.338 5.254 1.00 0.00 C ATOM 47 O ILE A 5 1.895 -0.326 4.023 1.00 0.00 O ATOM 48 CB ILE A 5 2.576 -2.175 6.934 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.492 -3.133 6.147 1.00 0.00 C ATOM 50 CG2 ILE A 5 1.933 -2.981 8.073 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.207 -2.495 4.954 1.00 0.00 C ATOM 0 H ILE A 5 1.376 -3.208 4.931 1.00 0.00 H new ATOM 0 HA ILE A 5 0.729 -1.016 6.765 1.00 0.00 H new ATOM 0 HB ILE A 5 3.209 -1.358 7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.240 -3.540 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.896 -3.973 5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.713 -3.463 8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.357 -2.312 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.273 -3.740 7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.829 -3.242 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.469 -2.114 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.834 -1.674 5.302 1.00 0.00 H new ATOM 63 N VAL A 6 2.551 0.653 5.962 1.00 0.00 N ATOM 64 CA VAL A 6 3.165 1.863 5.446 1.00 0.00 C ATOM 65 C VAL A 6 4.673 1.752 5.650 1.00 0.00 C ATOM 66 O VAL A 6 5.105 1.565 6.787 1.00 0.00 O ATOM 67 CB VAL A 6 2.632 3.096 6.206 1.00 0.00 C ATOM 68 CG1 VAL A 6 3.142 4.389 5.552 1.00 0.00 C ATOM 69 CG2 VAL A 6 1.102 3.154 6.281 1.00 0.00 C ATOM 0 H VAL A 6 2.584 0.618 6.981 1.00 0.00 H new ATOM 0 HA VAL A 6 2.928 1.979 4.388 1.00 0.00 H new ATOM 0 HB VAL A 6 3.008 3.001 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.758 5.250 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.232 4.402 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.799 4.434 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.798 4.046 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.689 3.189 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.729 2.268 6.795 1.00 0.00 H new ATOM 79 N ILE A 7 5.475 1.852 4.586 1.00 0.00 N ATOM 80 CA ILE A 7 6.926 1.814 4.715 1.00 0.00 C ATOM 81 C ILE A 7 7.569 2.416 3.467 1.00 0.00 C ATOM 82 O ILE A 7 7.002 2.360 2.376 1.00 0.00 O ATOM 83 CB ILE A 7 7.400 0.369 4.995 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.894 0.355 5.369 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.144 -0.556 3.796 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.315 -0.967 6.015 1.00 0.00 C ATOM 0 H ILE A 7 5.140 1.960 3.629 1.00 0.00 H new ATOM 0 HA ILE A 7 7.241 2.418 5.566 1.00 0.00 H new ATOM 0 HB ILE A 7 6.819 -0.009 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.493 0.527 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.103 1.176 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.491 -1.562 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.076 -0.582 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.683 -0.181 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.376 -0.930 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.737 -1.128 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.132 -1.786 5.320 1.00 0.00 H new ATOM 98 N ASP A 8 8.762 2.996 3.613 1.00 0.00 N ATOM 99 CA ASP A 8 9.594 3.527 2.540 1.00 0.00 C ATOM 100 C ASP A 8 10.198 2.311 1.835 1.00 0.00 C ATOM 101 O ASP A 8 11.366 1.955 1.971 1.00 0.00 O ATOM 102 CB ASP A 8 10.641 4.481 3.142 1.00 0.00 C ATOM 103 CG ASP A 8 11.549 3.827 4.186 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.987 3.206 5.118 1.00 0.00 O ATOM 105 OD2 ASP A 8 12.782 3.983 4.049 1.00 0.00 O ATOM 0 H ASP A 8 9.192 3.112 4.530 1.00 0.00 H new ATOM 0 HA ASP A 8 9.041 4.118 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.258 4.881 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.127 5.326 3.600 1.00 0.00 H new ATOM 110 N SER A 9 9.306 1.653 1.107 1.00 0.00 N ATOM 111 CA SER A 9 9.433 0.378 0.439 1.00 0.00 C ATOM 112 C SER A 9 10.601 0.261 -0.545 1.00 0.00 C ATOM 113 O SER A 9 10.389 0.300 -1.752 1.00 0.00 O ATOM 114 CB SER A 9 8.091 0.107 -0.249 1.00 0.00 C ATOM 115 OG SER A 9 7.011 0.210 0.663 1.00 0.00 O ATOM 0 H SER A 9 8.378 2.048 0.958 1.00 0.00 H new ATOM 0 HA SER A 9 9.673 -0.374 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.949 0.816 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.102 -0.889 -0.691 1.00 0.00 H new ATOM 0 HG SER A 9 7.036 1.086 1.102 1.00 0.00 H new ATOM 121 N LYS A 10 11.835 0.189 -0.037 1.00 0.00 N ATOM 122 CA LYS A 10 13.031 -0.166 -0.795 1.00 0.00 C ATOM 123 C LYS A 10 13.294 -1.674 -0.666 1.00 0.00 C ATOM 124 O LYS A 10 12.704 -2.480 -1.375 1.00 0.00 O ATOM 125 CB LYS A 10 14.171 0.737 -0.342 1.00 0.00 C ATOM 126 CG LYS A 10 15.440 0.583 -1.189 1.00 0.00 C ATOM 127 CD LYS A 10 16.471 1.628 -0.746 1.00 0.00 C ATOM 128 CE LYS A 10 17.785 1.506 -1.528 1.00 0.00 C ATOM 129 NZ LYS A 10 17.600 1.761 -2.969 1.00 0.00 N ATOM 0 H LYS A 10 12.032 0.383 0.945 1.00 0.00 H new ATOM 0 HA LYS A 10 12.912 0.007 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.840 1.775 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.408 0.517 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.849 -0.421 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.205 0.712 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.058 2.627 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.671 1.511 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.512 2.212 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.198 0.507 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.528 1.802 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.035 0.994 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.106 2.667 -3.101 1.00 0.00 H new ATOM 143 N ALA A 11 14.142 -2.095 0.277 1.00 0.00 N ATOM 144 CA ALA A 11 14.387 -3.521 0.499 1.00 0.00 C ATOM 145 C ALA A 11 13.059 -4.221 0.813 1.00 0.00 C ATOM 146 O ALA A 11 12.773 -5.321 0.342 1.00 0.00 O ATOM 147 CB ALA A 11 15.385 -3.699 1.646 1.00 0.00 C ATOM 0 H ALA A 11 14.666 -1.474 0.894 1.00 0.00 H new ATOM 0 HA ALA A 11 14.813 -3.970 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.566 -4.761 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.323 -3.206 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.977 -3.256 2.555 1.00 0.00 H new ATOM 153 N ALA A 12 12.223 -3.535 1.601 1.00 0.00 N ATOM 154 CA ALA A 12 10.904 -4.014 1.961 1.00 0.00 C ATOM 155 C ALA A 12 10.032 -4.220 0.717 1.00 0.00 C ATOM 156 O ALA A 12 9.181 -5.101 0.735 1.00 0.00 O ATOM 157 CB ALA A 12 10.255 -3.035 2.941 1.00 0.00 C ATOM 0 H ALA A 12 12.454 -2.627 2.004 1.00 0.00 H new ATOM 0 HA ALA A 12 11.000 -4.985 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.263 -3.395 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.870 -2.957 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.170 -2.054 2.473 1.00 0.00 H new ATOM 163 N TRP A 13 10.220 -3.441 -0.356 1.00 0.00 N ATOM 164 CA TRP A 13 9.461 -3.614 -1.593 1.00 0.00 C ATOM 165 C TRP A 13 9.775 -4.996 -2.162 1.00 0.00 C ATOM 166 O TRP A 13 8.863 -5.776 -2.440 1.00 0.00 O ATOM 167 CB TRP A 13 9.775 -2.449 -2.552 1.00 0.00 C ATOM 168 CG TRP A 13 9.686 -2.607 -4.037 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.565 -3.261 -4.830 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.830 -1.857 -4.941 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.262 -3.037 -6.157 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.225 -2.137 -6.280 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.803 -0.909 -4.757 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.621 -1.519 -7.383 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.235 -0.239 -5.851 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.634 -0.546 -7.164 1.00 0.00 C ATOM 0 H TRP A 13 10.898 -2.680 -0.388 1.00 0.00 H new ATOM 0 HA TRP A 13 8.385 -3.578 -1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.110 -1.629 -2.281 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.791 -2.122 -2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.384 -3.869 -4.476 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.741 -3.478 -6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.448 -0.695 -3.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.911 -1.788 -8.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.485 0.519 -5.683 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.182 -0.035 -8.001 1.00 0.00 H new ATOM 187 N ASP A 14 11.067 -5.315 -2.277 1.00 0.00 N ATOM 188 CA ASP A 14 11.510 -6.612 -2.774 1.00 0.00 C ATOM 189 C ASP A 14 10.941 -7.720 -1.891 1.00 0.00 C ATOM 190 O ASP A 14 10.367 -8.693 -2.382 1.00 0.00 O ATOM 191 CB ASP A 14 13.043 -6.680 -2.803 1.00 0.00 C ATOM 192 CG ASP A 14 13.648 -5.619 -3.714 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.375 -5.692 -4.931 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.357 -4.744 -3.172 1.00 0.00 O ATOM 0 H ASP A 14 11.828 -4.683 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 14 11.145 -6.747 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.430 -6.552 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.355 -7.668 -3.141 1.00 0.00 H new ATOM 199 N ALA A 15 11.092 -7.556 -0.576 1.00 0.00 N ATOM 200 CA ALA A 15 10.613 -8.525 0.398 1.00 0.00 C ATOM 201 C ALA A 15 9.111 -8.780 0.240 1.00 0.00 C ATOM 202 O ALA A 15 8.675 -9.931 0.213 1.00 0.00 O ATOM 203 CB ALA A 15 10.941 -8.040 1.812 1.00 0.00 C ATOM 0 H ALA A 15 11.551 -6.745 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 15 11.121 -9.473 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.581 -8.768 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.020 -7.926 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.456 -7.080 1.989 1.00 0.00 H new ATOM 209 N GLN A 16 8.320 -7.707 0.170 1.00 0.00 N ATOM 210 CA GLN A 16 6.870 -7.782 0.020 1.00 0.00 C ATOM 211 C GLN A 16 6.528 -8.505 -1.278 1.00 0.00 C ATOM 212 O GLN A 16 5.749 -9.454 -1.254 1.00 0.00 O ATOM 213 CB GLN A 16 6.237 -6.382 0.051 1.00 0.00 C ATOM 214 CG GLN A 16 5.449 -6.119 1.342 1.00 0.00 C ATOM 215 CD GLN A 16 6.207 -6.381 2.643 1.00 0.00 C ATOM 216 OE1 GLN A 16 5.657 -6.952 3.579 1.00 0.00 O ATOM 217 NE2 GLN A 16 7.468 -5.977 2.737 1.00 0.00 N ATOM 0 H GLN A 16 8.675 -6.752 0.217 1.00 0.00 H new ATOM 0 HA GLN A 16 6.459 -8.344 0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.020 -5.631 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.572 -6.269 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.117 -5.081 1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.553 -6.740 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.912 -5.503 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.993 -6.140 3.596 1.00 0.00 H new ATOM 226 N LEU A 17 7.098 -8.056 -2.401 1.00 0.00 N ATOM 227 CA LEU A 17 6.893 -8.693 -3.695 1.00 0.00 C ATOM 228 C LEU A 17 7.127 -10.199 -3.567 1.00 0.00 C ATOM 229 O LEU A 17 6.241 -10.991 -3.883 1.00 0.00 O ATOM 230 CB LEU A 17 7.840 -8.072 -4.732 1.00 0.00 C ATOM 231 CG LEU A 17 7.353 -6.716 -5.268 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.524 -5.962 -5.906 1.00 0.00 C ATOM 233 CD2 LEU A 17 6.265 -6.894 -6.335 1.00 0.00 C ATOM 0 H LEU A 17 7.712 -7.242 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 17 5.868 -8.532 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.825 -7.944 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.957 -8.763 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 17 6.943 -6.158 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.175 -5.001 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.301 -5.797 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.931 -6.550 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.943 -5.916 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.664 -7.472 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.414 -7.421 -5.903 1.00 0.00 H new ATOM 245 N ALA A 18 8.299 -10.581 -3.056 1.00 0.00 N ATOM 246 CA ALA A 18 8.671 -11.975 -2.890 1.00 0.00 C ATOM 247 C ALA A 18 7.640 -12.745 -2.055 1.00 0.00 C ATOM 248 O ALA A 18 7.017 -13.677 -2.565 1.00 0.00 O ATOM 249 CB ALA A 18 10.064 -12.045 -2.260 1.00 0.00 C ATOM 0 H ALA A 18 9.015 -9.924 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 18 8.692 -12.454 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.353 -13.088 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.783 -11.547 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.050 -11.550 -1.289 1.00 0.00 H new ATOM 255 N LYS A 19 7.436 -12.366 -0.784 1.00 0.00 N ATOM 256 CA LYS A 19 6.504 -13.097 0.076 1.00 0.00 C ATOM 257 C LYS A 19 5.089 -13.088 -0.511 1.00 0.00 C ATOM 258 O LYS A 19 4.314 -14.011 -0.277 1.00 0.00 O ATOM 259 CB LYS A 19 6.522 -12.542 1.511 1.00 0.00 C ATOM 260 CG LYS A 19 5.868 -11.166 1.662 1.00 0.00 C ATOM 261 CD LYS A 19 5.755 -10.713 3.125 1.00 0.00 C ATOM 262 CE LYS A 19 7.101 -10.535 3.836 1.00 0.00 C ATOM 263 NZ LYS A 19 7.950 -9.547 3.151 1.00 0.00 N ATOM 0 H LYS A 19 7.896 -11.572 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 19 6.834 -14.135 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.013 -13.248 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.556 -12.479 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.448 -10.431 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.873 -11.192 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.211 -9.769 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.161 -11.443 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.930 -10.218 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.619 -11.493 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.612 -9.126 3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.486 -10.016 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.353 -8.800 2.742 1.00 0.00 H new ATOM 277 N GLY A 20 4.755 -12.037 -1.264 1.00 0.00 N ATOM 278 CA GLY A 20 3.464 -11.873 -1.894 1.00 0.00 C ATOM 279 C GLY A 20 3.136 -12.993 -2.877 1.00 0.00 C ATOM 280 O GLY A 20 1.955 -13.265 -3.070 1.00 0.00 O ATOM 0 H GLY A 20 5.396 -11.266 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.693 -11.834 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.440 -10.918 -2.418 1.00 0.00 H new ATOM 284 N LYS A 21 4.143 -13.627 -3.502 1.00 0.00 N ATOM 285 CA LYS A 21 3.934 -14.677 -4.502 1.00 0.00 C ATOM 286 C LYS A 21 2.931 -14.171 -5.546 1.00 0.00 C ATOM 287 O LYS A 21 1.916 -14.798 -5.839 1.00 0.00 O ATOM 288 CB LYS A 21 3.484 -15.983 -3.828 1.00 0.00 C ATOM 289 CG LYS A 21 4.553 -16.490 -2.852 1.00 0.00 C ATOM 290 CD LYS A 21 4.098 -17.793 -2.189 1.00 0.00 C ATOM 291 CE LYS A 21 5.146 -18.263 -1.177 1.00 0.00 C ATOM 292 NZ LYS A 21 4.730 -19.512 -0.514 1.00 0.00 N ATOM 0 H LYS A 21 5.126 -13.422 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 21 4.869 -14.906 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.548 -15.818 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.290 -16.741 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.491 -16.653 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.746 -15.735 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.141 -17.641 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.943 -18.561 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.099 -18.418 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.305 -17.487 -0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.461 -19.804 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.833 -19.356 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.602 -20.258 -1.227 1.00 0.00 H new ATOM 306 N GLU A 22 3.282 -13.017 -6.114 1.00 0.00 N ATOM 307 CA GLU A 22 2.546 -12.185 -7.050 1.00 0.00 C ATOM 308 C GLU A 22 1.736 -12.921 -8.125 1.00 0.00 C ATOM 309 O GLU A 22 0.751 -12.348 -8.597 1.00 0.00 O ATOM 310 CB GLU A 22 3.544 -11.279 -7.776 1.00 0.00 C ATOM 311 CG GLU A 22 4.580 -10.529 -6.931 1.00 0.00 C ATOM 312 CD GLU A 22 5.926 -11.248 -6.837 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.913 -12.442 -6.462 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.945 -10.591 -7.140 1.00 0.00 O ATOM 0 H GLU A 22 4.190 -12.603 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 22 1.818 -11.653 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.083 -11.889 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.975 -10.540 -8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.736 -9.538 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.183 -10.386 -5.926 1.00 0.00 H new ATOM 321 N GLU A 23 2.211 -14.101 -8.564 1.00 0.00 N ATOM 322 CA GLU A 23 1.689 -14.984 -9.611 1.00 0.00 C ATOM 323 C GLU A 23 0.312 -14.524 -10.086 1.00 0.00 C ATOM 324 O GLU A 23 0.175 -13.944 -11.163 1.00 0.00 O ATOM 325 CB GLU A 23 1.675 -16.422 -9.064 1.00 0.00 C ATOM 326 CG GLU A 23 1.203 -17.446 -10.106 1.00 0.00 C ATOM 327 CD GLU A 23 1.221 -18.857 -9.527 1.00 0.00 C ATOM 328 OE1 GLU A 23 0.299 -19.153 -8.738 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.162 -19.604 -9.873 1.00 0.00 O ATOM 0 H GLU A 23 3.055 -14.495 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 23 2.332 -14.948 -10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.677 -16.688 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.022 -16.469 -8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.195 -17.197 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.847 -17.400 -10.984 1.00 0.00 H new ATOM 336 N HIS A 24 -0.694 -14.760 -9.247 1.00 0.00 N ATOM 337 CA HIS A 24 -2.021 -14.220 -9.453 1.00 0.00 C ATOM 338 C HIS A 24 -2.553 -13.759 -8.104 1.00 0.00 C ATOM 339 O HIS A 24 -3.376 -14.421 -7.477 1.00 0.00 O ATOM 340 CB HIS A 24 -2.965 -15.199 -10.160 1.00 0.00 C ATOM 341 CG HIS A 24 -4.222 -14.466 -10.561 1.00 0.00 C ATOM 342 ND1 HIS A 24 -4.306 -13.790 -11.779 1.00 0.00 N ATOM 343 CD2 HIS A 24 -5.302 -14.120 -9.795 1.00 0.00 C ATOM 344 CE1 HIS A 24 -5.414 -13.048 -11.688 1.00 0.00 C ATOM 345 NE2 HIS A 24 -6.013 -13.168 -10.495 1.00 0.00 N ATOM 0 H HIS A 24 -0.605 -15.332 -8.407 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.963 -13.370 -10.133 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.479 -15.622 -11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.209 -16.031 -9.499 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.551 -14.519 -8.823 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.785 -12.422 -12.486 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.833 -12.656 -10.169 1.00 0.00 H new ATOM 353 N LYS A 25 -2.019 -12.636 -7.632 1.00 0.00 N ATOM 354 CA LYS A 25 -2.501 -11.946 -6.448 1.00 0.00 C ATOM 355 C LYS A 25 -1.868 -10.555 -6.480 1.00 0.00 C ATOM 356 O LYS A 25 -0.647 -10.452 -6.588 1.00 0.00 O ATOM 357 CB LYS A 25 -2.220 -12.727 -5.158 1.00 0.00 C ATOM 358 CG LYS A 25 -0.845 -13.401 -5.075 1.00 0.00 C ATOM 359 CD LYS A 25 -0.792 -14.398 -3.906 1.00 0.00 C ATOM 360 CE LYS A 25 -1.824 -15.534 -3.982 1.00 0.00 C ATOM 361 NZ LYS A 25 -1.908 -16.124 -5.331 1.00 0.00 N ATOM 0 H LYS A 25 -1.224 -12.174 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.588 -11.859 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.322 -12.046 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.987 -13.493 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.633 -13.919 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.071 -12.644 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.206 -14.835 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.941 -13.852 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.560 -16.310 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.803 -15.152 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.428 -17.024 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.406 -15.468 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.949 -16.297 -5.695 1.00 0.00 H new ATOM 375 N PRO A 26 -2.674 -9.484 -6.479 1.00 0.00 N ATOM 376 CA PRO A 26 -2.165 -8.138 -6.652 1.00 0.00 C ATOM 377 C PRO A 26 -1.356 -7.626 -5.457 1.00 0.00 C ATOM 378 O PRO A 26 -1.762 -7.757 -4.302 1.00 0.00 O ATOM 379 CB PRO A 26 -3.400 -7.267 -6.918 1.00 0.00 C ATOM 380 CG PRO A 26 -4.523 -8.026 -6.216 1.00 0.00 C ATOM 381 CD PRO A 26 -4.128 -9.484 -6.425 1.00 0.00 C ATOM 0 HA PRO A 26 -1.453 -8.108 -7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.279 -6.263 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.594 -7.159 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.584 -7.771 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.496 -7.804 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.491 -10.111 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.556 -9.879 -7.346 1.00 0.00 H new ATOM 389 N ILE A 27 -0.203 -7.029 -5.772 1.00 0.00 N ATOM 390 CA ILE A 27 0.645 -6.277 -4.862 1.00 0.00 C ATOM 391 C ILE A 27 0.279 -4.842 -5.233 1.00 0.00 C ATOM 392 O ILE A 27 0.686 -4.376 -6.299 1.00 0.00 O ATOM 393 CB ILE A 27 2.138 -6.605 -5.090 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.562 -7.945 -4.460 1.00 0.00 C ATOM 395 CG2 ILE A 27 3.035 -5.522 -4.469 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.770 -9.156 -4.948 1.00 0.00 C ATOM 0 H ILE A 27 0.177 -7.063 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 27 0.496 -6.496 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 27 2.259 -6.658 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.619 -8.111 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.458 -7.872 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.081 -5.773 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.813 -4.559 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.848 -5.465 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.137 -10.055 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.714 -9.018 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.893 -9.261 -6.026 1.00 0.00 H new ATOM 408 N VAL A 28 -0.550 -4.180 -4.423 1.00 0.00 N ATOM 409 CA VAL A 28 -1.098 -2.866 -4.704 1.00 0.00 C ATOM 410 C VAL A 28 -0.270 -1.858 -3.921 1.00 0.00 C ATOM 411 O VAL A 28 -0.187 -1.926 -2.692 1.00 0.00 O ATOM 412 CB VAL A 28 -2.590 -2.801 -4.331 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.218 -1.568 -4.999 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.362 -4.034 -4.810 1.00 0.00 C ATOM 0 H VAL A 28 -0.863 -4.561 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.045 -2.641 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.652 -2.752 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.276 -1.513 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.712 -0.668 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.113 -1.647 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.410 -3.941 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.288 -4.111 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.938 -4.929 -4.353 1.00 0.00 H new ATOM 424 N VAL A 29 0.342 -0.931 -4.645 1.00 0.00 N ATOM 425 CA VAL A 29 1.285 0.031 -4.129 1.00 0.00 C ATOM 426 C VAL A 29 0.730 1.441 -4.246 1.00 0.00 C ATOM 427 O VAL A 29 0.716 2.012 -5.337 1.00 0.00 O ATOM 428 CB VAL A 29 2.593 -0.120 -4.906 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.628 0.855 -4.350 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.092 -1.563 -4.777 1.00 0.00 C ATOM 0 H VAL A 29 0.183 -0.831 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 29 1.468 -0.151 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 29 2.430 0.105 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.562 0.749 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.259 1.875 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.803 0.638 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.025 -1.676 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.262 -1.797 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.345 -2.244 -5.184 1.00 0.00 H new ATOM 440 N ASP A 30 0.294 1.989 -3.114 1.00 0.00 N ATOM 441 CA ASP A 30 -0.179 3.351 -2.971 1.00 0.00 C ATOM 442 C ASP A 30 1.036 4.252 -2.779 1.00 0.00 C ATOM 443 O ASP A 30 1.569 4.372 -1.671 1.00 0.00 O ATOM 444 CB ASP A 30 -1.124 3.433 -1.769 1.00 0.00 C ATOM 445 CG ASP A 30 -1.660 4.833 -1.481 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.329 5.767 -2.244 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.407 4.944 -0.484 1.00 0.00 O ATOM 0 H ASP A 30 0.262 1.468 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.730 3.673 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.967 2.763 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.600 3.069 -0.885 1.00 0.00 H new ATOM 452 N PHE A 31 1.503 4.841 -3.877 1.00 0.00 N ATOM 453 CA PHE A 31 2.538 5.851 -3.846 1.00 0.00 C ATOM 454 C PHE A 31 1.842 7.148 -3.466 1.00 0.00 C ATOM 455 O PHE A 31 0.914 7.554 -4.163 1.00 0.00 O ATOM 456 CB PHE A 31 3.205 5.988 -5.215 1.00 0.00 C ATOM 457 CG PHE A 31 4.144 4.861 -5.592 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.516 4.972 -5.296 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.683 3.785 -6.373 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.425 4.027 -5.798 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.603 2.876 -6.924 1.00 0.00 C ATOM 462 CZ PHE A 31 5.976 3.020 -6.666 1.00 0.00 C ATOM 0 H PHE A 31 1.167 4.624 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 31 3.323 5.591 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.427 6.060 -5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.761 6.925 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.870 5.786 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.625 3.658 -6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.467 4.075 -5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.253 2.066 -7.547 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.686 2.356 -7.136 1.00 0.00 H new ATOM 472 N THR A 32 2.276 7.792 -2.385 1.00 0.00 N ATOM 473 CA THR A 32 1.724 9.047 -1.897 1.00 0.00 C ATOM 474 C THR A 32 2.875 9.842 -1.279 1.00 0.00 C ATOM 475 O THR A 32 3.957 9.290 -1.112 1.00 0.00 O ATOM 476 CB THR A 32 0.571 8.759 -0.920 1.00 0.00 C ATOM 477 OG1 THR A 32 0.030 9.982 -0.469 1.00 0.00 O ATOM 478 CG2 THR A 32 1.017 7.932 0.291 1.00 0.00 C ATOM 0 H THR A 32 3.043 7.443 -1.810 1.00 0.00 H new ATOM 0 HA THR A 32 1.290 9.648 -2.696 1.00 0.00 H new ATOM 0 HB THR A 32 -0.175 8.175 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.906 9.850 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.164 7.758 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.415 6.975 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.790 8.473 0.836 1.00 0.00 H new ATOM 486 N ALA A 33 2.680 11.127 -0.972 1.00 0.00 N ATOM 487 CA ALA A 33 3.715 11.984 -0.397 1.00 0.00 C ATOM 488 C ALA A 33 3.262 12.450 0.983 1.00 0.00 C ATOM 489 O ALA A 33 2.291 13.195 1.088 1.00 0.00 O ATOM 490 CB ALA A 33 3.983 13.173 -1.323 1.00 0.00 C ATOM 0 H ALA A 33 1.790 11.604 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 33 4.646 11.428 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.755 13.807 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.317 12.809 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.067 13.751 -1.447 1.00 0.00 H new ATOM 496 N THR A 34 3.972 12.031 2.032 1.00 0.00 N ATOM 497 CA THR A 34 3.674 12.340 3.427 1.00 0.00 C ATOM 498 C THR A 34 3.290 13.802 3.649 1.00 0.00 C ATOM 499 O THR A 34 2.227 14.102 4.189 1.00 0.00 O ATOM 500 CB THR A 34 4.913 11.996 4.264 1.00 0.00 C ATOM 501 OG1 THR A 34 6.077 12.324 3.520 1.00 0.00 O ATOM 502 CG2 THR A 34 4.897 10.508 4.608 1.00 0.00 C ATOM 0 H THR A 34 4.801 11.446 1.927 1.00 0.00 H new ATOM 0 HA THR A 34 2.810 11.748 3.728 1.00 0.00 H new ATOM 0 HB THR A 34 4.911 12.567 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.665 11.542 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.777 10.263 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.997 10.276 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.905 9.922 3.689 1.00 0.00 H new ATOM 510 N TRP A 35 4.177 14.714 3.255 1.00 0.00 N ATOM 511 CA TRP A 35 3.975 16.146 3.428 1.00 0.00 C ATOM 512 C TRP A 35 2.710 16.642 2.719 1.00 0.00 C ATOM 513 O TRP A 35 2.088 17.605 3.173 1.00 0.00 O ATOM 514 CB TRP A 35 5.220 16.890 2.945 1.00 0.00 C ATOM 515 CG TRP A 35 5.740 16.515 1.590 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.741 15.637 1.359 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.331 17.007 0.279 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.027 15.603 0.011 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.170 16.408 -0.708 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.351 17.914 -0.180 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.044 16.695 -2.075 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.207 18.199 -1.551 1.00 0.00 C ATOM 523 CH2 TRP A 35 5.053 17.596 -2.497 1.00 0.00 C ATOM 0 H TRP A 35 5.060 14.476 2.804 1.00 0.00 H new ATOM 0 HA TRP A 35 3.824 16.350 4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.000 17.958 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.016 16.730 3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.241 15.051 2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.779 15.051 -0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.700 18.398 0.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.701 16.229 -2.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.441 18.886 -1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.941 17.825 -3.547 1.00 0.00 H new ATOM 534 N CYS A 36 2.310 16.017 1.607 1.00 0.00 N ATOM 535 CA CYS A 36 1.089 16.408 0.923 1.00 0.00 C ATOM 536 C CYS A 36 -0.082 15.856 1.734 1.00 0.00 C ATOM 537 O CYS A 36 -0.584 14.773 1.454 1.00 0.00 O ATOM 538 CB CYS A 36 1.075 15.896 -0.519 1.00 0.00 C ATOM 539 SG CYS A 36 -0.533 16.073 -1.333 1.00 0.00 S ATOM 0 H CYS A 36 2.814 15.245 1.170 1.00 0.00 H new ATOM 0 HA CYS A 36 1.016 17.494 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.826 16.436 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.363 14.845 -0.526 1.00 0.00 H new ATOM 544 N GLY A 37 -0.505 16.601 2.760 1.00 0.00 N ATOM 545 CA GLY A 37 -1.615 16.254 3.645 1.00 0.00 C ATOM 546 C GLY A 37 -2.755 15.524 2.918 1.00 0.00 C ATOM 547 O GLY A 37 -3.062 14.387 3.269 1.00 0.00 O ATOM 0 H GLY A 37 -0.068 17.490 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.245 15.624 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.006 17.163 4.102 1.00 0.00 H new ATOM 551 N PRO A 38 -3.377 16.139 1.898 1.00 0.00 N ATOM 552 CA PRO A 38 -4.445 15.517 1.123 1.00 0.00 C ATOM 553 C PRO A 38 -4.052 14.152 0.549 1.00 0.00 C ATOM 554 O PRO A 38 -4.851 13.220 0.544 1.00 0.00 O ATOM 555 CB PRO A 38 -4.774 16.517 0.010 1.00 0.00 C ATOM 556 CG PRO A 38 -4.400 17.861 0.633 1.00 0.00 C ATOM 557 CD PRO A 38 -3.167 17.511 1.463 1.00 0.00 C ATOM 0 HA PRO A 38 -5.306 15.308 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.199 16.318 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.828 16.480 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.178 18.612 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.205 18.260 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.256 17.602 0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.062 18.183 2.315 1.00 0.00 H new ATOM 565 N CYS A 39 -2.816 14.037 0.060 1.00 0.00 N ATOM 566 CA CYS A 39 -2.297 12.802 -0.509 1.00 0.00 C ATOM 567 C CYS A 39 -2.174 11.766 0.607 1.00 0.00 C ATOM 568 O CYS A 39 -2.520 10.596 0.428 1.00 0.00 O ATOM 569 CB CYS A 39 -0.924 13.005 -1.171 1.00 0.00 C ATOM 570 SG CYS A 39 -0.719 14.302 -2.420 1.00 0.00 S ATOM 0 H CYS A 39 -2.146 14.806 0.050 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.987 12.464 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.204 13.200 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.641 12.059 -1.633 1.00 0.00 H new ATOM 575 N LYS A 40 -1.653 12.183 1.764 1.00 0.00 N ATOM 576 CA LYS A 40 -1.474 11.311 2.910 1.00 0.00 C ATOM 577 C LYS A 40 -2.828 10.799 3.401 1.00 0.00 C ATOM 578 O LYS A 40 -2.962 9.614 3.683 1.00 0.00 O ATOM 579 CB LYS A 40 -0.697 12.047 4.009 1.00 0.00 C ATOM 580 CG LYS A 40 -0.434 11.133 5.216 1.00 0.00 C ATOM 581 CD LYS A 40 0.556 11.745 6.220 1.00 0.00 C ATOM 582 CE LYS A 40 0.172 13.155 6.685 1.00 0.00 C ATOM 583 NZ LYS A 40 -1.199 13.210 7.224 1.00 0.00 N ATOM 0 H LYS A 40 -1.344 13.142 1.925 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.887 10.440 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.251 12.406 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.260 12.924 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.377 10.926 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.045 10.177 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.627 11.092 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.546 11.779 5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.875 13.488 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.260 13.848 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.379 14.155 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.880 13.017 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.307 12.496 7.973 1.00 0.00 H new ATOM 597 N MET A 41 -3.841 11.665 3.478 1.00 0.00 N ATOM 598 CA MET A 41 -5.180 11.304 3.949 1.00 0.00 C ATOM 599 C MET A 41 -5.837 10.194 3.119 1.00 0.00 C ATOM 600 O MET A 41 -6.781 9.565 3.593 1.00 0.00 O ATOM 601 CB MET A 41 -6.070 12.554 3.987 1.00 0.00 C ATOM 602 CG MET A 41 -5.722 13.488 5.155 1.00 0.00 C ATOM 603 SD MET A 41 -5.842 12.801 6.832 1.00 0.00 S ATOM 604 CE MET A 41 -7.541 12.188 6.830 1.00 0.00 C ATOM 0 H MET A 41 -3.754 12.646 3.213 1.00 0.00 H new ATOM 0 HA MET A 41 -5.067 10.899 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.967 13.098 3.048 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.114 12.251 4.067 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.703 13.846 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.377 14.358 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.825 11.899 7.842 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.210 12.972 6.475 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.615 11.323 6.171 1.00 0.00 H new ATOM 614 N ILE A 42 -5.355 9.916 1.908 1.00 0.00 N ATOM 615 CA ILE A 42 -5.879 8.819 1.103 1.00 0.00 C ATOM 616 C ILE A 42 -5.290 7.482 1.596 1.00 0.00 C ATOM 617 O ILE A 42 -5.910 6.428 1.436 1.00 0.00 O ATOM 618 CB ILE A 42 -5.601 9.138 -0.375 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.530 10.301 -0.782 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.850 7.915 -1.265 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.048 11.055 -2.020 1.00 0.00 C ATOM 0 H ILE A 42 -4.600 10.439 1.464 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.959 8.710 1.208 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.555 9.416 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.530 9.909 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.613 10.999 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.645 8.173 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.194 7.101 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.889 7.600 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.747 11.859 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.061 11.476 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.992 10.369 -2.865 1.00 0.00 H new ATOM 633 N ALA A 43 -4.118 7.513 2.240 1.00 0.00 N ATOM 634 CA ALA A 43 -3.464 6.331 2.786 1.00 0.00 C ATOM 635 C ALA A 43 -4.383 5.542 3.735 1.00 0.00 C ATOM 636 O ALA A 43 -4.561 4.352 3.491 1.00 0.00 O ATOM 637 CB ALA A 43 -2.141 6.713 3.459 1.00 0.00 C ATOM 0 H ALA A 43 -3.594 8.374 2.396 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.241 5.662 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.666 5.818 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.480 7.176 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.335 7.416 4.269 1.00 0.00 H new ATOM 643 N PRO A 44 -4.978 6.117 4.802 1.00 0.00 N ATOM 644 CA PRO A 44 -5.871 5.376 5.688 1.00 0.00 C ATOM 645 C PRO A 44 -7.071 4.803 4.931 1.00 0.00 C ATOM 646 O PRO A 44 -7.524 3.699 5.224 1.00 0.00 O ATOM 647 CB PRO A 44 -6.301 6.348 6.792 1.00 0.00 C ATOM 648 CG PRO A 44 -6.090 7.717 6.154 1.00 0.00 C ATOM 649 CD PRO A 44 -4.852 7.479 5.291 1.00 0.00 C ATOM 0 HA PRO A 44 -5.361 4.513 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.341 6.195 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.699 6.226 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.949 8.026 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.924 8.494 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.806 8.190 4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.938 7.605 5.872 1.00 0.00 H new ATOM 657 N LEU A 45 -7.594 5.536 3.949 1.00 0.00 N ATOM 658 CA LEU A 45 -8.693 5.040 3.124 1.00 0.00 C ATOM 659 C LEU A 45 -8.259 3.748 2.429 1.00 0.00 C ATOM 660 O LEU A 45 -8.919 2.715 2.540 1.00 0.00 O ATOM 661 CB LEU A 45 -9.115 6.119 2.115 1.00 0.00 C ATOM 662 CG LEU A 45 -10.352 6.919 2.555 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.639 6.101 2.390 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.234 7.448 3.991 1.00 0.00 C ATOM 0 H LEU A 45 -7.275 6.474 3.706 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.560 4.815 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.283 6.806 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.320 5.647 1.154 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.404 7.784 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.493 6.698 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.762 5.824 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.577 5.199 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.135 8.005 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.116 6.611 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.367 8.105 4.067 1.00 0.00 H new ATOM 676 N PHE A 46 -7.123 3.782 1.734 1.00 0.00 N ATOM 677 CA PHE A 46 -6.592 2.579 1.105 1.00 0.00 C ATOM 678 C PHE A 46 -6.305 1.513 2.174 1.00 0.00 C ATOM 679 O PHE A 46 -6.557 0.331 1.950 1.00 0.00 O ATOM 680 CB PHE A 46 -5.348 2.957 0.301 1.00 0.00 C ATOM 681 CG PHE A 46 -4.578 1.784 -0.276 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.087 1.066 -1.371 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.282 1.507 0.189 1.00 0.00 C ATOM 684 CE1 PHE A 46 -4.242 0.205 -2.096 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.459 0.593 -0.493 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.915 -0.009 -1.675 1.00 0.00 C ATOM 0 H PHE A 46 -6.560 4.621 1.594 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.319 2.146 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.647 3.613 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.679 3.531 0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.123 1.174 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.915 2.000 1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.613 -0.294 -2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.478 0.355 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.253 -0.632 -2.258 1.00 0.00 H new ATOM 696 N GLU A 47 -5.820 1.908 3.356 1.00 0.00 N ATOM 697 CA GLU A 47 -5.577 0.992 4.466 1.00 0.00 C ATOM 698 C GLU A 47 -6.889 0.313 4.878 1.00 0.00 C ATOM 699 O GLU A 47 -6.890 -0.859 5.243 1.00 0.00 O ATOM 700 CB GLU A 47 -4.938 1.737 5.645 1.00 0.00 C ATOM 701 CG GLU A 47 -4.300 0.770 6.651 1.00 0.00 C ATOM 702 CD GLU A 47 -3.566 1.536 7.748 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.269 2.193 8.545 1.00 0.00 O ATOM 704 OE2 GLU A 47 -2.318 1.470 7.756 1.00 0.00 O ATOM 0 H GLU A 47 -5.585 2.878 3.567 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.879 0.218 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.180 2.426 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.695 2.338 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.070 0.139 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.604 0.108 6.135 1.00 0.00 H new ATOM 711 N THR A 48 -8.013 1.029 4.808 1.00 0.00 N ATOM 712 CA THR A 48 -9.320 0.461 5.111 1.00 0.00 C ATOM 713 C THR A 48 -9.583 -0.681 4.119 1.00 0.00 C ATOM 714 O THR A 48 -9.945 -1.783 4.528 1.00 0.00 O ATOM 715 CB THR A 48 -10.399 1.557 5.070 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.015 2.651 5.884 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.739 1.050 5.604 1.00 0.00 C ATOM 0 H THR A 48 -8.039 2.013 4.541 1.00 0.00 H new ATOM 0 HA THR A 48 -9.348 0.050 6.120 1.00 0.00 H new ATOM 0 HB THR A 48 -10.504 1.855 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.214 3.073 5.508 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.476 1.852 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.079 0.211 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.619 0.725 6.637 1.00 0.00 H new ATOM 725 N LEU A 49 -9.353 -0.447 2.819 1.00 0.00 N ATOM 726 CA LEU A 49 -9.494 -1.494 1.803 1.00 0.00 C ATOM 727 C LEU A 49 -8.513 -2.634 2.109 1.00 0.00 C ATOM 728 O LEU A 49 -8.845 -3.811 1.986 1.00 0.00 O ATOM 729 CB LEU A 49 -9.242 -0.904 0.404 1.00 0.00 C ATOM 730 CG LEU A 49 -9.640 -1.811 -0.767 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.162 -1.971 -0.824 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.170 -1.164 -2.076 1.00 0.00 C ATOM 0 H LEU A 49 -9.068 0.460 2.448 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.508 -1.894 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.790 0.034 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.183 -0.664 0.313 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.179 -2.789 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.429 -2.617 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.516 -2.416 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.626 -0.994 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.447 -1.800 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.641 -0.188 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.087 -1.044 -2.054 1.00 0.00 H new ATOM 744 N SER A 50 -7.303 -2.278 2.541 1.00 0.00 N ATOM 745 CA SER A 50 -6.283 -3.244 2.915 1.00 0.00 C ATOM 746 C SER A 50 -6.827 -4.183 3.992 1.00 0.00 C ATOM 747 O SER A 50 -6.787 -5.402 3.835 1.00 0.00 O ATOM 748 CB SER A 50 -4.998 -2.532 3.336 1.00 0.00 C ATOM 749 OG SER A 50 -4.584 -1.539 2.414 1.00 0.00 O ATOM 0 H SER A 50 -7.007 -1.307 2.640 1.00 0.00 H new ATOM 0 HA SER A 50 -6.025 -3.860 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.148 -2.072 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.202 -3.268 3.449 1.00 0.00 H new ATOM 0 HG SER A 50 -4.670 -1.884 1.501 1.00 0.00 H new ATOM 755 N ASN A 51 -7.373 -3.612 5.067 1.00 0.00 N ATOM 756 CA ASN A 51 -7.969 -4.372 6.156 1.00 0.00 C ATOM 757 C ASN A 51 -9.164 -5.176 5.637 1.00 0.00 C ATOM 758 O ASN A 51 -9.365 -6.306 6.072 1.00 0.00 O ATOM 759 CB ASN A 51 -8.407 -3.414 7.273 1.00 0.00 C ATOM 760 CG ASN A 51 -8.650 -4.090 8.627 1.00 0.00 C ATOM 761 OD1 ASN A 51 -8.390 -3.486 9.661 1.00 0.00 O ATOM 762 ND2 ASN A 51 -9.137 -5.328 8.679 1.00 0.00 N ATOM 0 H ASN A 51 -7.412 -2.602 5.203 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.233 -5.068 6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.644 -2.645 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.322 -2.908 6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.295 -5.776 9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.352 -5.828 7.816 1.00 0.00 H new ATOM 769 N ASP A 52 -9.970 -4.589 4.749 1.00 0.00 N ATOM 770 CA ASP A 52 -11.148 -5.242 4.192 1.00 0.00 C ATOM 771 C ASP A 52 -10.780 -6.548 3.489 1.00 0.00 C ATOM 772 O ASP A 52 -11.433 -7.567 3.695 1.00 0.00 O ATOM 773 CB ASP A 52 -11.849 -4.305 3.199 1.00 0.00 C ATOM 774 CG ASP A 52 -13.148 -4.914 2.691 1.00 0.00 C ATOM 775 OD1 ASP A 52 -14.125 -4.895 3.468 1.00 0.00 O ATOM 776 OD2 ASP A 52 -13.139 -5.374 1.529 1.00 0.00 O ATOM 0 H ASP A 52 -9.820 -3.643 4.397 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.822 -5.474 5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.056 -3.349 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.187 -4.101 2.358 1.00 0.00 H new ATOM 781 N TYR A 53 -9.736 -6.516 2.659 1.00 0.00 N ATOM 782 CA TYR A 53 -9.329 -7.691 1.902 1.00 0.00 C ATOM 783 C TYR A 53 -8.523 -8.634 2.793 1.00 0.00 C ATOM 784 O TYR A 53 -8.841 -9.818 2.870 1.00 0.00 O ATOM 785 CB TYR A 53 -8.529 -7.243 0.680 1.00 0.00 C ATOM 786 CG TYR A 53 -9.382 -6.915 -0.532 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.191 -5.763 -0.548 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.399 -7.784 -1.636 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.076 -5.529 -1.613 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.248 -7.522 -2.718 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.143 -6.442 -2.681 1.00 0.00 C ATOM 792 OH TYR A 53 -12.019 -6.253 -3.706 1.00 0.00 O ATOM 0 H TYR A 53 -9.161 -5.689 2.497 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.206 -8.240 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.941 -6.364 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.823 -8.030 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.131 -5.054 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.758 -8.653 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.704 -4.650 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.214 -8.158 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.925 -6.982 -4.355 1.00 0.00 H new ATOM 802 N ALA A 54 -7.472 -8.113 3.439 1.00 0.00 N ATOM 803 CA ALA A 54 -6.579 -8.800 4.372 1.00 0.00 C ATOM 804 C ALA A 54 -5.736 -9.931 3.763 1.00 0.00 C ATOM 805 O ALA A 54 -4.509 -9.915 3.897 1.00 0.00 O ATOM 806 CB ALA A 54 -7.378 -9.319 5.576 1.00 0.00 C ATOM 0 H ALA A 54 -7.208 -7.136 3.313 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.854 -8.048 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.706 -9.829 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.854 -8.481 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.143 -10.016 5.232 1.00 0.00 H new ATOM 812 N GLY A 55 -6.379 -10.917 3.135 1.00 0.00 N ATOM 813 CA GLY A 55 -5.796 -12.147 2.613 1.00 0.00 C ATOM 814 C GLY A 55 -4.977 -12.000 1.326 1.00 0.00 C ATOM 815 O GLY A 55 -3.936 -11.350 1.330 1.00 0.00 O ATOM 0 H GLY A 55 -7.384 -10.872 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.156 -12.579 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.600 -12.860 2.431 1.00 0.00 H new ATOM 819 N LYS A 56 -5.426 -12.633 0.234 1.00 0.00 N ATOM 820 CA LYS A 56 -4.693 -12.757 -1.030 1.00 0.00 C ATOM 821 C LYS A 56 -3.937 -11.498 -1.466 1.00 0.00 C ATOM 822 O LYS A 56 -2.783 -11.578 -1.877 1.00 0.00 O ATOM 823 CB LYS A 56 -5.640 -13.157 -2.169 1.00 0.00 C ATOM 824 CG LYS A 56 -6.478 -14.409 -1.881 1.00 0.00 C ATOM 825 CD LYS A 56 -6.855 -15.143 -3.179 1.00 0.00 C ATOM 826 CE LYS A 56 -7.466 -14.248 -4.267 1.00 0.00 C ATOM 827 NZ LYS A 56 -8.702 -13.582 -3.826 1.00 0.00 N ATOM 0 H LYS A 56 -6.339 -13.087 0.207 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.948 -13.528 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.312 -12.324 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.053 -13.326 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.919 -15.081 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.384 -14.127 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.963 -15.623 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.563 -15.936 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.737 -13.493 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.678 -14.850 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.072 -12.991 -4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.410 -14.299 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.498 -12.985 -2.999 1.00 0.00 H new ATOM 841 N VAL A 57 -4.581 -10.336 -1.381 1.00 0.00 N ATOM 842 CA VAL A 57 -4.016 -9.097 -1.890 1.00 0.00 C ATOM 843 C VAL A 57 -2.974 -8.554 -0.916 1.00 0.00 C ATOM 844 O VAL A 57 -3.188 -8.569 0.298 1.00 0.00 O ATOM 845 CB VAL A 57 -5.149 -8.077 -2.064 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.613 -6.725 -2.559 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.245 -8.620 -2.986 1.00 0.00 C ATOM 0 H VAL A 57 -5.504 -10.231 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.530 -9.281 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.598 -7.909 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.441 -6.025 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.899 -6.330 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.118 -6.860 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.034 -7.876 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.821 -8.839 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.661 -9.532 -2.559 1.00 0.00 H new ATOM 857 N ILE A 58 -1.841 -8.084 -1.441 1.00 0.00 N ATOM 858 CA ILE A 58 -0.799 -7.440 -0.652 1.00 0.00 C ATOM 859 C ILE A 58 -1.006 -5.945 -0.868 1.00 0.00 C ATOM 860 O ILE A 58 -1.066 -5.507 -2.014 1.00 0.00 O ATOM 861 CB ILE A 58 0.597 -7.923 -1.100 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.983 -9.251 -0.421 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.691 -6.893 -0.768 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.061 -10.421 -0.775 1.00 0.00 C ATOM 0 H ILE A 58 -1.623 -8.142 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.857 -7.686 0.408 1.00 0.00 H new ATOM 0 HB ILE A 58 0.532 -8.060 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.004 -9.508 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.976 -9.110 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.659 -7.270 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.474 -5.954 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.717 -6.724 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.398 -11.319 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.958 -10.187 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.086 -10.591 -1.851 1.00 0.00 H new ATOM 876 N PHE A 59 -1.143 -5.167 0.208 1.00 0.00 N ATOM 877 CA PHE A 59 -1.313 -3.725 0.105 1.00 0.00 C ATOM 878 C PHE A 59 -0.077 -3.073 0.679 1.00 0.00 C ATOM 879 O PHE A 59 0.509 -3.561 1.645 1.00 0.00 O ATOM 880 CB PHE A 59 -2.575 -3.245 0.814 1.00 0.00 C ATOM 881 CG PHE A 59 -3.866 -3.793 0.253 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.265 -5.102 0.573 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.750 -2.942 -0.433 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.546 -5.547 0.219 1.00 0.00 C ATOM 885 CE2 PHE A 59 -6.003 -3.412 -0.853 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.408 -4.713 -0.518 1.00 0.00 C ATOM 0 H PHE A 59 -1.139 -5.520 1.165 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.436 -3.446 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.509 -3.518 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.609 -2.156 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.586 -5.764 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.463 -1.921 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.873 -6.533 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.654 -2.774 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.379 -5.074 -0.825 1.00 0.00 H new ATOM 896 N LEU A 60 0.315 -1.965 0.064 1.00 0.00 N ATOM 897 CA LEU A 60 1.604 -1.383 0.326 1.00 0.00 C ATOM 898 C LEU A 60 1.517 0.132 0.193 1.00 0.00 C ATOM 899 O LEU A 60 1.147 0.624 -0.868 1.00 0.00 O ATOM 900 CB LEU A 60 2.525 -2.036 -0.722 1.00 0.00 C ATOM 901 CG LEU A 60 3.761 -2.662 -0.090 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.482 -3.479 -1.164 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.688 -1.586 0.475 1.00 0.00 C ATOM 0 H LEU A 60 -0.249 -1.459 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 60 1.981 -1.559 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.970 -2.801 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.832 -1.286 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 60 3.466 -3.306 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.373 -3.938 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.816 -4.257 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.772 -2.824 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.564 -2.058 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.004 -0.920 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.158 -1.012 1.235 1.00 0.00 H new ATOM 915 N LYS A 61 1.791 0.880 1.263 1.00 0.00 N ATOM 916 CA LYS A 61 1.781 2.341 1.228 1.00 0.00 C ATOM 917 C LYS A 61 3.237 2.812 1.265 1.00 0.00 C ATOM 918 O LYS A 61 3.947 2.517 2.228 1.00 0.00 O ATOM 919 CB LYS A 61 0.938 2.868 2.396 1.00 0.00 C ATOM 920 CG LYS A 61 -0.556 2.661 2.116 1.00 0.00 C ATOM 921 CD LYS A 61 -1.423 2.689 3.384 1.00 0.00 C ATOM 922 CE LYS A 61 -1.329 1.396 4.207 1.00 0.00 C ATOM 923 NZ LYS A 61 -1.914 0.236 3.510 1.00 0.00 N ATOM 0 H LYS A 61 2.025 0.490 2.176 1.00 0.00 H new ATOM 0 HA LYS A 61 1.323 2.732 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.217 2.353 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.142 3.928 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.901 3.436 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.695 1.705 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.120 3.531 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.462 2.859 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.283 1.189 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.840 1.538 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.932 -0.582 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.884 0.463 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.339 0.007 2.674 1.00 0.00 H new ATOM 937 N VAL A 62 3.684 3.511 0.214 1.00 0.00 N ATOM 938 CA VAL A 62 5.064 3.972 0.078 1.00 0.00 C ATOM 939 C VAL A 62 5.107 5.496 -0.046 1.00 0.00 C ATOM 940 O VAL A 62 4.331 6.102 -0.790 1.00 0.00 O ATOM 941 CB VAL A 62 5.754 3.252 -1.103 1.00 0.00 C ATOM 942 CG1 VAL A 62 5.038 3.465 -2.427 1.00 0.00 C ATOM 943 CG2 VAL A 62 7.196 3.722 -1.320 1.00 0.00 C ATOM 0 H VAL A 62 3.089 3.773 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 62 5.625 3.715 0.976 1.00 0.00 H new ATOM 0 HB VAL A 62 5.727 2.201 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.570 2.935 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.020 3.083 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.011 4.530 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.632 3.183 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.202 4.791 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.782 3.526 -0.422 1.00 0.00 H new ATOM 953 N ASP A 63 6.027 6.113 0.706 1.00 0.00 N ATOM 954 CA ASP A 63 6.218 7.551 0.690 1.00 0.00 C ATOM 955 C ASP A 63 7.160 7.926 -0.454 1.00 0.00 C ATOM 956 O ASP A 63 8.372 7.711 -0.371 1.00 0.00 O ATOM 957 CB ASP A 63 6.779 8.050 2.028 1.00 0.00 C ATOM 958 CG ASP A 63 6.927 9.573 2.052 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.407 10.240 1.128 1.00 0.00 O ATOM 960 OD2 ASP A 63 7.536 10.064 3.025 1.00 0.00 O ATOM 0 H ASP A 63 6.656 5.620 1.340 1.00 0.00 H new ATOM 0 HA ASP A 63 5.251 8.030 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.120 7.736 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.749 7.588 2.210 1.00 0.00 H new ATOM 965 N VAL A 64 6.586 8.511 -1.503 1.00 0.00 N ATOM 966 CA VAL A 64 7.264 9.049 -2.670 1.00 0.00 C ATOM 967 C VAL A 64 8.413 9.955 -2.229 1.00 0.00 C ATOM 968 O VAL A 64 9.478 9.944 -2.839 1.00 0.00 O ATOM 969 CB VAL A 64 6.234 9.832 -3.510 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.869 10.673 -4.624 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.227 8.867 -4.145 1.00 0.00 C ATOM 0 H VAL A 64 5.574 8.627 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 64 7.685 8.245 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 64 5.741 10.515 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.088 11.197 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.554 11.399 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.418 10.021 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.505 9.431 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.754 8.164 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.705 8.318 -3.361 1.00 0.00 H new ATOM 981 N ASP A 65 8.196 10.737 -1.165 1.00 0.00 N ATOM 982 CA ASP A 65 9.204 11.655 -0.664 1.00 0.00 C ATOM 983 C ASP A 65 10.456 10.907 -0.202 1.00 0.00 C ATOM 984 O ASP A 65 11.564 11.414 -0.345 1.00 0.00 O ATOM 985 CB ASP A 65 8.626 12.472 0.494 1.00 0.00 C ATOM 986 CG ASP A 65 9.531 13.654 0.809 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.553 14.571 -0.042 1.00 0.00 O ATOM 988 OD2 ASP A 65 10.152 13.634 1.892 1.00 0.00 O ATOM 0 H ASP A 65 7.323 10.746 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 65 9.492 12.323 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.629 12.828 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.520 11.841 1.376 1.00 0.00 H new ATOM 993 N ALA A 66 10.277 9.705 0.360 1.00 0.00 N ATOM 994 CA ALA A 66 11.382 8.910 0.863 1.00 0.00 C ATOM 995 C ALA A 66 12.045 8.161 -0.290 1.00 0.00 C ATOM 996 O ALA A 66 13.144 8.519 -0.711 1.00 0.00 O ATOM 997 CB ALA A 66 10.878 7.957 1.954 1.00 0.00 C ATOM 0 H ALA A 66 9.363 9.266 0.474 1.00 0.00 H new ATOM 0 HA ALA A 66 12.135 9.558 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.710 7.361 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.447 8.535 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.118 7.296 1.537 1.00 0.00 H new ATOM 1003 N VAL A 67 11.389 7.131 -0.836 1.00 0.00 N ATOM 1004 CA VAL A 67 11.996 6.337 -1.901 1.00 0.00 C ATOM 1005 C VAL A 67 11.753 6.991 -3.261 1.00 0.00 C ATOM 1006 O VAL A 67 11.174 6.388 -4.167 1.00 0.00 O ATOM 1007 CB VAL A 67 11.548 4.870 -1.849 1.00 0.00 C ATOM 1008 CG1 VAL A 67 12.157 4.164 -0.636 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.034 4.682 -1.838 1.00 0.00 C ATOM 0 H VAL A 67 10.453 6.834 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 67 13.074 6.318 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 67 11.913 4.422 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.828 3.125 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.244 4.199 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.833 4.664 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.800 3.618 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.612 5.177 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.607 5.116 -2.742 1.00 0.00 H new ATOM 1019 N ALA A 68 12.272 8.211 -3.417 1.00 0.00 N ATOM 1020 CA ALA A 68 12.190 8.967 -4.660 1.00 0.00 C ATOM 1021 C ALA A 68 12.657 8.098 -5.830 1.00 0.00 C ATOM 1022 O ALA A 68 12.032 8.091 -6.886 1.00 0.00 O ATOM 1023 CB ALA A 68 13.044 10.233 -4.540 1.00 0.00 C ATOM 0 H ALA A 68 12.766 8.704 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 68 11.157 9.260 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.985 10.801 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.675 10.844 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.081 9.956 -4.350 1.00 0.00 H new ATOM 1029 N ALA A 69 13.732 7.331 -5.615 1.00 0.00 N ATOM 1030 CA ALA A 69 14.294 6.417 -6.600 1.00 0.00 C ATOM 1031 C ALA A 69 13.244 5.406 -7.078 1.00 0.00 C ATOM 1032 O ALA A 69 13.046 5.236 -8.279 1.00 0.00 O ATOM 1033 CB ALA A 69 15.494 5.693 -5.984 1.00 0.00 C ATOM 0 H ALA A 69 14.242 7.333 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 69 14.619 6.989 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.920 5.007 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.248 6.423 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.170 5.133 -5.107 1.00 0.00 H new ATOM 1039 N VAL A 70 12.570 4.729 -6.144 1.00 0.00 N ATOM 1040 CA VAL A 70 11.560 3.735 -6.486 1.00 0.00 C ATOM 1041 C VAL A 70 10.410 4.436 -7.203 1.00 0.00 C ATOM 1042 O VAL A 70 9.940 3.963 -8.234 1.00 0.00 O ATOM 1043 CB VAL A 70 11.073 2.995 -5.227 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.016 1.935 -5.570 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.240 2.282 -4.534 1.00 0.00 C ATOM 0 H VAL A 70 12.710 4.855 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 70 11.989 2.983 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 70 10.639 3.748 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.695 1.433 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.158 2.415 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.443 1.203 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.875 1.765 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.683 1.559 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.993 3.015 -4.243 1.00 0.00 H new ATOM 1055 N ALA A 71 9.968 5.570 -6.656 1.00 0.00 N ATOM 1056 CA ALA A 71 8.873 6.344 -7.220 1.00 0.00 C ATOM 1057 C ALA A 71 9.144 6.707 -8.690 1.00 0.00 C ATOM 1058 O ALA A 71 8.333 6.415 -9.572 1.00 0.00 O ATOM 1059 CB ALA A 71 8.650 7.599 -6.371 1.00 0.00 C ATOM 0 H ALA A 71 10.364 5.974 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 71 7.967 5.738 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.830 8.181 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.403 7.308 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.558 8.202 -6.367 1.00 0.00 H new ATOM 1065 N GLU A 72 10.285 7.345 -8.973 1.00 0.00 N ATOM 1066 CA GLU A 72 10.610 7.763 -10.331 1.00 0.00 C ATOM 1067 C GLU A 72 10.868 6.545 -11.224 1.00 0.00 C ATOM 1068 O GLU A 72 10.428 6.538 -12.369 1.00 0.00 O ATOM 1069 CB GLU A 72 11.777 8.765 -10.328 1.00 0.00 C ATOM 1070 CG GLU A 72 13.143 8.163 -9.979 1.00 0.00 C ATOM 1071 CD GLU A 72 14.182 9.251 -9.738 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.637 9.832 -10.747 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.499 9.489 -8.551 1.00 0.00 O ATOM 0 H GLU A 72 10.994 7.580 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 72 9.754 8.286 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.841 9.229 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.553 9.559 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.052 7.541 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.474 7.514 -10.789 1.00 0.00 H new ATOM 1080 N ALA A 73 11.554 5.512 -10.715 1.00 0.00 N ATOM 1081 CA ALA A 73 11.812 4.302 -11.490 1.00 0.00 C ATOM 1082 C ALA A 73 10.492 3.656 -11.917 1.00 0.00 C ATOM 1083 O ALA A 73 10.332 3.264 -13.069 1.00 0.00 O ATOM 1084 CB ALA A 73 12.652 3.321 -10.667 1.00 0.00 C ATOM 0 H ALA A 73 11.938 5.495 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 73 12.370 4.568 -12.388 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.839 2.421 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.602 3.787 -10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.114 3.055 -9.757 1.00 0.00 H new ATOM 1090 N ALA A 74 9.547 3.540 -10.978 1.00 0.00 N ATOM 1091 CA ALA A 74 8.226 2.993 -11.239 1.00 0.00 C ATOM 1092 C ALA A 74 7.478 3.891 -12.229 1.00 0.00 C ATOM 1093 O ALA A 74 6.776 3.395 -13.110 1.00 0.00 O ATOM 1094 CB ALA A 74 7.479 2.848 -9.913 1.00 0.00 C ATOM 0 H ALA A 74 9.686 3.828 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 74 8.303 2.006 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.486 2.438 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.032 2.177 -9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.386 3.825 -9.439 1.00 0.00 H new ATOM 1100 N GLY A 75 7.624 5.210 -12.069 1.00 0.00 N ATOM 1101 CA GLY A 75 7.085 6.218 -12.974 1.00 0.00 C ATOM 1102 C GLY A 75 5.971 7.041 -12.337 1.00 0.00 C ATOM 1103 O GLY A 75 4.921 7.240 -12.945 1.00 0.00 O ATOM 0 H GLY A 75 8.135 5.612 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.888 6.884 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.704 5.729 -13.871 1.00 0.00 H new ATOM 1107 N ILE A 76 6.181 7.524 -11.110 1.00 0.00 N ATOM 1108 CA ILE A 76 5.206 8.365 -10.426 1.00 0.00 C ATOM 1109 C ILE A 76 5.424 9.811 -10.867 1.00 0.00 C ATOM 1110 O ILE A 76 6.554 10.295 -10.870 1.00 0.00 O ATOM 1111 CB ILE A 76 5.346 8.202 -8.900 1.00 0.00 C ATOM 1112 CG1 ILE A 76 4.585 6.963 -8.406 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.772 9.403 -8.130 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.885 5.679 -9.176 1.00 0.00 C ATOM 0 H ILE A 76 7.027 7.343 -10.569 1.00 0.00 H new ATOM 0 HA ILE A 76 4.190 8.068 -10.688 1.00 0.00 H new ATOM 0 HB ILE A 76 6.416 8.113 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.822 6.803 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.515 7.164 -8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.894 9.241 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.302 10.310 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.712 9.511 -8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.303 4.859 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.620 5.813 -10.225 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.947 5.447 -9.097 1.00 0.00 H new ATOM 1126 N THR A 77 4.335 10.489 -11.231 1.00 0.00 N ATOM 1127 CA THR A 77 4.315 11.886 -11.620 1.00 0.00 C ATOM 1128 C THR A 77 3.550 12.633 -10.527 1.00 0.00 C ATOM 1129 O THR A 77 4.142 13.288 -9.673 1.00 0.00 O ATOM 1130 CB THR A 77 3.648 11.994 -12.999 1.00 0.00 C ATOM 1131 OG1 THR A 77 2.424 11.276 -12.992 1.00 0.00 O ATOM 1132 CG2 THR A 77 4.556 11.400 -14.080 1.00 0.00 C ATOM 0 H THR A 77 3.411 10.057 -11.262 1.00 0.00 H new ATOM 0 HA THR A 77 5.309 12.323 -11.712 1.00 0.00 H new ATOM 0 HB THR A 77 3.468 13.047 -13.214 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.998 11.347 -13.872 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.069 11.484 -15.051 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.501 11.943 -14.100 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.745 10.350 -13.859 1.00 0.00 H new ATOM 1140 N ALA A 78 2.223 12.506 -10.555 1.00 0.00 N ATOM 1141 CA ALA A 78 1.321 13.063 -9.560 1.00 0.00 C ATOM 1142 C ALA A 78 1.108 12.031 -8.452 1.00 0.00 C ATOM 1143 O ALA A 78 1.147 10.826 -8.705 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.010 13.422 -10.225 1.00 0.00 C ATOM 0 H ALA A 78 1.737 11.997 -11.294 1.00 0.00 H new ATOM 0 HA ALA A 78 1.748 13.968 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.688 13.840 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.163 14.157 -11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.454 12.525 -10.657 1.00 0.00 H new ATOM 1150 N MET A 79 0.875 12.501 -7.227 1.00 0.00 N ATOM 1151 CA MET A 79 0.603 11.669 -6.066 1.00 0.00 C ATOM 1152 C MET A 79 -0.799 12.019 -5.543 1.00 0.00 C ATOM 1153 O MET A 79 -1.158 13.196 -5.554 1.00 0.00 O ATOM 1154 CB MET A 79 1.662 11.872 -4.966 1.00 0.00 C ATOM 1155 CG MET A 79 2.137 13.320 -4.781 1.00 0.00 C ATOM 1156 SD MET A 79 3.342 13.929 -5.992 1.00 0.00 S ATOM 1157 CE MET A 79 3.683 15.552 -5.280 1.00 0.00 C ATOM 0 H MET A 79 0.871 13.499 -7.014 1.00 0.00 H new ATOM 0 HA MET A 79 0.646 10.619 -6.355 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.254 11.516 -4.020 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.526 11.249 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.264 13.973 -4.808 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.574 13.413 -3.787 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.411 16.075 -5.899 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.761 16.131 -5.237 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.083 15.431 -4.273 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.577 11.040 -5.050 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.218 9.633 -4.997 1.00 0.00 C ATOM 1169 C PRO A 80 -1.234 8.970 -6.376 1.00 0.00 C ATOM 1170 O PRO A 80 -1.668 9.565 -7.362 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.242 8.962 -4.078 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.723 10.119 -3.215 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.743 11.274 -4.217 1.00 0.00 C ATOM 0 HA PRO A 80 -0.199 9.527 -4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.058 8.511 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.792 8.170 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.709 9.929 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.049 10.314 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.660 11.275 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.686 12.239 -3.714 1.00 0.00 H new ATOM 1181 N THR A 81 -0.730 7.739 -6.433 1.00 0.00 N ATOM 1182 CA THR A 81 -0.708 6.910 -7.625 1.00 0.00 C ATOM 1183 C THR A 81 -0.623 5.456 -7.160 1.00 0.00 C ATOM 1184 O THR A 81 0.222 5.113 -6.336 1.00 0.00 O ATOM 1185 CB THR A 81 0.455 7.334 -8.539 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.057 8.436 -9.328 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.886 6.228 -9.506 1.00 0.00 C ATOM 0 H THR A 81 -0.314 7.281 -5.622 1.00 0.00 H new ATOM 0 HA THR A 81 -1.609 7.028 -8.226 1.00 0.00 H new ATOM 0 HB THR A 81 1.290 7.574 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.634 9.204 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.709 6.586 -10.124 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.210 5.355 -8.939 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.045 5.954 -10.144 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.503 4.606 -7.683 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.640 3.213 -7.303 1.00 0.00 C ATOM 1197 C PHE A 82 -1.073 2.305 -8.385 1.00 0.00 C ATOM 1198 O PHE A 82 -1.576 2.327 -9.504 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.126 2.924 -7.097 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.680 3.640 -5.886 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.582 3.035 -4.620 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.157 4.960 -5.998 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.988 3.739 -3.478 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.502 5.681 -4.843 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.396 5.075 -3.582 1.00 0.00 C ATOM 0 H PHE A 82 -2.162 4.884 -8.410 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.086 3.021 -6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.681 3.229 -7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.274 1.850 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.195 2.031 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.258 5.418 -6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.986 3.250 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.848 6.701 -4.925 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.629 5.639 -2.691 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.041 1.513 -8.085 1.00 0.00 N ATOM 1216 CA HIS A 83 0.516 0.560 -9.046 1.00 0.00 C ATOM 1217 C HIS A 83 0.248 -0.855 -8.592 1.00 0.00 C ATOM 1218 O HIS A 83 0.277 -1.140 -7.399 1.00 0.00 O ATOM 1219 CB HIS A 83 2.023 0.760 -9.184 1.00 0.00 C ATOM 1220 CG HIS A 83 2.482 1.957 -9.963 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.801 2.029 -10.403 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.815 3.082 -10.364 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.859 3.166 -11.104 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.694 3.830 -11.117 1.00 0.00 N ATOM 0 H HIS A 83 0.427 1.514 -7.179 1.00 0.00 H new ATOM 0 HA HIS A 83 0.038 0.732 -10.011 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.450 0.823 -8.183 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.441 -0.130 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.791 3.336 -10.134 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.750 3.513 -11.607 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.498 4.712 -11.590 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.003 -1.738 -9.552 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.265 -3.132 -9.303 1.00 0.00 C ATOM 1234 C VAL A 84 0.864 -3.938 -9.872 1.00 0.00 C ATOM 1235 O VAL A 84 1.122 -3.867 -11.075 1.00 0.00 O ATOM 1236 CB VAL A 84 -1.573 -3.543 -9.963 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -1.765 -5.044 -9.948 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -2.669 -2.966 -9.099 1.00 0.00 C ATOM 0 H VAL A 84 -0.028 -1.490 -10.541 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.347 -3.306 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.580 -3.197 -10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.711 -5.295 -10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.946 -5.521 -10.487 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.777 -5.399 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.640 -3.227 -9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.590 -3.373 -8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.569 -1.881 -9.061 1.00 0.00 H new ATOM 1248 N TYR A 85 1.476 -4.748 -9.011 1.00 0.00 N ATOM 1249 CA TYR A 85 2.548 -5.620 -9.429 1.00 0.00 C ATOM 1250 C TYR A 85 2.144 -7.086 -9.281 1.00 0.00 C ATOM 1251 O TYR A 85 2.750 -7.844 -8.528 1.00 0.00 O ATOM 1252 CB TYR A 85 3.842 -5.284 -8.676 1.00 0.00 C ATOM 1253 CG TYR A 85 4.397 -3.901 -8.958 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.913 -2.783 -8.252 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.420 -3.731 -9.909 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.398 -1.499 -8.555 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.869 -2.441 -10.239 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.298 -1.320 -9.618 1.00 0.00 C ATOM 1259 OH TYR A 85 5.623 -0.070 -10.059 1.00 0.00 O ATOM 0 H TYR A 85 1.241 -4.812 -8.021 1.00 0.00 H new ATOM 0 HA TYR A 85 2.746 -5.455 -10.488 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.658 -5.376 -7.606 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.599 -6.024 -8.934 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.170 -2.912 -7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.861 -4.594 -10.386 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.078 -0.649 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.653 -2.313 -10.970 1.00 0.00 H new ATOM 0 HH TYR A 85 4.836 0.511 -10.005 1.00 0.00 H new ATOM 1269 N LYS A 86 1.089 -7.483 -9.996 1.00 0.00 N ATOM 1270 CA LYS A 86 0.699 -8.883 -10.081 1.00 0.00 C ATOM 1271 C LYS A 86 1.768 -9.570 -10.940 1.00 0.00 C ATOM 1272 O LYS A 86 2.353 -8.919 -11.805 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.695 -8.996 -10.712 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.339 -10.360 -10.423 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.621 -10.554 -11.244 1.00 0.00 C ATOM 1276 CE LYS A 86 -2.325 -11.033 -12.672 1.00 0.00 C ATOM 1277 NZ LYS A 86 -1.873 -12.437 -12.707 1.00 0.00 N ATOM 0 H LYS A 86 0.491 -6.848 -10.525 1.00 0.00 H new ATOM 0 HA LYS A 86 0.639 -9.356 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.335 -8.202 -10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.620 -8.850 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.631 -11.156 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.569 -10.439 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.264 -11.279 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.171 -9.614 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.222 -10.927 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.560 -10.396 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.783 -12.748 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.951 -12.517 -12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.567 -13.037 -12.217 1.00 0.00 H new ATOM 1291 N ASP A 87 2.053 -10.853 -10.704 1.00 0.00 N ATOM 1292 CA ASP A 87 3.070 -11.656 -11.391 1.00 0.00 C ATOM 1293 C ASP A 87 4.488 -11.269 -10.979 1.00 0.00 C ATOM 1294 O ASP A 87 5.277 -12.119 -10.575 1.00 0.00 O ATOM 1295 CB ASP A 87 2.928 -11.563 -12.914 1.00 0.00 C ATOM 1296 CG ASP A 87 3.789 -12.614 -13.601 1.00 0.00 C ATOM 1297 OD1 ASP A 87 3.349 -13.784 -13.622 1.00 0.00 O ATOM 1298 OD2 ASP A 87 4.875 -12.226 -14.084 1.00 0.00 O ATOM 0 H ASP A 87 1.556 -11.388 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 87 2.899 -12.688 -11.085 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.884 -11.700 -13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.221 -10.569 -13.251 1.00 0.00 H new ATOM 1303 N GLY A 88 4.802 -9.983 -11.078 1.00 0.00 N ATOM 1304 CA GLY A 88 6.088 -9.439 -10.667 1.00 0.00 C ATOM 1305 C GLY A 88 6.257 -8.019 -11.185 1.00 0.00 C ATOM 1306 O GLY A 88 6.479 -7.087 -10.415 1.00 0.00 O ATOM 0 H GLY A 88 4.162 -9.281 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.162 -9.447 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.893 -10.069 -11.046 1.00 0.00 H new ATOM 1310 N VAL A 89 6.173 -7.860 -12.504 1.00 0.00 N ATOM 1311 CA VAL A 89 6.293 -6.565 -13.158 1.00 0.00 C ATOM 1312 C VAL A 89 5.007 -5.759 -12.941 1.00 0.00 C ATOM 1313 O VAL A 89 3.983 -6.312 -12.544 1.00 0.00 O ATOM 1314 CB VAL A 89 6.603 -6.797 -14.652 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.430 -7.439 -15.410 1.00 0.00 C ATOM 1316 CG2 VAL A 89 7.034 -5.515 -15.375 1.00 0.00 C ATOM 0 H VAL A 89 6.019 -8.633 -13.151 1.00 0.00 H new ATOM 0 HA VAL A 89 7.109 -5.982 -12.731 1.00 0.00 H new ATOM 0 HB VAL A 89 7.441 -7.494 -14.656 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.705 -7.578 -16.455 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.195 -8.406 -14.965 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.557 -6.789 -15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.239 -5.739 -16.422 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.236 -4.776 -15.312 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.934 -5.118 -14.906 1.00 0.00 H new ATOM 1326 N LYS A 90 5.060 -4.445 -13.183 1.00 0.00 N ATOM 1327 CA LYS A 90 3.894 -3.574 -13.137 1.00 0.00 C ATOM 1328 C LYS A 90 2.853 -4.130 -14.114 1.00 0.00 C ATOM 1329 O LYS A 90 2.996 -3.994 -15.328 1.00 0.00 O ATOM 1330 CB LYS A 90 4.301 -2.140 -13.488 1.00 0.00 C ATOM 1331 CG LYS A 90 3.123 -1.171 -13.306 1.00 0.00 C ATOM 1332 CD LYS A 90 3.615 0.280 -13.267 1.00 0.00 C ATOM 1333 CE LYS A 90 4.358 0.646 -14.553 1.00 0.00 C ATOM 1334 NZ LYS A 90 4.602 2.098 -14.644 1.00 0.00 N ATOM 0 H LYS A 90 5.924 -3.957 -13.418 1.00 0.00 H new ATOM 0 HA LYS A 90 3.463 -3.547 -12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.133 -1.829 -12.855 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.653 -2.100 -14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.412 -1.297 -14.123 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.593 -1.405 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.767 0.951 -13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.274 0.421 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.309 0.114 -14.589 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.777 0.319 -15.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.821 2.352 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.753 2.613 -14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.404 2.354 -14.034 1.00 0.00 H new ATOM 1348 N ALA A 91 1.822 -4.776 -13.577 1.00 0.00 N ATOM 1349 CA ALA A 91 0.775 -5.421 -14.348 1.00 0.00 C ATOM 1350 C ALA A 91 -0.241 -4.401 -14.833 1.00 0.00 C ATOM 1351 O ALA A 91 -0.760 -4.501 -15.942 1.00 0.00 O ATOM 1352 CB ALA A 91 0.069 -6.441 -13.454 1.00 0.00 C ATOM 0 H ALA A 91 1.692 -4.865 -12.569 1.00 0.00 H new ATOM 0 HA ALA A 91 1.220 -5.909 -15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.721 -6.935 -14.019 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.789 -7.184 -13.111 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.364 -5.932 -12.593 1.00 0.00 H new ATOM 1358 N ASP A 92 -0.552 -3.445 -13.960 1.00 0.00 N ATOM 1359 CA ASP A 92 -1.564 -2.430 -14.176 1.00 0.00 C ATOM 1360 C ASP A 92 -1.278 -1.294 -13.197 1.00 0.00 C ATOM 1361 O ASP A 92 -0.443 -1.457 -12.304 1.00 0.00 O ATOM 1362 CB ASP A 92 -2.932 -3.088 -13.937 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.133 -2.170 -14.108 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -3.994 -1.149 -14.816 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.181 -2.533 -13.529 1.00 0.00 O ATOM 0 H ASP A 92 -0.088 -3.359 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.559 -2.020 -15.186 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.037 -3.929 -14.623 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.949 -3.497 -12.927 1.00 0.00 H new ATOM 1370 N ASP A 93 -1.919 -0.142 -13.362 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.781 0.965 -12.434 1.00 0.00 C ATOM 1372 C ASP A 93 -2.947 1.934 -12.604 1.00 0.00 C ATOM 1373 O ASP A 93 -3.800 1.747 -13.468 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.437 1.688 -12.618 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.266 2.319 -13.994 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.800 3.434 -14.175 1.00 0.00 O ATOM 1377 OD2 ASP A 93 0.428 1.692 -14.824 1.00 0.00 O ATOM 0 H ASP A 93 -2.547 0.047 -14.143 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.798 0.566 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.345 2.464 -11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.373 0.979 -12.450 1.00 0.00 H new ATOM 1382 N LEU A 94 -2.962 2.971 -11.768 1.00 0.00 N ATOM 1383 CA LEU A 94 -3.998 3.985 -11.716 1.00 0.00 C ATOM 1384 C LEU A 94 -3.473 5.209 -10.968 1.00 0.00 C ATOM 1385 O LEU A 94 -3.259 5.152 -9.760 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.210 3.376 -11.006 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.287 4.384 -10.595 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -6.768 5.197 -11.801 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.445 3.602 -9.974 1.00 0.00 C ATOM 0 H LEU A 94 -2.221 3.128 -11.085 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.288 4.307 -12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.661 2.631 -11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.865 2.850 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.879 5.093 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.532 5.905 -11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.927 5.741 -12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.187 4.524 -12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.230 4.294 -9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.844 2.900 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.088 3.054 -9.102 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.263 6.320 -11.672 1.00 0.00 N ATOM 1402 CA VAL A 95 -2.788 7.552 -11.057 1.00 0.00 C ATOM 1403 C VAL A 95 -3.918 8.255 -10.289 1.00 0.00 C ATOM 1404 O VAL A 95 -5.103 8.000 -10.525 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.181 8.477 -12.128 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -0.968 7.816 -12.796 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.192 8.902 -13.204 1.00 0.00 C ATOM 0 H VAL A 95 -3.417 6.389 -12.678 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.009 7.304 -10.336 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.868 9.379 -11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.556 8.488 -13.549 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.208 7.605 -12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.277 6.885 -13.271 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.701 9.552 -13.928 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.576 8.017 -13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.018 9.438 -12.736 1.00 0.00 H new ATOM 1417 N GLY A 96 -3.549 9.166 -9.383 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.490 9.981 -8.632 1.00 0.00 C ATOM 1419 C GLY A 96 -5.110 9.229 -7.457 1.00 0.00 C ATOM 1420 O GLY A 96 -4.774 8.079 -7.179 1.00 0.00 O ATOM 0 H GLY A 96 -2.574 9.355 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.980 10.870 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.282 10.323 -9.299 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.019 9.912 -6.751 1.00 0.00 N ATOM 1425 CA ALA A 97 -6.743 9.363 -5.612 1.00 0.00 C ATOM 1426 C ALA A 97 -7.569 8.160 -6.070 1.00 0.00 C ATOM 1427 O ALA A 97 -7.446 7.069 -5.521 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.632 10.459 -5.013 1.00 0.00 C ATOM 0 H ALA A 97 -6.272 10.877 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.049 9.023 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.179 10.058 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.011 11.293 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.339 10.806 -5.766 1.00 0.00 H new ATOM 1434 N SER A 98 -8.406 8.407 -7.082 1.00 0.00 N ATOM 1435 CA SER A 98 -9.217 7.465 -7.841 1.00 0.00 C ATOM 1436 C SER A 98 -9.689 6.229 -7.056 1.00 0.00 C ATOM 1437 O SER A 98 -9.623 5.115 -7.570 1.00 0.00 O ATOM 1438 CB SER A 98 -8.358 7.067 -9.046 1.00 0.00 C ATOM 1439 OG SER A 98 -7.762 8.220 -9.627 1.00 0.00 O ATOM 0 H SER A 98 -8.542 9.361 -7.417 1.00 0.00 H new ATOM 0 HA SER A 98 -10.153 7.946 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.583 6.366 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.972 6.554 -9.786 1.00 0.00 H new ATOM 0 HG SER A 98 -6.837 8.018 -9.880 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.212 6.415 -5.841 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.597 5.325 -4.951 1.00 0.00 C ATOM 1447 C GLN A 99 -11.654 4.410 -5.578 1.00 0.00 C ATOM 1448 O GLN A 99 -11.566 3.187 -5.475 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.113 5.886 -3.617 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.044 6.654 -2.820 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.067 8.162 -3.067 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -10.290 8.625 -4.181 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.850 8.957 -2.025 1.00 0.00 N ATOM 0 H GLN A 99 -10.381 7.340 -5.446 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.706 4.723 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.956 6.549 -3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.489 5.064 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.190 6.466 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.059 6.266 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.666 8.554 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.867 9.970 -2.144 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.669 5.001 -6.209 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.755 4.267 -6.848 1.00 0.00 C ATOM 1464 C ASP A 100 -13.196 3.252 -7.850 1.00 0.00 C ATOM 1465 O ASP A 100 -13.493 2.060 -7.776 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.734 5.252 -7.514 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.142 6.059 -8.672 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.950 6.428 -8.568 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.889 6.279 -9.649 1.00 0.00 O ATOM 0 H ASP A 100 -12.759 6.014 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.307 3.708 -6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.595 4.694 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.102 5.945 -6.757 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.361 3.726 -8.773 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.763 2.887 -9.793 1.00 0.00 C ATOM 1476 C LYS A 101 -10.745 1.946 -9.142 1.00 0.00 C ATOM 1477 O LYS A 101 -10.645 0.790 -9.541 1.00 0.00 O ATOM 1478 CB LYS A 101 -11.163 3.783 -10.883 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.753 2.970 -12.119 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.211 3.859 -13.246 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.298 4.739 -13.876 1.00 0.00 C ATOM 1482 NZ LYS A 101 -10.779 5.479 -15.040 1.00 0.00 N ATOM 0 H LYS A 101 -12.084 4.706 -8.829 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.507 2.253 -10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.889 4.543 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.293 4.307 -10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.993 2.241 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.613 2.408 -12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.417 4.494 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.765 3.231 -14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.139 4.118 -14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.675 5.442 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.537 6.065 -15.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.992 6.089 -14.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.442 4.806 -15.757 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.006 2.415 -8.132 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.036 1.593 -7.422 1.00 0.00 C ATOM 1498 C LEU A 102 -9.712 0.324 -6.917 1.00 0.00 C ATOM 1499 O LEU A 102 -9.224 -0.767 -7.192 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.408 2.379 -6.265 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.334 1.594 -5.502 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.129 1.273 -6.390 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.898 2.454 -4.318 1.00 0.00 C ATOM 0 H LEU A 102 -10.067 3.373 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.235 1.313 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.967 3.296 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.193 2.675 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.744 0.641 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.390 0.716 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.453 0.673 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.685 2.201 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.132 1.928 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.494 3.398 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.756 2.651 -3.676 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.836 0.452 -6.205 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.576 -0.703 -5.718 1.00 0.00 C ATOM 1517 C LYS A 103 -11.864 -1.671 -6.871 1.00 0.00 C ATOM 1518 O LYS A 103 -11.606 -2.870 -6.754 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.875 -0.225 -5.059 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.597 0.452 -3.711 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.867 0.791 -2.914 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.657 1.992 -3.455 1.00 0.00 C ATOM 1523 NZ LYS A 103 -15.508 1.648 -4.609 1.00 0.00 N ATOM 0 H LYS A 103 -11.250 1.350 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.982 -1.237 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.386 0.474 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.545 -1.072 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.966 -0.202 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.033 1.368 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.519 -0.082 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.589 0.992 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.281 2.398 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.960 2.778 -3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.377 2.219 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.993 1.843 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.756 0.639 -4.569 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.375 -1.150 -7.992 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.666 -1.964 -9.165 1.00 0.00 C ATOM 1539 C ALA A 104 -11.402 -2.685 -9.652 1.00 0.00 C ATOM 1540 O ALA A 104 -11.461 -3.866 -9.984 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.272 -1.097 -10.273 1.00 0.00 C ATOM 0 H ALA A 104 -12.595 -0.161 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.396 -2.725 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.485 -1.716 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.196 -0.643 -9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.566 -0.313 -10.549 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.255 -2.000 -9.697 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.011 -2.629 -10.118 1.00 0.00 C ATOM 1549 C LEU A 105 -8.608 -3.727 -9.130 1.00 0.00 C ATOM 1550 O LEU A 105 -8.324 -4.849 -9.544 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.885 -1.601 -10.278 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.112 -0.604 -11.427 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.842 0.232 -11.594 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.440 -1.268 -12.770 1.00 0.00 C ATOM 0 H LEU A 105 -10.168 -1.015 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.180 -3.082 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.776 -1.047 -9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.946 -2.128 -10.447 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.977 0.002 -11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.981 0.947 -12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.636 0.769 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.003 -0.423 -11.828 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.586 -0.500 -13.529 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.616 -1.918 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.351 -1.859 -12.671 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.577 -3.436 -7.825 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.229 -4.461 -6.844 1.00 0.00 C ATOM 1568 C VAL A 106 -9.121 -5.676 -7.075 1.00 0.00 C ATOM 1569 O VAL A 106 -8.619 -6.790 -7.175 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.335 -3.939 -5.402 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.960 -5.052 -4.413 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.360 -2.779 -5.189 1.00 0.00 C ATOM 0 H VAL A 106 -8.785 -2.518 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.186 -4.747 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.360 -3.608 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.038 -4.674 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.639 -5.895 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.937 -5.378 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.444 -2.417 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.341 -3.122 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.600 -1.971 -5.880 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.425 -5.445 -7.224 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.378 -6.510 -7.500 1.00 0.00 C ATOM 1584 C ALA A 107 -11.001 -7.276 -8.778 1.00 0.00 C ATOM 1585 O ALA A 107 -10.966 -8.503 -8.761 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.797 -5.940 -7.581 1.00 0.00 C ATOM 0 H ALA A 107 -10.845 -4.518 -7.157 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.347 -7.226 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.501 -6.746 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.054 -5.468 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.847 -5.200 -8.380 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.705 -6.574 -9.880 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.285 -7.170 -11.152 1.00 0.00 C ATOM 1594 C LYS A 108 -9.165 -8.185 -10.931 1.00 0.00 C ATOM 1595 O LYS A 108 -9.262 -9.328 -11.371 1.00 0.00 O ATOM 1596 CB LYS A 108 -9.838 -6.052 -12.125 1.00 0.00 C ATOM 1597 CG LYS A 108 -8.746 -6.405 -13.158 1.00 0.00 C ATOM 1598 CD LYS A 108 -8.302 -5.183 -13.976 1.00 0.00 C ATOM 1599 CE LYS A 108 -9.426 -4.583 -14.830 1.00 0.00 C ATOM 1600 NZ LYS A 108 -8.913 -3.510 -15.699 1.00 0.00 N ATOM 0 H LYS A 108 -10.752 -5.556 -9.911 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.128 -7.702 -11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -10.717 -5.707 -12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.481 -5.211 -11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.884 -6.827 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.122 -7.174 -13.833 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.923 -4.419 -13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.475 -5.470 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.881 -5.364 -15.440 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.209 -4.188 -14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.693 -3.120 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.501 -2.756 -15.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.183 -3.895 -16.332 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.086 -7.754 -10.278 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.908 -8.597 -10.122 1.00 0.00 C ATOM 1616 C HIS A 109 -7.128 -9.676 -9.056 1.00 0.00 C ATOM 1617 O HIS A 109 -6.817 -10.846 -9.275 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.701 -7.707 -9.809 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.349 -6.772 -10.944 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.647 -7.212 -12.065 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -5.661 -5.449 -11.122 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -4.577 -6.143 -12.867 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.173 -5.063 -12.349 1.00 0.00 N ATOM 0 H HIS A 109 -8.006 -6.831 -9.852 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.715 -9.132 -11.052 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.910 -7.121 -8.914 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.840 -8.337 -9.584 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.195 -4.822 -10.424 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.090 -6.151 -13.831 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.250 -4.140 -12.777 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.659 -9.289 -7.897 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.877 -10.165 -6.753 1.00 0.00 C ATOM 1633 C ALA A 110 -8.959 -11.214 -6.997 1.00 0.00 C ATOM 1634 O ALA A 110 -8.882 -12.304 -6.435 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.295 -9.316 -5.552 1.00 0.00 C ATOM 0 H ALA A 110 -7.957 -8.329 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.940 -10.693 -6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.461 -9.962 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.507 -8.599 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.215 -8.781 -5.787 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.978 -10.871 -7.789 1.00 0.00 N ATOM 1642 CA ALA A 111 -11.156 -11.691 -8.032 1.00 0.00 C ATOM 1643 C ALA A 111 -11.854 -11.966 -6.694 1.00 0.00 C ATOM 1644 O ALA A 111 -12.235 -13.099 -6.402 1.00 0.00 O ATOM 1645 CB ALA A 111 -10.779 -12.974 -8.786 1.00 0.00 C ATOM 0 H ALA A 111 -10.001 -9.985 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.859 -11.161 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.674 -13.572 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.328 -12.714 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.067 -13.548 -8.193 1.00 0.00 H new