USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 747 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 22 THR OG1 : rot -80:sc= 0.775 USER MOD Set 1.2: A 23 ASN : amide:sc= 0.633 K(o=1.4,f=-9.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0297 (180deg=-0.502) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0.0131 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.999 USER MOD Single : A 16 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.257 F(o=-1.2,f=-0.26) USER MOD Single : A 27 TYR OH : rot 112:sc= 1.21 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -126:sc= -0.348 (180deg=-1.62) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc=-0.000318 (180deg=-0.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -149:sc= -2.06 (180deg=-5.14!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00721 USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= -2.42 (180deg=-6.61!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.45 K(o=-1.4,f=-2!) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 67 CYS SG : rot 87:sc= -0.65! USER MOD Single : A 68 THR OG1 : rot 150:sc= 0.0222 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 73 ASN : amide:sc= -0.0582 K(o=-0.058,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -0.0629 (180deg=-0.494) USER MOD Single : A 84 SER OG : rot 180:sc= -0.702 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 6.069 27.740 2.520 1.00 0.00 N ATOM 2 CA GLY A -6 5.664 27.703 3.914 1.00 0.00 C ATOM 3 C GLY A -6 5.967 26.371 4.570 1.00 0.00 C ATOM 4 O GLY A -6 6.733 26.305 5.531 1.00 0.00 O ATOM 0 H1 GLY A -6 5.841 28.671 2.117 1.00 0.00 H new ATOM 0 H2 GLY A -6 7.094 27.575 2.452 1.00 0.00 H new ATOM 0 H3 GLY A -6 5.563 27.000 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A -6 6.174 28.497 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A -6 4.595 27.904 3.984 1.00 0.00 H new ATOM 8 N SER A -5 5.363 25.306 4.052 1.00 0.00 N ATOM 9 CA SER A -5 5.568 23.970 4.597 1.00 0.00 C ATOM 10 C SER A -5 6.197 23.048 3.556 1.00 0.00 C ATOM 11 O SER A -5 7.148 22.324 3.847 1.00 0.00 O ATOM 12 CB SER A -5 4.239 23.383 5.078 1.00 0.00 C ATOM 13 OG SER A -5 3.269 23.406 4.046 1.00 0.00 O ATOM 0 H SER A -5 4.727 25.343 3.255 1.00 0.00 H new ATOM 0 HA SER A -5 6.249 24.051 5.444 1.00 0.00 H new ATOM 0 HB2 SER A -5 4.391 22.358 5.415 1.00 0.00 H new ATOM 0 HB3 SER A -5 3.876 23.950 5.935 1.00 0.00 H new ATOM 0 HG SER A -5 2.430 23.024 4.378 1.00 0.00 H new ATOM 19 N SER A -4 5.657 23.083 2.342 1.00 0.00 N ATOM 20 CA SER A -4 6.162 22.249 1.258 1.00 0.00 C ATOM 21 C SER A -4 7.332 22.926 0.551 1.00 0.00 C ATOM 22 O SER A -4 7.311 24.132 0.308 1.00 0.00 O ATOM 23 CB SER A -4 5.046 21.952 0.253 1.00 0.00 C ATOM 24 OG SER A -4 4.362 23.137 -0.114 1.00 0.00 O ATOM 0 H SER A -4 4.871 23.679 2.085 1.00 0.00 H new ATOM 0 HA SER A -4 6.514 21.311 1.688 1.00 0.00 H new ATOM 0 HB2 SER A -4 5.468 21.482 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A -4 4.342 21.241 0.686 1.00 0.00 H new ATOM 0 HG SER A -4 3.655 22.921 -0.758 1.00 0.00 H new ATOM 30 N GLY A -3 8.352 22.139 0.223 1.00 0.00 N ATOM 31 CA GLY A -3 9.518 22.679 -0.453 1.00 0.00 C ATOM 32 C GLY A -3 9.381 22.645 -1.962 1.00 0.00 C ATOM 33 O GLY A -3 8.670 21.802 -2.509 1.00 0.00 O ATOM 0 H GLY A -3 8.392 21.138 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A -3 9.678 23.707 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A -3 10.400 22.111 -0.159 1.00 0.00 H new ATOM 37 N SER A -2 10.062 23.565 -2.638 1.00 0.00 N ATOM 38 CA SER A -2 10.008 23.641 -4.093 1.00 0.00 C ATOM 39 C SER A -2 10.925 22.597 -4.725 1.00 0.00 C ATOM 40 O SER A -2 10.944 22.429 -5.944 1.00 0.00 O ATOM 41 CB SER A -2 10.406 25.040 -4.567 1.00 0.00 C ATOM 42 OG SER A -2 11.807 25.231 -4.472 1.00 0.00 O ATOM 0 H SER A -2 10.658 24.268 -2.201 1.00 0.00 H new ATOM 0 HA SER A -2 8.984 23.437 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A -2 10.085 25.183 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A -2 9.892 25.791 -3.967 1.00 0.00 H new ATOM 0 HG SER A -2 12.036 26.132 -4.782 1.00 0.00 H new ATOM 48 N SER A -1 11.683 21.899 -3.886 1.00 0.00 N ATOM 49 CA SER A -1 12.605 20.874 -4.362 1.00 0.00 C ATOM 50 C SER A -1 12.949 19.893 -3.245 1.00 0.00 C ATOM 51 O SER A -1 13.264 20.294 -2.126 1.00 0.00 O ATOM 52 CB SER A -1 13.883 21.519 -4.901 1.00 0.00 C ATOM 53 OG SER A -1 14.710 20.559 -5.536 1.00 0.00 O ATOM 0 H SER A -1 11.677 22.024 -2.874 1.00 0.00 H new ATOM 0 HA SER A -1 12.116 20.325 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.626 22.307 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.429 21.990 -4.084 1.00 0.00 H new ATOM 0 HG SER A -1 15.519 20.996 -5.873 1.00 0.00 H new ATOM 59 N GLY A 0 12.887 18.603 -3.560 1.00 0.00 N ATOM 60 CA GLY A 0 13.194 17.583 -2.574 1.00 0.00 C ATOM 61 C GLY A 0 12.002 16.699 -2.263 1.00 0.00 C ATOM 62 O GLY A 0 10.990 17.169 -1.745 1.00 0.00 O ATOM 0 H GLY A 0 12.630 18.246 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 0 14.015 16.965 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.537 18.061 -1.656 1.00 0.00 H new ATOM 66 N MET A 1 12.122 15.414 -2.582 1.00 0.00 N ATOM 67 CA MET A 1 11.045 14.462 -2.335 1.00 0.00 C ATOM 68 C MET A 1 10.963 14.107 -0.854 1.00 0.00 C ATOM 69 O MET A 1 9.895 14.181 -0.246 1.00 0.00 O ATOM 70 CB MET A 1 11.255 13.194 -3.164 1.00 0.00 C ATOM 71 CG MET A 1 10.053 12.264 -3.168 1.00 0.00 C ATOM 72 SD MET A 1 10.225 10.912 -4.349 1.00 0.00 S ATOM 73 CE MET A 1 9.636 11.694 -5.848 1.00 0.00 C ATOM 0 H MET A 1 12.953 15.008 -3.012 1.00 0.00 H new ATOM 0 HA MET A 1 10.106 14.929 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.489 13.476 -4.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.119 12.655 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.914 11.853 -2.168 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.156 12.837 -3.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.681 10.982 -6.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.606 12.021 -5.707 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.262 12.556 -6.079 1.00 0.00 H new ATOM 83 N SER A 2 12.098 13.721 -0.279 1.00 0.00 N ATOM 84 CA SER A 2 12.153 13.351 1.130 1.00 0.00 C ATOM 85 C SER A 2 11.624 14.479 2.010 1.00 0.00 C ATOM 86 O SER A 2 11.991 15.640 1.838 1.00 0.00 O ATOM 87 CB SER A 2 13.588 13.006 1.533 1.00 0.00 C ATOM 88 OG SER A 2 14.354 14.179 1.746 1.00 0.00 O ATOM 0 H SER A 2 12.991 13.657 -0.767 1.00 0.00 H new ATOM 0 HA SER A 2 11.521 12.475 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.579 12.404 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.052 12.401 0.754 1.00 0.00 H new ATOM 0 HG SER A 2 15.266 13.931 2.004 1.00 0.00 H new ATOM 94 N GLY A 3 10.756 14.127 2.955 1.00 0.00 N ATOM 95 CA GLY A 3 10.189 15.121 3.848 1.00 0.00 C ATOM 96 C GLY A 3 10.680 14.966 5.274 1.00 0.00 C ATOM 97 O GLY A 3 11.756 15.449 5.623 1.00 0.00 O ATOM 0 H GLY A 3 10.436 13.172 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.443 16.117 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.102 15.043 3.831 1.00 0.00 H new ATOM 101 N GLY A 4 9.888 14.291 6.101 1.00 0.00 N ATOM 102 CA GLY A 4 10.264 14.088 7.488 1.00 0.00 C ATOM 103 C GLY A 4 9.735 12.782 8.047 1.00 0.00 C ATOM 104 O GLY A 4 9.669 11.776 7.339 1.00 0.00 O ATOM 0 H GLY A 4 8.993 13.881 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.351 14.102 7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.887 14.916 8.088 1.00 0.00 H new ATOM 108 N LEU A 5 9.357 12.796 9.321 1.00 0.00 N ATOM 109 CA LEU A 5 8.832 11.603 9.976 1.00 0.00 C ATOM 110 C LEU A 5 7.307 11.628 10.011 1.00 0.00 C ATOM 111 O LEU A 5 6.651 10.689 9.563 1.00 0.00 O ATOM 112 CB LEU A 5 9.385 11.493 11.398 1.00 0.00 C ATOM 113 CG LEU A 5 9.369 10.095 12.018 1.00 0.00 C ATOM 114 CD1 LEU A 5 10.354 10.013 13.174 1.00 0.00 C ATOM 115 CD2 LEU A 5 7.966 9.734 12.483 1.00 0.00 C ATOM 0 H LEU A 5 9.404 13.620 9.920 1.00 0.00 H new ATOM 0 HA LEU A 5 9.150 10.733 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.413 11.856 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.812 12.161 12.042 1.00 0.00 H new ATOM 0 HG LEU A 5 9.673 9.377 11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.329 9.011 13.603 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.359 10.227 12.811 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.081 10.741 13.937 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.974 8.736 12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.633 10.456 13.229 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.285 9.751 11.632 1.00 0.00 H new ATOM 127 N ALA A 6 6.751 12.710 10.546 1.00 0.00 N ATOM 128 CA ALA A 6 5.304 12.859 10.636 1.00 0.00 C ATOM 129 C ALA A 6 4.618 12.324 9.384 1.00 0.00 C ATOM 130 O ALA A 6 5.006 12.627 8.256 1.00 0.00 O ATOM 131 CB ALA A 6 4.937 14.319 10.859 1.00 0.00 C ATOM 0 H ALA A 6 7.281 13.496 10.923 1.00 0.00 H new ATOM 0 HA ALA A 6 4.955 12.274 11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.853 14.416 10.924 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.389 14.670 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.305 14.918 10.026 1.00 0.00 H new ATOM 137 N PRO A 7 3.573 11.507 9.584 1.00 0.00 N ATOM 138 CA PRO A 7 2.811 10.912 8.483 1.00 0.00 C ATOM 139 C PRO A 7 1.983 11.945 7.726 1.00 0.00 C ATOM 140 O PRO A 7 1.256 12.735 8.328 1.00 0.00 O ATOM 141 CB PRO A 7 1.896 9.906 9.186 1.00 0.00 C ATOM 142 CG PRO A 7 1.749 10.433 10.572 1.00 0.00 C ATOM 143 CD PRO A 7 3.054 11.102 10.902 1.00 0.00 C ATOM 0 HA PRO A 7 3.463 10.464 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.930 9.832 8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.332 8.907 9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.922 11.140 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.535 9.628 11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.911 11.960 11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.737 10.422 11.411 1.00 0.00 H new ATOM 151 N SER A 8 2.098 11.933 6.401 1.00 0.00 N ATOM 152 CA SER A 8 1.363 12.872 5.562 1.00 0.00 C ATOM 153 C SER A 8 -0.001 12.306 5.180 1.00 0.00 C ATOM 154 O SER A 8 -0.251 11.108 5.318 1.00 0.00 O ATOM 155 CB SER A 8 2.165 13.197 4.300 1.00 0.00 C ATOM 156 OG SER A 8 3.155 14.177 4.563 1.00 0.00 O ATOM 0 H SER A 8 2.693 11.284 5.886 1.00 0.00 H new ATOM 0 HA SER A 8 1.210 13.788 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.638 12.290 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.493 13.555 3.520 1.00 0.00 H new ATOM 0 HG SER A 8 3.655 14.366 3.741 1.00 0.00 H new ATOM 162 N LYS A 9 -0.882 13.176 4.698 1.00 0.00 N ATOM 163 CA LYS A 9 -2.222 12.766 4.294 1.00 0.00 C ATOM 164 C LYS A 9 -2.158 11.679 3.225 1.00 0.00 C ATOM 165 O LYS A 9 -2.852 10.667 3.314 1.00 0.00 O ATOM 166 CB LYS A 9 -3.009 13.968 3.768 1.00 0.00 C ATOM 167 CG LYS A 9 -4.514 13.769 3.797 1.00 0.00 C ATOM 168 CD LYS A 9 -5.247 15.083 4.004 1.00 0.00 C ATOM 169 CE LYS A 9 -5.467 15.372 5.481 1.00 0.00 C ATOM 170 NZ LYS A 9 -4.339 16.145 6.070 1.00 0.00 N ATOM 0 H LYS A 9 -0.692 14.171 4.577 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.731 12.362 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.755 14.846 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.698 14.175 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.840 13.313 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.775 13.076 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.675 15.895 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.208 15.049 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.395 15.930 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.584 14.433 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.651 16.594 6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.545 15.504 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.033 16.878 5.399 1.00 0.00 H new ATOM 184 N SER A 10 -1.320 11.896 2.216 1.00 0.00 N ATOM 185 CA SER A 10 -1.168 10.937 1.129 1.00 0.00 C ATOM 186 C SER A 10 -1.133 9.509 1.665 1.00 0.00 C ATOM 187 O SER A 10 -1.858 8.635 1.189 1.00 0.00 O ATOM 188 CB SER A 10 0.109 11.228 0.338 1.00 0.00 C ATOM 189 OG SER A 10 1.219 11.389 1.203 1.00 0.00 O ATOM 0 H SER A 10 -0.736 12.728 2.129 1.00 0.00 H new ATOM 0 HA SER A 10 -2.028 11.037 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.302 10.413 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.026 12.131 -0.257 1.00 0.00 H new ATOM 0 HG SER A 10 2.023 11.572 0.673 1.00 0.00 H new ATOM 195 N THR A 11 -0.283 9.279 2.662 1.00 0.00 N ATOM 196 CA THR A 11 -0.151 7.958 3.263 1.00 0.00 C ATOM 197 C THR A 11 -1.515 7.309 3.471 1.00 0.00 C ATOM 198 O THR A 11 -2.534 7.995 3.552 1.00 0.00 O ATOM 199 CB THR A 11 0.583 8.028 4.616 1.00 0.00 C ATOM 200 OG1 THR A 11 1.876 8.618 4.442 1.00 0.00 O ATOM 201 CG2 THR A 11 0.730 6.641 5.224 1.00 0.00 C ATOM 0 H THR A 11 0.324 9.991 3.070 1.00 0.00 H new ATOM 0 HA THR A 11 0.434 7.353 2.571 1.00 0.00 H new ATOM 0 HB THR A 11 -0.008 8.644 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.335 8.660 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.251 6.715 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.257 6.207 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.302 6.006 4.547 1.00 0.00 H new ATOM 209 N VAL A 12 -1.527 5.983 3.558 1.00 0.00 N ATOM 210 CA VAL A 12 -2.766 5.241 3.758 1.00 0.00 C ATOM 211 C VAL A 12 -2.592 4.155 4.813 1.00 0.00 C ATOM 212 O VAL A 12 -1.930 3.144 4.575 1.00 0.00 O ATOM 213 CB VAL A 12 -3.252 4.595 2.447 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.543 3.825 2.677 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.437 5.652 1.369 1.00 0.00 C ATOM 0 H VAL A 12 -0.692 5.400 3.493 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.513 5.958 4.099 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.493 3.891 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.871 3.376 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.373 3.041 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.312 4.505 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.781 5.178 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.176 6.382 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.487 6.154 1.185 1.00 0.00 H new ATOM 225 N TYR A 13 -3.191 4.369 5.979 1.00 0.00 N ATOM 226 CA TYR A 13 -3.101 3.409 7.073 1.00 0.00 C ATOM 227 C TYR A 13 -3.864 2.131 6.740 1.00 0.00 C ATOM 228 O TYR A 13 -5.095 2.116 6.720 1.00 0.00 O ATOM 229 CB TYR A 13 -3.648 4.021 8.363 1.00 0.00 C ATOM 230 CG TYR A 13 -3.173 3.319 9.615 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.312 1.944 9.760 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.583 4.031 10.653 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.881 1.299 10.903 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.147 3.393 11.799 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.299 2.028 11.919 1.00 0.00 C ATOM 236 OH TYR A 13 -1.866 1.388 13.058 1.00 0.00 O ATOM 0 H TYR A 13 -3.744 5.199 6.191 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.050 3.157 7.216 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.354 5.070 8.411 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.737 3.996 8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.765 1.370 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.463 5.101 10.562 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.999 0.230 11.001 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.690 3.961 12.596 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.479 2.044 13.675 1.00 0.00 H new ATOM 246 N VAL A 14 -3.124 1.058 6.478 1.00 0.00 N ATOM 247 CA VAL A 14 -3.729 -0.226 6.148 1.00 0.00 C ATOM 248 C VAL A 14 -3.326 -1.299 7.153 1.00 0.00 C ATOM 249 O VAL A 14 -2.145 -1.611 7.303 1.00 0.00 O ATOM 250 CB VAL A 14 -3.329 -0.688 4.734 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.211 -1.840 4.278 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.405 0.473 3.753 1.00 0.00 C ATOM 0 H VAL A 14 -2.104 1.053 6.488 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.809 -0.085 6.185 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.298 -1.042 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.913 -2.152 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.101 -2.677 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.252 -1.517 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.119 0.129 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.424 0.859 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.726 1.264 4.072 1.00 0.00 H new ATOM 262 N SER A 15 -4.316 -1.860 7.840 1.00 0.00 N ATOM 263 CA SER A 15 -4.064 -2.896 8.835 1.00 0.00 C ATOM 264 C SER A 15 -4.652 -4.232 8.389 1.00 0.00 C ATOM 265 O SER A 15 -5.363 -4.306 7.388 1.00 0.00 O ATOM 266 CB SER A 15 -4.658 -2.491 10.186 1.00 0.00 C ATOM 267 OG SER A 15 -5.925 -1.879 10.023 1.00 0.00 O ATOM 0 H SER A 15 -5.299 -1.615 7.726 1.00 0.00 H new ATOM 0 HA SER A 15 -2.985 -3.010 8.940 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.755 -3.370 10.823 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.981 -1.803 10.693 1.00 0.00 H new ATOM 0 HG SER A 15 -6.284 -1.631 10.901 1.00 0.00 H new ATOM 273 N ASN A 16 -4.348 -5.285 9.140 1.00 0.00 N ATOM 274 CA ASN A 16 -4.845 -6.619 8.823 1.00 0.00 C ATOM 275 C ASN A 16 -4.342 -7.076 7.457 1.00 0.00 C ATOM 276 O ASN A 16 -5.034 -7.798 6.738 1.00 0.00 O ATOM 277 CB ASN A 16 -6.375 -6.635 8.847 1.00 0.00 C ATOM 278 CG ASN A 16 -6.928 -6.979 10.217 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.776 -6.214 11.169 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.574 -8.134 10.321 1.00 0.00 N ATOM 0 H ASN A 16 -3.760 -5.241 9.972 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.469 -7.309 9.579 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.751 -5.659 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.740 -7.359 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.969 -8.419 11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.676 -8.737 9.504 1.00 0.00 H new ATOM 287 N LEU A 17 -3.134 -6.651 7.105 1.00 0.00 N ATOM 288 CA LEU A 17 -2.537 -7.017 5.825 1.00 0.00 C ATOM 289 C LEU A 17 -1.739 -8.312 5.947 1.00 0.00 C ATOM 290 O LEU A 17 -1.084 -8.574 6.956 1.00 0.00 O ATOM 291 CB LEU A 17 -1.631 -5.892 5.323 1.00 0.00 C ATOM 292 CG LEU A 17 -2.337 -4.699 4.678 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.397 -3.507 4.589 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.861 -5.071 3.299 1.00 0.00 C ATOM 0 H LEU A 17 -2.548 -6.053 7.688 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.342 -7.174 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.039 -5.528 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.933 -6.311 4.598 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.185 -4.421 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.917 -2.667 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.071 -3.226 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.529 -3.772 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.360 -4.210 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.029 -5.375 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.569 -5.895 3.389 1.00 0.00 H new ATOM 306 N PRO A 18 -1.793 -9.141 4.894 1.00 0.00 N ATOM 307 CA PRO A 18 -1.079 -10.421 4.857 1.00 0.00 C ATOM 308 C PRO A 18 0.432 -10.240 4.763 1.00 0.00 C ATOM 309 O PRO A 18 1.013 -10.337 3.681 1.00 0.00 O ATOM 310 CB PRO A 18 -1.618 -11.091 3.591 1.00 0.00 C ATOM 311 CG PRO A 18 -2.060 -9.964 2.724 1.00 0.00 C ATOM 312 CD PRO A 18 -2.553 -8.893 3.658 1.00 0.00 C ATOM 0 HA PRO A 18 -1.239 -11.003 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.849 -11.689 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.446 -11.762 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.237 -9.598 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.849 -10.282 2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.362 -7.896 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.627 -8.969 3.825 1.00 0.00 H new ATOM 320 N PHE A 19 1.065 -9.975 5.901 1.00 0.00 N ATOM 321 CA PHE A 19 2.509 -9.780 5.946 1.00 0.00 C ATOM 322 C PHE A 19 3.222 -10.783 5.044 1.00 0.00 C ATOM 323 O PHE A 19 4.314 -10.516 4.542 1.00 0.00 O ATOM 324 CB PHE A 19 3.019 -9.916 7.382 1.00 0.00 C ATOM 325 CG PHE A 19 2.357 -11.023 8.151 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.186 -10.792 8.855 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.904 -12.296 8.169 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.575 -11.808 9.564 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.297 -13.317 8.876 1.00 0.00 C ATOM 330 CZ PHE A 19 1.130 -13.073 9.574 1.00 0.00 C ATOM 0 H PHE A 19 0.600 -9.890 6.805 1.00 0.00 H new ATOM 0 HA PHE A 19 2.726 -8.775 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.095 -10.091 7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.859 -8.974 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.746 -9.806 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.815 -12.493 7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.336 -11.613 10.110 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.735 -14.304 8.883 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.653 -13.869 10.126 1.00 0.00 H new ATOM 340 N SER A 20 2.596 -11.938 4.842 1.00 0.00 N ATOM 341 CA SER A 20 3.171 -12.984 4.005 1.00 0.00 C ATOM 342 C SER A 20 3.782 -12.391 2.739 1.00 0.00 C ATOM 343 O SER A 20 4.763 -12.911 2.206 1.00 0.00 O ATOM 344 CB SER A 20 2.104 -14.015 3.634 1.00 0.00 C ATOM 345 OG SER A 20 2.631 -15.008 2.771 1.00 0.00 O ATOM 0 H SER A 20 1.690 -12.173 5.247 1.00 0.00 H new ATOM 0 HA SER A 20 3.960 -13.477 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.717 -14.484 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.265 -13.516 3.149 1.00 0.00 H new ATOM 0 HG SER A 20 1.929 -15.655 2.550 1.00 0.00 H new ATOM 351 N LEU A 21 3.196 -11.298 2.262 1.00 0.00 N ATOM 352 CA LEU A 21 3.682 -10.632 1.059 1.00 0.00 C ATOM 353 C LEU A 21 4.911 -9.782 1.365 1.00 0.00 C ATOM 354 O LEU A 21 5.377 -9.731 2.504 1.00 0.00 O ATOM 355 CB LEU A 21 2.581 -9.758 0.456 1.00 0.00 C ATOM 356 CG LEU A 21 1.185 -10.381 0.398 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.222 -9.466 -0.342 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.240 -11.750 -0.265 1.00 0.00 C ATOM 0 H LEU A 21 2.383 -10.854 2.690 1.00 0.00 H new ATOM 0 HA LEU A 21 3.964 -11.399 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.521 -8.835 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.877 -9.483 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 21 0.821 -10.507 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.766 -9.926 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.160 -8.508 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.580 -9.307 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.238 -12.179 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.624 -11.648 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.897 -12.405 0.307 1.00 0.00 H new ATOM 370 N THR A 22 5.431 -9.112 0.341 1.00 0.00 N ATOM 371 CA THR A 22 6.605 -8.263 0.500 1.00 0.00 C ATOM 372 C THR A 22 6.339 -6.855 -0.019 1.00 0.00 C ATOM 373 O THR A 22 5.420 -6.637 -0.806 1.00 0.00 O ATOM 374 CB THR A 22 7.825 -8.848 -0.236 1.00 0.00 C ATOM 375 OG1 THR A 22 9.008 -8.127 0.127 1.00 0.00 O ATOM 376 CG2 THR A 22 7.629 -8.784 -1.743 1.00 0.00 C ATOM 0 H THR A 22 5.057 -9.141 -0.608 1.00 0.00 H new ATOM 0 HA THR A 22 6.821 -8.219 1.567 1.00 0.00 H new ATOM 0 HB THR A 22 7.932 -9.892 0.057 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.052 -7.292 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.503 -9.203 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.744 -9.357 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.499 -7.746 -2.049 1.00 0.00 H new ATOM 384 N ASN A 23 7.151 -5.902 0.428 1.00 0.00 N ATOM 385 CA ASN A 23 7.003 -4.513 0.008 1.00 0.00 C ATOM 386 C ASN A 23 6.605 -4.429 -1.463 1.00 0.00 C ATOM 387 O ASN A 23 5.717 -3.662 -1.833 1.00 0.00 O ATOM 388 CB ASN A 23 8.307 -3.747 0.239 1.00 0.00 C ATOM 389 CG ASN A 23 9.533 -4.590 -0.055 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.488 -5.506 -0.876 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.637 -4.284 0.618 1.00 0.00 N ATOM 0 H ASN A 23 7.918 -6.066 1.080 1.00 0.00 H new ATOM 0 HA ASN A 23 6.212 -4.061 0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.320 -2.859 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.345 -3.403 1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.493 -4.817 0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.629 -3.516 1.289 1.00 0.00 H new ATOM 398 N ASN A 24 7.267 -5.225 -2.296 1.00 0.00 N ATOM 399 CA ASN A 24 6.982 -5.241 -3.726 1.00 0.00 C ATOM 400 C ASN A 24 5.522 -5.599 -3.986 1.00 0.00 C ATOM 401 O ASN A 24 4.823 -4.903 -4.722 1.00 0.00 O ATOM 402 CB ASN A 24 7.898 -6.238 -4.439 1.00 0.00 C ATOM 403 CG ASN A 24 7.739 -6.194 -5.946 1.00 0.00 C ATOM 404 OD1 ASN A 24 6.624 -6.721 -6.439 1.00 0.00 O flip ATOM 405 ND2 ASN A 24 8.608 -5.691 -6.659 1.00 0.00 N flip ATOM 0 H ASN A 24 8.004 -5.867 -2.006 1.00 0.00 H new ATOM 0 HA ASN A 24 7.168 -4.242 -4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.935 -6.024 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.681 -7.245 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.449 -5.298 -6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.487 -5.668 -7.671 1.00 0.00 H new ATOM 412 N ASP A 25 5.069 -6.689 -3.376 1.00 0.00 N ATOM 413 CA ASP A 25 3.691 -7.139 -3.540 1.00 0.00 C ATOM 414 C ASP A 25 2.712 -5.999 -3.278 1.00 0.00 C ATOM 415 O ASP A 25 1.904 -5.650 -4.140 1.00 0.00 O ATOM 416 CB ASP A 25 3.398 -8.306 -2.596 1.00 0.00 C ATOM 417 CG ASP A 25 4.001 -9.610 -3.082 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.137 -9.581 -3.601 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.338 -10.658 -2.943 1.00 0.00 O ATOM 0 H ASP A 25 5.635 -7.277 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 25 3.564 -7.473 -4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.789 -8.075 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.319 -8.424 -2.493 1.00 0.00 H new ATOM 424 N LEU A 26 2.788 -5.423 -2.083 1.00 0.00 N ATOM 425 CA LEU A 26 1.908 -4.322 -1.707 1.00 0.00 C ATOM 426 C LEU A 26 1.969 -3.200 -2.738 1.00 0.00 C ATOM 427 O LEU A 26 0.941 -2.765 -3.258 1.00 0.00 O ATOM 428 CB LEU A 26 2.292 -3.785 -0.327 1.00 0.00 C ATOM 429 CG LEU A 26 2.030 -4.719 0.854 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.561 -4.113 2.143 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.543 -5.019 0.977 1.00 0.00 C ATOM 0 H LEU A 26 3.450 -5.700 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 26 0.887 -4.701 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.353 -3.536 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.748 -2.856 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 26 2.556 -5.656 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.365 -4.793 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.635 -3.950 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.064 -3.161 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.375 -5.685 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.004 -4.089 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.192 -5.498 0.063 1.00 0.00 H new ATOM 443 N TYR A 27 3.179 -2.736 -3.029 1.00 0.00 N ATOM 444 CA TYR A 27 3.374 -1.664 -3.998 1.00 0.00 C ATOM 445 C TYR A 27 2.435 -1.829 -5.189 1.00 0.00 C ATOM 446 O TYR A 27 1.874 -0.854 -5.691 1.00 0.00 O ATOM 447 CB TYR A 27 4.826 -1.640 -4.478 1.00 0.00 C ATOM 448 CG TYR A 27 5.150 -0.460 -5.367 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.797 -0.460 -6.711 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.811 0.654 -4.863 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.092 0.615 -7.527 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.108 1.734 -5.671 1.00 0.00 C ATOM 453 CZ TYR A 27 5.747 1.710 -7.002 1.00 0.00 C ATOM 454 OH TYR A 27 6.043 2.783 -7.810 1.00 0.00 O ATOM 0 H TYR A 27 4.040 -3.085 -2.608 1.00 0.00 H new ATOM 0 HA TYR A 27 3.145 -0.718 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.486 -1.623 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.036 -2.562 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.283 -1.315 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.097 0.675 -3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.812 0.598 -8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.620 2.593 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 27 5.503 3.555 -7.540 1.00 0.00 H new ATOM 464 N ARG A 28 2.269 -3.069 -5.636 1.00 0.00 N ATOM 465 CA ARG A 28 1.399 -3.363 -6.769 1.00 0.00 C ATOM 466 C ARG A 28 -0.058 -3.454 -6.326 1.00 0.00 C ATOM 467 O ARG A 28 -0.948 -2.895 -6.968 1.00 0.00 O ATOM 468 CB ARG A 28 1.822 -4.672 -7.438 1.00 0.00 C ATOM 469 CG ARG A 28 3.010 -4.521 -8.375 1.00 0.00 C ATOM 470 CD ARG A 28 3.473 -5.868 -8.908 1.00 0.00 C ATOM 471 NE ARG A 28 2.620 -6.351 -9.990 1.00 0.00 N ATOM 472 CZ ARG A 28 2.850 -7.475 -10.661 1.00 0.00 C ATOM 473 NH1 ARG A 28 3.901 -8.226 -10.362 1.00 0.00 N ATOM 474 NH2 ARG A 28 2.028 -7.848 -11.633 1.00 0.00 N ATOM 0 H ARG A 28 2.725 -3.887 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 28 1.493 -2.549 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.069 -5.401 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.977 -5.074 -7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.738 -3.873 -9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.831 -4.035 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.499 -5.783 -9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.477 -6.597 -8.097 1.00 0.00 H new ATOM 0 HE ARG A 28 1.803 -5.796 -10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.535 -7.942 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.075 -9.088 -10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.219 -7.272 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.205 -8.711 -12.148 1.00 0.00 H new ATOM 488 N ILE A 29 -0.294 -4.160 -5.226 1.00 0.00 N ATOM 489 CA ILE A 29 -1.642 -4.323 -4.697 1.00 0.00 C ATOM 490 C ILE A 29 -2.303 -2.971 -4.450 1.00 0.00 C ATOM 491 O ILE A 29 -3.526 -2.845 -4.514 1.00 0.00 O ATOM 492 CB ILE A 29 -1.639 -5.128 -3.384 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.046 -6.519 -3.614 1.00 0.00 C ATOM 494 CG2 ILE A 29 -3.049 -5.233 -2.824 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.579 -7.195 -2.344 1.00 0.00 C ATOM 0 H ILE A 29 0.431 -4.629 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.211 -4.871 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.018 -4.605 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.794 -7.148 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.205 -6.437 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.030 -5.805 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.438 -4.234 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.691 -5.736 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.170 -8.177 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.192 -6.587 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.421 -7.309 -1.662 1.00 0.00 H new ATOM 507 N PHE A 30 -1.486 -1.962 -4.171 1.00 0.00 N ATOM 508 CA PHE A 30 -1.990 -0.618 -3.915 1.00 0.00 C ATOM 509 C PHE A 30 -1.866 0.256 -5.161 1.00 0.00 C ATOM 510 O PHE A 30 -2.371 1.378 -5.198 1.00 0.00 O ATOM 511 CB PHE A 30 -1.231 0.023 -2.752 1.00 0.00 C ATOM 512 CG PHE A 30 -1.502 -0.630 -1.427 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.723 -0.461 -0.793 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.537 -1.414 -0.815 1.00 0.00 C ATOM 515 CE1 PHE A 30 -2.975 -1.060 0.426 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.783 -2.016 0.405 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.004 -1.840 1.025 1.00 0.00 C ATOM 0 H PHE A 30 -0.471 -2.049 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.045 -0.698 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.162 -0.022 -2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.500 1.077 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.486 0.146 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.419 -1.556 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.930 -0.919 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.021 -2.623 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.200 -2.311 1.977 1.00 0.00 H new ATOM 527 N SER A 31 -1.191 -0.268 -6.179 1.00 0.00 N ATOM 528 CA SER A 31 -0.996 0.464 -7.424 1.00 0.00 C ATOM 529 C SER A 31 -2.269 0.453 -8.266 1.00 0.00 C ATOM 530 O SER A 31 -2.503 1.355 -9.070 1.00 0.00 O ATOM 531 CB SER A 31 0.161 -0.142 -8.221 1.00 0.00 C ATOM 532 OG SER A 31 0.319 0.513 -9.468 1.00 0.00 O ATOM 0 H SER A 31 -0.770 -1.197 -6.166 1.00 0.00 H new ATOM 0 HA SER A 31 -0.754 1.497 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.084 -0.063 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.023 -1.204 -8.385 1.00 0.00 H new ATOM 0 HG SER A 31 1.065 0.109 -9.958 1.00 0.00 H new ATOM 538 N LYS A 32 -3.088 -0.575 -8.073 1.00 0.00 N ATOM 539 CA LYS A 32 -4.339 -0.705 -8.812 1.00 0.00 C ATOM 540 C LYS A 32 -5.231 0.513 -8.592 1.00 0.00 C ATOM 541 O LYS A 32 -6.163 0.758 -9.358 1.00 0.00 O ATOM 542 CB LYS A 32 -5.078 -1.975 -8.384 1.00 0.00 C ATOM 543 CG LYS A 32 -5.778 -1.849 -7.043 1.00 0.00 C ATOM 544 CD LYS A 32 -6.634 -3.068 -6.743 1.00 0.00 C ATOM 545 CE LYS A 32 -5.891 -4.359 -7.051 1.00 0.00 C ATOM 546 NZ LYS A 32 -6.112 -4.806 -8.454 1.00 0.00 N ATOM 0 H LYS A 32 -2.908 -1.330 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.099 -0.771 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.814 -2.231 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.368 -2.800 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.036 -1.722 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.402 -0.955 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.929 -3.058 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.550 -3.025 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.824 -4.214 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.220 -5.140 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.458 -5.787 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.817 -4.190 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.216 -4.754 -8.980 1.00 0.00 H new ATOM 560 N TYR A 33 -4.938 1.272 -7.542 1.00 0.00 N ATOM 561 CA TYR A 33 -5.714 2.464 -7.221 1.00 0.00 C ATOM 562 C TYR A 33 -4.944 3.730 -7.586 1.00 0.00 C ATOM 563 O TYR A 33 -5.512 4.684 -8.116 1.00 0.00 O ATOM 564 CB TYR A 33 -6.070 2.481 -5.734 1.00 0.00 C ATOM 565 CG TYR A 33 -6.805 1.243 -5.273 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.138 1.037 -5.608 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.167 0.279 -4.502 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.813 -0.092 -5.188 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.834 -0.854 -4.079 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.157 -1.035 -4.424 1.00 0.00 C ATOM 571 OH TYR A 33 -8.827 -2.162 -4.006 1.00 0.00 O ATOM 0 H TYR A 33 -4.169 1.083 -6.899 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.633 2.437 -7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.155 2.588 -5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.685 3.357 -5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.655 1.772 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.131 0.418 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.849 -0.236 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.322 -1.594 -3.481 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.181 -2.829 -3.692 1.00 0.00 H new ATOM 581 N GLY A 34 -3.646 3.729 -7.299 1.00 0.00 N ATOM 582 CA GLY A 34 -2.818 4.882 -7.603 1.00 0.00 C ATOM 583 C GLY A 34 -1.338 4.576 -7.497 1.00 0.00 C ATOM 584 O GLY A 34 -0.924 3.746 -6.687 1.00 0.00 O ATOM 0 H GLY A 34 -3.153 2.951 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.042 5.231 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.068 5.695 -6.921 1.00 0.00 H new ATOM 588 N LYS A 35 -0.536 5.247 -8.318 1.00 0.00 N ATOM 589 CA LYS A 35 0.908 5.043 -8.314 1.00 0.00 C ATOM 590 C LYS A 35 1.473 5.181 -6.904 1.00 0.00 C ATOM 591 O LYS A 35 1.187 6.151 -6.201 1.00 0.00 O ATOM 592 CB LYS A 35 1.588 6.047 -9.247 1.00 0.00 C ATOM 593 CG LYS A 35 2.979 5.624 -9.686 1.00 0.00 C ATOM 594 CD LYS A 35 3.494 6.494 -10.821 1.00 0.00 C ATOM 595 CE LYS A 35 2.935 6.047 -12.163 1.00 0.00 C ATOM 596 NZ LYS A 35 3.601 6.741 -13.300 1.00 0.00 N ATOM 0 H LYS A 35 -0.862 5.937 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 35 1.108 4.032 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.965 6.189 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.653 7.012 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.663 5.686 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.960 4.582 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.219 7.533 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.583 6.453 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.064 4.970 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.864 6.245 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.192 6.409 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.457 7.767 -13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.620 6.532 -13.286 1.00 0.00 H new ATOM 610 N VAL A 36 2.277 4.205 -6.495 1.00 0.00 N ATOM 611 CA VAL A 36 2.885 4.219 -5.170 1.00 0.00 C ATOM 612 C VAL A 36 4.331 4.697 -5.233 1.00 0.00 C ATOM 613 O VAL A 36 5.053 4.402 -6.186 1.00 0.00 O ATOM 614 CB VAL A 36 2.846 2.823 -4.520 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.293 2.897 -3.068 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.451 2.225 -4.627 1.00 0.00 C ATOM 0 H VAL A 36 2.523 3.394 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 36 2.303 4.912 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 36 3.538 2.173 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.259 1.901 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.312 3.281 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.629 3.562 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.441 1.239 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.737 2.873 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.174 2.134 -5.677 1.00 0.00 H new ATOM 626 N VAL A 37 4.749 5.438 -4.211 1.00 0.00 N ATOM 627 CA VAL A 37 6.110 5.957 -4.149 1.00 0.00 C ATOM 628 C VAL A 37 6.947 5.184 -3.136 1.00 0.00 C ATOM 629 O VAL A 37 8.086 4.808 -3.413 1.00 0.00 O ATOM 630 CB VAL A 37 6.124 7.451 -3.777 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.551 7.935 -3.566 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.427 8.274 -4.850 1.00 0.00 C ATOM 0 H VAL A 37 4.164 5.692 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 37 6.542 5.834 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 37 5.579 7.580 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.541 8.993 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.013 7.365 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.123 7.794 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.446 9.327 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.942 8.142 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.393 7.943 -4.948 1.00 0.00 H new ATOM 642 N LYS A 38 6.375 4.949 -1.960 1.00 0.00 N ATOM 643 CA LYS A 38 7.066 4.219 -0.905 1.00 0.00 C ATOM 644 C LYS A 38 6.101 3.311 -0.149 1.00 0.00 C ATOM 645 O LYS A 38 4.918 3.623 -0.012 1.00 0.00 O ATOM 646 CB LYS A 38 7.731 5.195 0.068 1.00 0.00 C ATOM 647 CG LYS A 38 8.846 6.014 -0.560 1.00 0.00 C ATOM 648 CD LYS A 38 9.023 7.348 0.145 1.00 0.00 C ATOM 649 CE LYS A 38 10.401 7.938 -0.116 1.00 0.00 C ATOM 650 NZ LYS A 38 11.465 7.219 0.638 1.00 0.00 N ATOM 0 H LYS A 38 5.433 5.254 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 38 7.833 3.599 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.974 5.871 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.134 4.636 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.779 5.452 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.624 6.185 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.257 8.045 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.880 7.216 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.619 7.893 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.404 8.991 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.339 7.782 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.158 7.076 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.642 6.296 0.193 1.00 0.00 H new ATOM 664 N VAL A 39 6.614 2.187 0.341 1.00 0.00 N ATOM 665 CA VAL A 39 5.798 1.235 1.086 1.00 0.00 C ATOM 666 C VAL A 39 6.290 1.094 2.522 1.00 0.00 C ATOM 667 O VAL A 39 7.126 0.242 2.823 1.00 0.00 O ATOM 668 CB VAL A 39 5.801 -0.152 0.415 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.094 -1.172 1.295 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.153 -0.080 -0.959 1.00 0.00 C ATOM 0 H VAL A 39 7.591 1.913 0.236 1.00 0.00 H new ATOM 0 HA VAL A 39 4.781 1.626 1.091 1.00 0.00 H new ATOM 0 HB VAL A 39 6.835 -0.473 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.106 -2.146 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.607 -1.242 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.062 -0.860 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.164 -1.068 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.123 0.262 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.707 0.618 -1.587 1.00 0.00 H new ATOM 680 N THR A 40 5.765 1.937 3.407 1.00 0.00 N ATOM 681 CA THR A 40 6.151 1.907 4.812 1.00 0.00 C ATOM 682 C THR A 40 5.431 0.789 5.557 1.00 0.00 C ATOM 683 O THR A 40 4.253 0.526 5.311 1.00 0.00 O ATOM 684 CB THR A 40 5.849 3.249 5.506 1.00 0.00 C ATOM 685 OG1 THR A 40 6.565 4.307 4.859 1.00 0.00 O ATOM 686 CG2 THR A 40 6.232 3.196 6.977 1.00 0.00 C ATOM 0 H THR A 40 5.072 2.648 3.175 1.00 0.00 H new ATOM 0 HA THR A 40 7.225 1.725 4.841 1.00 0.00 H new ATOM 0 HB THR A 40 4.778 3.438 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.366 5.157 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.010 4.155 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.664 2.409 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.298 2.986 7.068 1.00 0.00 H new ATOM 694 N ILE A 41 6.144 0.136 6.467 1.00 0.00 N ATOM 695 CA ILE A 41 5.571 -0.953 7.249 1.00 0.00 C ATOM 696 C ILE A 41 5.977 -0.850 8.715 1.00 0.00 C ATOM 697 O ILE A 41 7.140 -0.605 9.032 1.00 0.00 O ATOM 698 CB ILE A 41 6.005 -2.327 6.703 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.458 -2.534 5.289 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.531 -3.437 7.629 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.020 -3.756 4.597 1.00 0.00 C ATOM 0 H ILE A 41 7.120 0.342 6.682 1.00 0.00 H new ATOM 0 HA ILE A 41 4.488 -0.864 7.167 1.00 0.00 H new ATOM 0 HB ILE A 41 7.094 -2.358 6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.373 -2.621 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.681 -1.652 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.845 -4.402 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.964 -3.295 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.444 -3.411 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.588 -3.840 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.103 -3.663 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.774 -4.647 5.175 1.00 0.00 H new ATOM 713 N MET A 42 5.009 -1.040 9.606 1.00 0.00 N ATOM 714 CA MET A 42 5.266 -0.971 11.040 1.00 0.00 C ATOM 715 C MET A 42 5.957 -2.240 11.530 1.00 0.00 C ATOM 716 O MET A 42 5.827 -3.304 10.923 1.00 0.00 O ATOM 717 CB MET A 42 3.958 -0.761 11.805 1.00 0.00 C ATOM 718 CG MET A 42 3.327 0.601 11.564 1.00 0.00 C ATOM 719 SD MET A 42 4.282 1.948 12.288 1.00 0.00 S ATOM 720 CE MET A 42 4.159 3.183 10.997 1.00 0.00 C ATOM 0 H MET A 42 4.040 -1.243 9.360 1.00 0.00 H new ATOM 0 HA MET A 42 5.927 -0.124 11.225 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.249 -1.537 11.517 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.147 -0.882 12.872 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.229 0.767 10.491 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.320 0.609 11.982 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.060 3.796 10.993 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.051 2.690 10.031 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.291 3.816 11.180 1.00 0.00 H new ATOM 730 N LYS A 43 6.691 -2.122 12.630 1.00 0.00 N ATOM 731 CA LYS A 43 7.402 -3.259 13.203 1.00 0.00 C ATOM 732 C LYS A 43 7.406 -3.187 14.727 1.00 0.00 C ATOM 733 O LYS A 43 7.752 -2.158 15.308 1.00 0.00 O ATOM 734 CB LYS A 43 8.839 -3.304 12.680 1.00 0.00 C ATOM 735 CG LYS A 43 8.999 -4.119 11.408 1.00 0.00 C ATOM 736 CD LYS A 43 8.823 -3.257 10.169 1.00 0.00 C ATOM 737 CE LYS A 43 9.618 -3.804 8.993 1.00 0.00 C ATOM 738 NZ LYS A 43 10.040 -2.724 8.059 1.00 0.00 N ATOM 0 H LYS A 43 6.810 -1.249 13.144 1.00 0.00 H new ATOM 0 HA LYS A 43 6.883 -4.169 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.181 -2.286 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.485 -3.721 13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.985 -4.582 11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.267 -4.927 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.767 -3.209 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.144 -2.238 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.499 -4.329 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.014 -4.534 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.579 -3.137 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.199 -2.239 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.637 -2.040 8.566 1.00 0.00 H new ATOM 752 N ASP A 44 7.019 -4.285 15.367 1.00 0.00 N ATOM 753 CA ASP A 44 6.981 -4.347 16.824 1.00 0.00 C ATOM 754 C ASP A 44 8.391 -4.352 17.405 1.00 0.00 C ATOM 755 O ASP A 44 9.378 -4.289 16.670 1.00 0.00 O ATOM 756 CB ASP A 44 6.222 -5.592 17.283 1.00 0.00 C ATOM 757 CG ASP A 44 5.570 -5.406 18.639 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.935 -4.352 18.852 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.694 -6.314 19.487 1.00 0.00 O ATOM 0 H ASP A 44 6.727 -5.144 14.900 1.00 0.00 H new ATOM 0 HA ASP A 44 6.462 -3.460 17.187 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.458 -5.840 16.547 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.909 -6.437 17.326 1.00 0.00 H new ATOM 764 N LYS A 45 8.480 -4.428 18.728 1.00 0.00 N ATOM 765 CA LYS A 45 9.769 -4.442 19.410 1.00 0.00 C ATOM 766 C LYS A 45 10.147 -5.859 19.830 1.00 0.00 C ATOM 767 O LYS A 45 11.266 -6.311 19.589 1.00 0.00 O ATOM 768 CB LYS A 45 9.731 -3.528 20.636 1.00 0.00 C ATOM 769 CG LYS A 45 9.868 -2.053 20.300 1.00 0.00 C ATOM 770 CD LYS A 45 10.459 -1.269 21.459 1.00 0.00 C ATOM 771 CE LYS A 45 10.861 0.135 21.036 1.00 0.00 C ATOM 772 NZ LYS A 45 11.898 0.711 21.936 1.00 0.00 N ATOM 0 H LYS A 45 7.674 -4.481 19.351 1.00 0.00 H new ATOM 0 HA LYS A 45 10.524 -4.075 18.715 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.792 -3.685 21.167 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.534 -3.813 21.316 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.501 -1.937 19.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.890 -1.645 20.045 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.732 -1.212 22.269 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.330 -1.796 21.849 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.240 0.112 20.014 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.982 0.780 21.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.145 1.669 21.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.528 0.757 22.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.747 0.110 21.917 1.00 0.00 H new ATOM 786 N ASP A 46 9.205 -6.556 20.458 1.00 0.00 N ATOM 787 CA ASP A 46 9.439 -7.922 20.909 1.00 0.00 C ATOM 788 C ASP A 46 9.323 -8.905 19.749 1.00 0.00 C ATOM 789 O ASP A 46 10.298 -9.555 19.370 1.00 0.00 O ATOM 790 CB ASP A 46 8.445 -8.295 22.011 1.00 0.00 C ATOM 791 CG ASP A 46 9.016 -9.303 22.989 1.00 0.00 C ATOM 792 OD1 ASP A 46 10.182 -9.133 23.403 1.00 0.00 O ATOM 793 OD2 ASP A 46 8.296 -10.261 23.340 1.00 0.00 O ATOM 0 H ASP A 46 8.273 -6.197 20.666 1.00 0.00 H new ATOM 0 HA ASP A 46 10.451 -7.978 21.309 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.151 -7.395 22.551 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.542 -8.704 21.558 1.00 0.00 H new ATOM 798 N THR A 47 8.122 -9.012 19.187 1.00 0.00 N ATOM 799 CA THR A 47 7.877 -9.917 18.072 1.00 0.00 C ATOM 800 C THR A 47 8.697 -9.517 16.850 1.00 0.00 C ATOM 801 O THR A 47 9.149 -10.372 16.088 1.00 0.00 O ATOM 802 CB THR A 47 6.386 -9.945 17.688 1.00 0.00 C ATOM 803 OG1 THR A 47 5.991 -8.674 17.160 1.00 0.00 O ATOM 804 CG2 THR A 47 5.524 -10.289 18.894 1.00 0.00 C ATOM 0 H THR A 47 7.304 -8.482 19.487 1.00 0.00 H new ATOM 0 HA THR A 47 8.179 -10.912 18.400 1.00 0.00 H new ATOM 0 HB THR A 47 6.244 -10.713 16.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.042 -8.701 16.917 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.475 -10.303 18.599 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.807 -11.270 19.275 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.672 -9.541 19.672 1.00 0.00 H new ATOM 812 N ARG A 48 8.885 -8.214 16.669 1.00 0.00 N ATOM 813 CA ARG A 48 9.650 -7.702 15.539 1.00 0.00 C ATOM 814 C ARG A 48 9.036 -8.154 14.217 1.00 0.00 C ATOM 815 O ARG A 48 9.738 -8.624 13.322 1.00 0.00 O ATOM 816 CB ARG A 48 11.103 -8.172 15.625 1.00 0.00 C ATOM 817 CG ARG A 48 12.074 -7.291 14.855 1.00 0.00 C ATOM 818 CD ARG A 48 12.550 -6.118 15.697 1.00 0.00 C ATOM 819 NE ARG A 48 13.521 -6.528 16.708 1.00 0.00 N ATOM 820 CZ ARG A 48 14.806 -6.746 16.447 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.271 -6.593 15.215 1.00 0.00 N ATOM 822 NH2 ARG A 48 15.628 -7.116 17.421 1.00 0.00 N ATOM 0 H ARG A 48 8.518 -7.494 17.291 1.00 0.00 H new ATOM 0 HA ARG A 48 9.624 -6.613 15.579 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.405 -8.203 16.672 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.170 -9.191 15.244 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.932 -7.884 14.538 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.591 -6.919 13.951 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.998 -5.365 15.049 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.694 -5.651 16.185 1.00 0.00 H new ATOM 0 HE ARG A 48 13.195 -6.654 17.666 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.642 -6.307 14.464 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.258 -6.761 15.018 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.274 -7.233 18.370 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.614 -7.283 17.220 1.00 0.00 H new ATOM 836 N LYS A 49 7.720 -8.010 14.102 1.00 0.00 N ATOM 837 CA LYS A 49 7.009 -8.401 12.891 1.00 0.00 C ATOM 838 C LYS A 49 6.161 -7.250 12.361 1.00 0.00 C ATOM 839 O LYS A 49 5.942 -6.257 13.055 1.00 0.00 O ATOM 840 CB LYS A 49 6.123 -9.618 13.166 1.00 0.00 C ATOM 841 CG LYS A 49 6.872 -10.791 13.774 1.00 0.00 C ATOM 842 CD LYS A 49 7.840 -11.411 12.780 1.00 0.00 C ATOM 843 CE LYS A 49 8.184 -12.844 13.156 1.00 0.00 C ATOM 844 NZ LYS A 49 9.105 -13.471 12.168 1.00 0.00 N ATOM 0 H LYS A 49 7.124 -7.625 14.834 1.00 0.00 H new ATOM 0 HA LYS A 49 7.749 -8.661 12.134 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.316 -9.325 13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.660 -9.938 12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.419 -10.457 14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.159 -11.545 14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.401 -11.391 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.752 -10.816 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.646 -12.860 14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.268 -13.432 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.315 -14.447 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.655 -13.479 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.989 -12.925 12.123 1.00 0.00 H new ATOM 858 N SER A 50 5.683 -7.391 11.129 1.00 0.00 N ATOM 859 CA SER A 50 4.860 -6.361 10.506 1.00 0.00 C ATOM 860 C SER A 50 3.513 -6.242 11.212 1.00 0.00 C ATOM 861 O SER A 50 3.042 -5.140 11.495 1.00 0.00 O ATOM 862 CB SER A 50 4.646 -6.677 9.024 1.00 0.00 C ATOM 863 OG SER A 50 3.715 -5.782 8.441 1.00 0.00 O ATOM 0 H SER A 50 5.851 -8.208 10.542 1.00 0.00 H new ATOM 0 HA SER A 50 5.383 -5.409 10.595 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.597 -6.614 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.288 -7.701 8.915 1.00 0.00 H new ATOM 0 HG SER A 50 3.597 -6.004 7.494 1.00 0.00 H new ATOM 869 N LYS A 51 2.896 -7.385 11.493 1.00 0.00 N ATOM 870 CA LYS A 51 1.604 -7.411 12.167 1.00 0.00 C ATOM 871 C LYS A 51 0.512 -6.831 11.273 1.00 0.00 C ATOM 872 O LYS A 51 -0.508 -6.344 11.759 1.00 0.00 O ATOM 873 CB LYS A 51 1.673 -6.628 13.479 1.00 0.00 C ATOM 874 CG LYS A 51 2.962 -6.850 14.253 1.00 0.00 C ATOM 875 CD LYS A 51 2.876 -6.274 15.656 1.00 0.00 C ATOM 876 CE LYS A 51 3.049 -4.762 15.650 1.00 0.00 C ATOM 877 NZ LYS A 51 4.277 -4.348 14.917 1.00 0.00 N ATOM 0 H LYS A 51 3.271 -8.306 11.264 1.00 0.00 H new ATOM 0 HA LYS A 51 1.357 -8.450 12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.567 -5.565 13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.828 -6.912 14.107 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.174 -7.918 14.309 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.792 -6.388 13.719 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.912 -6.529 16.097 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.643 -6.727 16.284 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.177 -4.298 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.098 -4.398 16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.784 -3.626 15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.894 -5.174 14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.013 -3.954 13.991 1.00 0.00 H new ATOM 891 N GLY A 52 0.733 -6.888 9.963 1.00 0.00 N ATOM 892 CA GLY A 52 -0.241 -6.366 9.023 1.00 0.00 C ATOM 893 C GLY A 52 -0.193 -4.854 8.918 1.00 0.00 C ATOM 894 O GLY A 52 -0.320 -4.296 7.828 1.00 0.00 O ATOM 0 H GLY A 52 1.569 -7.286 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.062 -6.801 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.240 -6.674 9.331 1.00 0.00 H new ATOM 898 N VAL A 53 -0.011 -4.189 10.054 1.00 0.00 N ATOM 899 CA VAL A 53 0.053 -2.733 10.086 1.00 0.00 C ATOM 900 C VAL A 53 1.099 -2.207 9.109 1.00 0.00 C ATOM 901 O VAL A 53 2.299 -2.269 9.376 1.00 0.00 O ATOM 902 CB VAL A 53 0.381 -2.216 11.499 1.00 0.00 C ATOM 903 CG1 VAL A 53 0.042 -0.738 11.619 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.363 -3.028 12.549 1.00 0.00 C ATOM 0 H VAL A 53 0.095 -4.636 10.965 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.931 -2.367 9.793 1.00 0.00 H new ATOM 0 HB VAL A 53 1.451 -2.334 11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.280 -0.390 12.624 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.623 -0.171 10.892 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.021 -0.592 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.120 -2.649 13.542 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.437 -2.943 12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.066 -4.074 12.477 1.00 0.00 H new ATOM 914 N ALA A 54 0.635 -1.690 7.976 1.00 0.00 N ATOM 915 CA ALA A 54 1.531 -1.151 6.960 1.00 0.00 C ATOM 916 C ALA A 54 1.019 0.184 6.430 1.00 0.00 C ATOM 917 O ALA A 54 -0.173 0.344 6.167 1.00 0.00 O ATOM 918 CB ALA A 54 1.695 -2.145 5.820 1.00 0.00 C ATOM 0 H ALA A 54 -0.355 -1.633 7.739 1.00 0.00 H new ATOM 0 HA ALA A 54 2.504 -0.981 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.366 -1.729 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.113 -3.075 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.723 -2.344 5.368 1.00 0.00 H new ATOM 924 N PHE A 55 1.928 1.142 6.276 1.00 0.00 N ATOM 925 CA PHE A 55 1.568 2.465 5.779 1.00 0.00 C ATOM 926 C PHE A 55 1.982 2.629 4.320 1.00 0.00 C ATOM 927 O PHE A 55 3.171 2.625 3.997 1.00 0.00 O ATOM 928 CB PHE A 55 2.226 3.550 6.633 1.00 0.00 C ATOM 929 CG PHE A 55 1.636 3.671 8.009 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.650 2.594 8.880 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.065 4.861 8.430 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.108 2.701 10.147 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.522 4.975 9.696 1.00 0.00 C ATOM 934 CZ PHE A 55 0.542 3.893 10.555 1.00 0.00 C ATOM 0 H PHE A 55 2.919 1.027 6.488 1.00 0.00 H new ATOM 0 HA PHE A 55 0.485 2.568 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.291 3.336 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.135 4.508 6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.090 1.659 8.565 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.044 5.709 7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.127 1.854 10.817 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.082 5.909 10.013 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.116 3.979 11.544 1.00 0.00 H new ATOM 944 N ILE A 56 0.994 2.772 3.443 1.00 0.00 N ATOM 945 CA ILE A 56 1.256 2.938 2.019 1.00 0.00 C ATOM 946 C ILE A 56 1.272 4.412 1.631 1.00 0.00 C ATOM 947 O ILE A 56 0.310 5.141 1.877 1.00 0.00 O ATOM 948 CB ILE A 56 0.204 2.205 1.164 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.088 0.744 1.601 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.564 2.296 -0.311 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.367 -0.045 1.419 1.00 0.00 C ATOM 0 H ILE A 56 0.005 2.776 3.694 1.00 0.00 H new ATOM 0 HA ILE A 56 2.237 2.503 1.826 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.763 2.686 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.205 0.709 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.709 0.265 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.188 1.774 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.600 3.343 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.539 1.837 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.211 -1.072 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.650 -0.041 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.162 0.410 2.010 1.00 0.00 H new ATOM 963 N LEU A 57 2.370 4.846 1.021 1.00 0.00 N ATOM 964 CA LEU A 57 2.512 6.234 0.597 1.00 0.00 C ATOM 965 C LEU A 57 2.164 6.390 -0.880 1.00 0.00 C ATOM 966 O LEU A 57 2.781 5.766 -1.744 1.00 0.00 O ATOM 967 CB LEU A 57 3.940 6.722 0.850 1.00 0.00 C ATOM 968 CG LEU A 57 4.135 8.238 0.882 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.451 8.593 1.557 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.083 8.813 -0.526 1.00 0.00 C ATOM 0 H LEU A 57 3.175 4.256 0.809 1.00 0.00 H new ATOM 0 HA LEU A 57 1.819 6.839 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.280 6.312 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.586 6.309 0.076 1.00 0.00 H new ATOM 0 HG LEU A 57 3.323 8.677 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.572 9.676 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.449 8.215 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.276 8.142 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.224 9.893 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.873 8.368 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.115 8.591 -0.974 1.00 0.00 H new ATOM 982 N PHE A 58 1.173 7.229 -1.164 1.00 0.00 N ATOM 983 CA PHE A 58 0.743 7.468 -2.536 1.00 0.00 C ATOM 984 C PHE A 58 1.306 8.786 -3.061 1.00 0.00 C ATOM 985 O PHE A 58 1.613 9.695 -2.288 1.00 0.00 O ATOM 986 CB PHE A 58 -0.784 7.485 -2.619 1.00 0.00 C ATOM 987 CG PHE A 58 -1.402 6.117 -2.565 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.538 5.451 -1.357 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.849 5.497 -3.721 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.105 4.192 -1.304 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.417 4.238 -3.674 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.547 3.585 -2.463 1.00 0.00 C ATOM 0 H PHE A 58 0.653 7.755 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 58 1.125 6.657 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.178 8.086 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.084 7.974 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.197 5.922 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.752 6.004 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.202 3.683 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.759 3.765 -4.583 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.993 2.602 -2.423 1.00 0.00 H new ATOM 1002 N LEU A 59 1.441 8.882 -4.379 1.00 0.00 N ATOM 1003 CA LEU A 59 1.968 10.088 -5.008 1.00 0.00 C ATOM 1004 C LEU A 59 1.048 11.279 -4.757 1.00 0.00 C ATOM 1005 O LEU A 59 1.486 12.322 -4.271 1.00 0.00 O ATOM 1006 CB LEU A 59 2.138 9.869 -6.512 1.00 0.00 C ATOM 1007 CG LEU A 59 3.049 10.862 -7.236 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.456 10.813 -6.660 1.00 0.00 C ATOM 1009 CD2 LEU A 59 3.072 10.573 -8.730 1.00 0.00 C ATOM 0 H LEU A 59 1.193 8.139 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 59 2.941 10.304 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.530 8.864 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.153 9.904 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 59 2.652 11.866 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.090 11.526 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.425 11.069 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.863 9.809 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.725 11.289 -9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.444 9.563 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.063 10.660 -9.133 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.227 11.116 -5.090 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.209 12.177 -4.898 1.00 0.00 C ATOM 1023 C ASP A 60 -2.251 11.771 -3.859 1.00 0.00 C ATOM 1024 O ASP A 60 -2.549 10.589 -3.691 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.896 12.511 -6.223 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.120 13.386 -6.036 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.055 14.331 -5.221 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.143 13.126 -6.703 1.00 0.00 O ATOM 0 H ASP A 60 -0.605 10.259 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.686 13.062 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.188 13.017 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.187 11.586 -6.721 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.801 12.761 -3.163 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.809 12.509 -2.140 1.00 0.00 C ATOM 1035 C LYS A 61 -5.077 11.929 -2.758 1.00 0.00 C ATOM 1036 O LYS A 61 -5.623 10.942 -2.265 1.00 0.00 O ATOM 1037 CB LYS A 61 -4.138 13.801 -1.390 1.00 0.00 C ATOM 1038 CG LYS A 61 -5.325 13.674 -0.451 1.00 0.00 C ATOM 1039 CD LYS A 61 -6.058 14.996 -0.296 1.00 0.00 C ATOM 1040 CE LYS A 61 -5.334 15.926 0.664 1.00 0.00 C ATOM 1041 NZ LYS A 61 -5.631 17.357 0.380 1.00 0.00 N ATOM 0 H LYS A 61 -2.565 13.745 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.404 11.782 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.264 14.111 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.341 14.590 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.012 12.919 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.983 13.330 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.152 15.477 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.069 14.812 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.626 15.691 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.260 15.757 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.119 17.959 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.329 17.589 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.653 17.525 0.473 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.540 12.548 -3.838 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.743 12.092 -4.525 1.00 0.00 C ATOM 1057 C ASP A 62 -6.653 10.604 -4.848 1.00 0.00 C ATOM 1058 O ASP A 62 -7.642 9.877 -4.752 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.958 12.893 -5.809 1.00 0.00 C ATOM 1060 CG ASP A 62 -8.371 12.766 -6.342 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -9.316 13.139 -5.614 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.534 12.295 -7.486 1.00 0.00 O ATOM 0 H ASP A 62 -5.100 13.367 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.593 12.251 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.738 13.944 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.255 12.552 -6.568 1.00 0.00 H new ATOM 1067 N SER A 63 -5.461 10.158 -5.231 1.00 0.00 N ATOM 1068 CA SER A 63 -5.243 8.757 -5.574 1.00 0.00 C ATOM 1069 C SER A 63 -5.375 7.870 -4.340 1.00 0.00 C ATOM 1070 O SER A 63 -5.935 6.776 -4.405 1.00 0.00 O ATOM 1071 CB SER A 63 -3.861 8.573 -6.203 1.00 0.00 C ATOM 1072 OG SER A 63 -3.748 9.307 -7.410 1.00 0.00 O ATOM 0 H SER A 63 -4.631 10.746 -5.312 1.00 0.00 H new ATOM 0 HA SER A 63 -6.005 8.462 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.093 8.899 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.685 7.515 -6.399 1.00 0.00 H new ATOM 0 HG SER A 63 -2.855 9.174 -7.791 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.854 8.349 -3.215 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.914 7.602 -1.965 1.00 0.00 C ATOM 1080 C ALA A 64 -6.356 7.413 -1.507 1.00 0.00 C ATOM 1081 O ALA A 64 -6.849 6.288 -1.428 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.104 8.308 -0.888 1.00 0.00 C ATOM 0 H ALA A 64 -4.385 9.252 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.484 6.616 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.158 7.739 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.064 8.385 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.508 9.307 -0.725 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.026 8.521 -1.207 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.412 8.476 -0.755 1.00 0.00 C ATOM 1090 C GLN A 65 -9.177 7.357 -1.455 1.00 0.00 C ATOM 1091 O GLN A 65 -9.938 6.624 -0.826 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.099 9.818 -1.014 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.837 10.854 0.068 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.716 10.659 1.287 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -10.801 10.082 1.199 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.252 11.140 2.435 1.00 0.00 N ATOM 0 H GLN A 65 -6.632 9.460 -1.269 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.412 8.276 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.760 10.212 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.174 9.656 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.790 10.804 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.004 11.851 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.348 11.611 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.800 11.038 3.289 1.00 0.00 H new ATOM 1105 N ASN A 66 -8.968 7.232 -2.762 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.639 6.203 -3.548 1.00 0.00 C ATOM 1107 C ASN A 66 -9.439 4.825 -2.924 1.00 0.00 C ATOM 1108 O ASN A 66 -10.402 4.164 -2.534 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.113 6.206 -4.985 1.00 0.00 C ATOM 1110 CG ASN A 66 -9.990 5.400 -5.923 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.109 5.023 -5.574 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.484 5.131 -7.121 1.00 0.00 N ATOM 0 H ASN A 66 -8.340 7.830 -3.299 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.706 6.426 -3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.050 7.233 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.101 5.801 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.028 4.592 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.552 5.464 -7.367 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.184 4.400 -2.833 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.857 3.100 -2.257 1.00 0.00 C ATOM 1121 C CYS A 67 -8.356 3.003 -0.819 1.00 0.00 C ATOM 1122 O CYS A 67 -8.907 1.980 -0.409 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.346 2.865 -2.302 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.836 1.234 -1.712 1.00 0.00 S ATOM 0 H CYS A 67 -7.376 4.936 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.355 2.332 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.999 2.994 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.852 3.628 -1.700 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.876 0.385 -2.695 1.00 0.00 H new ATOM 1130 N THR A 68 -8.159 4.073 -0.055 1.00 0.00 N ATOM 1131 CA THR A 68 -8.586 4.107 1.338 1.00 0.00 C ATOM 1132 C THR A 68 -10.094 3.920 1.455 1.00 0.00 C ATOM 1133 O THR A 68 -10.624 3.746 2.553 1.00 0.00 O ATOM 1134 CB THR A 68 -8.190 5.433 2.015 1.00 0.00 C ATOM 1135 OG1 THR A 68 -6.929 5.884 1.508 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.106 5.266 3.524 1.00 0.00 C ATOM 0 H THR A 68 -7.706 4.928 -0.378 1.00 0.00 H new ATOM 0 HA THR A 68 -8.080 3.285 1.844 1.00 0.00 H new ATOM 0 HB THR A 68 -8.957 6.174 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.897 6.863 1.535 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.825 6.215 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.076 4.951 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.357 4.512 3.765 1.00 0.00 H new ATOM 1144 N ARG A 69 -10.781 3.956 0.318 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.229 3.791 0.294 1.00 0.00 C ATOM 1146 C ARG A 69 -12.617 2.496 -0.414 1.00 0.00 C ATOM 1147 O ARG A 69 -13.679 1.931 -0.156 1.00 0.00 O ATOM 1148 CB ARG A 69 -12.888 4.983 -0.404 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.383 4.813 -0.618 1.00 0.00 C ATOM 1150 CD ARG A 69 -14.683 4.165 -1.961 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.115 3.962 -2.163 1.00 0.00 N ATOM 1152 CZ ARG A 69 -16.652 3.624 -3.330 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -15.880 3.452 -4.394 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -17.964 3.457 -3.434 1.00 0.00 N ATOM 0 H ARG A 69 -10.358 4.098 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.581 3.741 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.714 5.881 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.407 5.139 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.799 4.202 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.872 5.786 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.289 4.791 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.169 3.206 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.737 4.087 -1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.871 3.579 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.295 3.192 -5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.561 3.588 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.376 3.197 -4.330 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.749 2.033 -1.307 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.999 0.804 -2.050 1.00 0.00 C ATOM 1170 C ALA A 70 -11.835 -0.421 -1.156 1.00 0.00 C ATOM 1171 O ALA A 70 -12.768 -1.206 -0.987 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.068 0.713 -3.249 1.00 0.00 C ATOM 0 H ALA A 70 -10.866 2.491 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.029 0.827 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.266 -0.210 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.237 1.566 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.033 0.717 -2.907 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.644 -0.578 -0.589 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.359 -1.708 0.287 1.00 0.00 C ATOM 1180 C ILE A 71 -11.028 -1.532 1.647 1.00 0.00 C ATOM 1181 O ILE A 71 -11.440 -2.504 2.278 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.844 -1.893 0.493 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.277 -0.742 1.327 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.134 -1.981 -0.850 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.796 -0.872 1.607 1.00 0.00 C ATOM 0 H ILE A 71 -9.861 0.062 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.762 -2.595 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.676 -2.825 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.459 0.198 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.815 -0.691 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.064 -2.112 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.522 -2.830 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.306 -1.064 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.462 -0.022 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.609 -1.795 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.248 -0.893 0.665 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.133 -0.283 2.091 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.754 0.021 3.375 1.00 0.00 C ATOM 1199 C ASN A 72 -13.023 -0.801 3.574 1.00 0.00 C ATOM 1200 O ASN A 72 -13.912 -0.805 2.723 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.078 1.513 3.467 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.287 1.789 4.341 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.415 1.863 3.854 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.055 1.943 5.639 1.00 0.00 N ATOM 0 H ASN A 72 -10.796 0.534 1.581 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.048 -0.240 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.215 2.046 3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.259 1.905 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.829 2.131 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.103 1.873 5.999 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.102 -1.494 4.706 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.263 -2.320 5.017 1.00 0.00 C ATOM 1213 C ASN A 73 -14.446 -3.417 3.973 1.00 0.00 C ATOM 1214 O ASN A 73 -15.551 -3.639 3.477 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.524 -1.456 5.092 1.00 0.00 C ATOM 1216 CG ASN A 73 -15.623 -0.690 6.398 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.197 -1.172 7.447 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.189 0.510 6.338 1.00 0.00 N ATOM 0 H ASN A 73 -12.376 -1.500 5.423 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.094 -2.790 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.529 -0.752 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.403 -2.090 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.284 1.072 7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.528 0.870 5.446 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.356 -4.101 3.644 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.395 -5.177 2.661 1.00 0.00 C ATOM 1227 C LYS A 74 -12.534 -6.354 3.109 1.00 0.00 C ATOM 1228 O LYS A 74 -11.577 -6.183 3.862 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.914 -4.669 1.300 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.278 -5.587 0.145 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.761 -5.517 -0.177 1.00 0.00 C ATOM 1232 CE LYS A 74 -15.066 -4.398 -1.161 1.00 0.00 C ATOM 1233 NZ LYS A 74 -16.522 -4.092 -1.220 1.00 0.00 N ATOM 0 H LYS A 74 -12.434 -3.929 4.044 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.427 -5.517 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.341 -3.683 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.831 -4.547 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.700 -5.311 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.007 -6.613 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.089 -6.469 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.327 -5.360 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.518 -3.501 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.714 -4.681 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.688 -3.324 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.043 -4.940 -1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.853 -3.797 -0.279 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.882 -7.548 2.638 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.140 -8.753 2.991 1.00 0.00 C ATOM 1249 C GLN A 75 -11.120 -9.099 1.911 1.00 0.00 C ATOM 1250 O GLN A 75 -11.470 -9.271 0.743 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.100 -9.926 3.197 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.175 -9.657 4.238 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.184 -10.783 4.339 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -16.203 -10.783 3.648 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -14.906 -11.752 5.203 1.00 0.00 N ATOM 0 H GLN A 75 -13.672 -7.706 2.012 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.606 -8.562 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.578 -10.165 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.528 -10.804 3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.705 -9.507 5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.693 -8.731 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.050 -11.712 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.549 -12.536 5.314 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.856 -9.199 2.309 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.784 -9.525 1.375 1.00 0.00 C ATOM 1266 C LEU A 76 -7.898 -10.636 1.929 1.00 0.00 C ATOM 1267 O LEU A 76 -7.630 -10.690 3.130 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.941 -8.282 1.083 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.577 -7.240 0.164 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.668 -6.476 0.898 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.520 -6.284 -0.370 1.00 0.00 C ATOM 0 H LEU A 76 -9.549 -9.059 3.272 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.237 -9.876 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.698 -7.801 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.999 -8.603 0.638 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.031 -7.757 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.109 -5.738 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.439 -7.172 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.239 -5.970 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.991 -5.549 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.037 -5.773 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.774 -6.844 -0.934 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.445 -11.520 1.046 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.588 -12.630 1.447 1.00 0.00 C ATOM 1285 C PHE A 77 -7.152 -13.337 2.676 1.00 0.00 C ATOM 1286 O PHE A 77 -6.416 -13.962 3.438 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.172 -12.129 1.737 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.415 -11.724 0.505 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.719 -10.544 -0.154 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.399 -12.523 0.006 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.024 -10.169 -1.288 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.700 -12.153 -1.128 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.013 -10.974 -1.775 1.00 0.00 C ATOM 0 H PHE A 77 -7.657 -11.489 0.049 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.552 -13.344 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.228 -11.278 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.617 -12.912 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.508 -9.910 0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.150 -13.446 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.271 -9.247 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.911 -12.785 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.468 -10.682 -2.660 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.464 -13.230 2.862 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.105 -13.863 4.000 1.00 0.00 C ATOM 1305 C GLY A 78 -8.798 -13.156 5.306 1.00 0.00 C ATOM 1306 O GLY A 78 -8.491 -13.799 6.310 1.00 0.00 O ATOM 0 H GLY A 78 -9.094 -12.717 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.184 -13.878 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.778 -14.901 4.067 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.878 -11.830 5.292 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.603 -11.035 6.483 1.00 0.00 C ATOM 1312 C ARG A 79 -9.112 -9.607 6.313 1.00 0.00 C ATOM 1313 O ARG A 79 -8.563 -8.830 5.533 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.102 -11.022 6.778 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.237 -10.995 5.529 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.794 -11.360 5.843 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.626 -12.795 6.057 1.00 0.00 N ATOM 1318 CZ ARG A 79 -4.703 -13.374 7.249 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -4.943 -12.645 8.330 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -4.539 -14.686 7.363 1.00 0.00 N ATOM 0 H ARG A 79 -9.131 -11.283 4.469 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.127 -11.491 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.868 -10.151 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.848 -11.904 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.638 -11.691 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.273 -10.002 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.152 -11.038 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.469 -10.820 6.733 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.439 -13.385 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.069 -11.636 8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.002 -13.093 9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.354 -15.251 6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.598 -15.130 8.280 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.166 -9.268 7.049 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.749 -7.934 6.981 1.00 0.00 C ATOM 1336 C VAL A 80 -9.676 -6.858 7.102 1.00 0.00 C ATOM 1337 O VAL A 80 -9.040 -6.717 8.147 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.800 -7.722 8.087 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.390 -6.323 8.004 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.892 -8.777 7.993 1.00 0.00 C ATOM 0 H VAL A 80 -10.633 -9.900 7.699 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.235 -7.851 6.009 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.309 -7.825 9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.130 -6.193 8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.596 -5.586 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.867 -6.186 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.626 -8.612 8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.382 -8.708 7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.452 -9.768 8.108 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.479 -6.102 6.028 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.484 -5.037 6.015 1.00 0.00 C ATOM 1352 C ILE A 81 -9.123 -3.682 6.297 1.00 0.00 C ATOM 1353 O ILE A 81 -10.153 -3.336 5.717 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.746 -4.973 4.664 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.095 -6.321 4.349 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.703 -3.866 4.683 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -6.004 -6.235 3.305 1.00 0.00 C ATOM 0 H ILE A 81 -9.996 -6.207 5.155 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.766 -5.267 6.802 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.471 -4.750 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.677 -6.737 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.862 -7.014 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.190 -3.833 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.191 -2.909 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.979 -4.062 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.587 -7.227 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.420 -5.849 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.217 -5.567 3.655 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.506 -2.917 7.191 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.012 -1.598 7.549 1.00 0.00 C ATOM 1371 C LYS A 82 -8.158 -0.499 6.925 1.00 0.00 C ATOM 1372 O LYS A 82 -6.932 -0.519 7.028 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.038 -1.435 9.071 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.174 -2.186 9.744 1.00 0.00 C ATOM 1375 CD LYS A 82 -9.850 -3.662 9.901 1.00 0.00 C ATOM 1376 CE LYS A 82 -10.529 -4.254 11.127 1.00 0.00 C ATOM 1377 NZ LYS A 82 -9.997 -3.671 12.390 1.00 0.00 N ATOM 0 H LYS A 82 -7.654 -3.189 7.681 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.027 -1.509 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.090 -1.783 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.120 -0.375 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.370 -1.749 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.085 -2.073 9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.170 -4.203 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.771 -3.792 9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.603 -4.076 11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.385 -5.334 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.124 -4.351 13.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.985 -3.460 12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.510 -2.794 12.611 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.814 0.458 6.278 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.115 1.567 5.640 1.00 0.00 C ATOM 1393 C ALA A 83 -8.505 2.899 6.272 1.00 0.00 C ATOM 1394 O ALA A 83 -9.680 3.148 6.542 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.405 1.584 4.146 1.00 0.00 C ATOM 0 H ALA A 83 -9.829 0.488 6.182 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.045 1.424 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.877 2.417 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.069 0.648 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.477 1.699 3.985 1.00 0.00 H new ATOM 1401 N SER A 84 -7.512 3.751 6.505 1.00 0.00 N ATOM 1402 CA SER A 84 -7.751 5.056 7.110 1.00 0.00 C ATOM 1403 C SER A 84 -6.591 6.006 6.828 1.00 0.00 C ATOM 1404 O SER A 84 -5.430 5.672 7.067 1.00 0.00 O ATOM 1405 CB SER A 84 -7.953 4.913 8.619 1.00 0.00 C ATOM 1406 OG SER A 84 -6.818 4.327 9.233 1.00 0.00 O ATOM 0 H SER A 84 -6.534 3.561 6.284 1.00 0.00 H new ATOM 0 HA SER A 84 -8.656 5.474 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.143 5.893 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.833 4.300 8.815 1.00 0.00 H new ATOM 0 HG SER A 84 -6.972 4.248 10.198 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.914 7.190 6.320 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.900 8.189 6.007 1.00 0.00 C ATOM 1414 C ILE A 85 -4.998 8.452 7.208 1.00 0.00 C ATOM 1415 O ILE A 85 -5.452 8.934 8.245 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.537 9.517 5.558 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.392 9.301 4.308 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.461 10.560 5.297 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.579 9.086 3.050 1.00 0.00 C ATOM 0 H ILE A 85 -7.870 7.481 6.116 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.303 7.786 5.188 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.182 9.882 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.039 8.438 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.042 10.165 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.928 11.493 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.891 10.731 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.792 10.205 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.250 8.940 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.951 9.959 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.949 8.205 3.170 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.716 8.133 7.060 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.749 8.338 8.131 1.00 0.00 C ATOM 1433 C ALA A 86 -2.154 9.741 8.072 1.00 0.00 C ATOM 1434 O ALA A 86 -1.416 10.074 7.144 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.647 7.292 8.054 1.00 0.00 C ATOM 0 H ALA A 86 -3.323 7.732 6.208 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.270 8.232 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.932 7.457 8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.082 6.297 8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.137 7.371 7.094 1.00 0.00 H new ATOM 1441 N ILE A 87 -2.480 10.559 9.067 1.00 0.00 N ATOM 1442 CA ILE A 87 -1.977 11.926 9.128 1.00 0.00 C ATOM 1443 C ILE A 87 -1.209 12.171 10.422 1.00 0.00 C ATOM 1444 O ILE A 87 -0.889 13.311 10.760 1.00 0.00 O ATOM 1445 CB ILE A 87 -3.121 12.952 9.021 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -4.064 12.824 10.219 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -3.882 12.761 7.718 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -5.038 13.974 10.346 1.00 0.00 C ATOM 0 H ILE A 87 -3.090 10.299 9.842 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.305 12.054 8.279 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.693 13.954 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.623 11.892 10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.472 12.757 11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.687 13.493 7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.203 12.897 6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.302 11.756 7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.675 13.817 11.216 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.486 14.907 10.464 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.656 14.028 9.450 1.00 0.00 H new TER 1460 ILE A 87