USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 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 21 SER OG : rot 154:sc= 0.158 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 165:sc= 0.114 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0136 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 144:sc= 0.695 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.74) USER MOD Single : A 8 THR OG1 : rot -144:sc= 1.97 USER MOD Single : A 10 SER OG : rot 4:sc= 0.479 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 1.12 (180deg=-0.0542) USER MOD Single : A 17 TYR OH : rot 15:sc= -0.465! USER MOD Single : A 20 GLN : amide:sc= 0.0224 K(o=0.022,f=-3.2!) USER MOD Single : A 22 MET CE :methyl -132:sc= 0 (180deg=-0.276) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0074 USER MOD Single : A 28 SER OG : rot 81:sc= 0.171 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 40 SER OG : rot 62:sc= 1.24 USER MOD Single : A 42 SER OG : rot 180:sc= -0.131 USER MOD Single : A 52 SER OG : rot 79:sc= -1.03! USER MOD Single : A 53 GLN : amide:sc= -0.93 X(o=-0.93,f=-0.9) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= 1.01 (180deg=-1.49!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 67 ASN : amide:sc= -0.0281 K(o=-0.028,f=-3.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.229 F(o=-0.82,f=-0.23) USER MOD Single : A 71 SER OG : rot 64:sc= 0.174 USER MOD Single : A 76 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.876 F(o=-2.1!,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.821 6.596 5.804 1.00 0.00 N ATOM 2 CA ALA A 1 -8.846 5.677 6.431 1.00 0.00 C ATOM 3 C ALA A 1 -9.218 4.234 6.144 1.00 0.00 C ATOM 4 O ALA A 1 -10.393 3.865 6.200 1.00 0.00 O ATOM 5 CB ALA A 1 -8.784 5.910 7.933 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.032 7.377 6.458 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.420 6.979 4.924 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.697 6.079 5.589 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.863 5.878 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.062 5.225 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.479 6.938 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.767 5.734 8.369 1.00 0.00 H new ATOM 13 N THR A 2 -8.228 3.421 5.825 1.00 0.00 N ATOM 14 CA THR A 2 -8.456 2.006 5.616 1.00 0.00 C ATOM 15 C THR A 2 -8.065 1.221 6.861 1.00 0.00 C ATOM 16 O THR A 2 -6.884 0.977 7.101 1.00 0.00 O ATOM 17 CB THR A 2 -7.657 1.483 4.407 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.328 2.573 3.531 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.456 0.441 3.642 1.00 0.00 C ATOM 0 H THR A 2 -7.259 3.717 5.705 1.00 0.00 H new ATOM 0 HA THR A 2 -9.518 1.867 5.414 1.00 0.00 H new ATOM 0 HB THR A 2 -6.742 1.020 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.436 2.429 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.872 0.086 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.685 -0.397 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.384 0.885 3.283 1.00 0.00 H new ATOM 27 N THR A 3 -9.054 0.859 7.663 1.00 0.00 N ATOM 28 CA THR A 3 -8.814 0.049 8.845 1.00 0.00 C ATOM 29 C THR A 3 -8.687 -1.415 8.455 1.00 0.00 C ATOM 30 O THR A 3 -9.553 -1.960 7.771 1.00 0.00 O ATOM 31 CB THR A 3 -9.939 0.221 9.881 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.460 1.560 9.813 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.426 -0.062 11.289 1.00 0.00 C ATOM 0 H THR A 3 -10.031 1.114 7.516 1.00 0.00 H new ATOM 0 HA THR A 3 -7.882 0.386 9.300 1.00 0.00 H new ATOM 0 HB THR A 3 -10.732 -0.491 9.653 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.177 1.666 10.472 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.238 0.066 12.005 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.053 -1.085 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.619 0.631 11.528 1.00 0.00 H new ATOM 41 N ILE A 4 -7.600 -2.039 8.875 1.00 0.00 N ATOM 42 CA ILE A 4 -7.302 -3.400 8.475 1.00 0.00 C ATOM 43 C ILE A 4 -7.764 -4.408 9.522 1.00 0.00 C ATOM 44 O ILE A 4 -7.283 -4.411 10.659 1.00 0.00 O ATOM 45 CB ILE A 4 -5.792 -3.590 8.221 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.252 -2.460 7.338 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.536 -4.941 7.581 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.740 -2.441 7.213 1.00 0.00 C ATOM 0 H ILE A 4 -6.907 -1.621 9.496 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.848 -3.580 7.549 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.268 -3.555 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.687 -2.551 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.584 -1.505 7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.467 -5.064 7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.889 -5.731 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.068 -5.000 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.438 -1.612 6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.295 -2.317 8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.399 -3.380 6.776 1.00 0.00 H new ATOM 60 N GLY A 5 -8.716 -5.240 9.130 1.00 0.00 N ATOM 61 CA GLY A 5 -9.168 -6.327 9.969 1.00 0.00 C ATOM 62 C GLY A 5 -9.636 -7.504 9.137 1.00 0.00 C ATOM 63 O GLY A 5 -9.461 -7.507 7.915 1.00 0.00 O ATOM 0 H GLY A 5 -9.190 -5.178 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.358 -6.643 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.982 -5.983 10.607 1.00 0.00 H new ATOM 67 N PRO A 6 -10.256 -8.516 9.762 1.00 0.00 N ATOM 68 CA PRO A 6 -10.751 -9.702 9.053 1.00 0.00 C ATOM 69 C PRO A 6 -11.927 -9.376 8.137 1.00 0.00 C ATOM 70 O PRO A 6 -12.196 -10.086 7.169 1.00 0.00 O ATOM 71 CB PRO A 6 -11.196 -10.634 10.182 1.00 0.00 C ATOM 72 CG PRO A 6 -11.496 -9.729 11.324 1.00 0.00 C ATOM 73 CD PRO A 6 -10.521 -8.590 11.210 1.00 0.00 C ATOM 0 HA PRO A 6 -9.991 -10.135 8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.074 -11.213 9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.413 -11.348 10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.524 -9.370 11.279 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.381 -10.248 12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.943 -7.660 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.610 -8.782 11.777 1.00 0.00 H new ATOM 81 N ASN A 7 -12.621 -8.286 8.443 1.00 0.00 N ATOM 82 CA ASN A 7 -13.762 -7.860 7.646 1.00 0.00 C ATOM 83 C ASN A 7 -13.298 -7.040 6.452 1.00 0.00 C ATOM 84 O ASN A 7 -14.062 -6.784 5.524 1.00 0.00 O ATOM 85 CB ASN A 7 -14.742 -7.051 8.502 1.00 0.00 C ATOM 86 CG ASN A 7 -15.816 -7.924 9.121 1.00 0.00 C ATOM 87 OD1 ASN A 7 -16.365 -8.811 8.468 1.00 0.00 O ATOM 88 ND2 ASN A 7 -16.136 -7.673 10.379 1.00 0.00 N ATOM 0 H ASN A 7 -12.412 -7.682 9.238 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.277 -8.747 7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.194 -6.537 9.292 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.210 -6.282 7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.860 -8.223 10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.659 -6.929 10.888 1.00 0.00 H new ATOM 95 N THR A 8 -12.038 -6.634 6.487 1.00 0.00 N ATOM 96 CA THR A 8 -11.443 -5.876 5.402 1.00 0.00 C ATOM 97 C THR A 8 -10.987 -6.800 4.281 1.00 0.00 C ATOM 98 O THR A 8 -11.363 -6.620 3.122 1.00 0.00 O ATOM 99 CB THR A 8 -10.240 -5.062 5.906 1.00 0.00 C ATOM 100 OG1 THR A 8 -10.536 -4.518 7.197 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.894 -3.941 4.938 1.00 0.00 C ATOM 0 H THR A 8 -11.404 -6.820 7.264 1.00 0.00 H new ATOM 0 HA THR A 8 -12.204 -5.197 5.018 1.00 0.00 H new ATOM 0 HB THR A 8 -9.379 -5.726 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.125 -3.632 7.281 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.040 -3.382 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.645 -4.364 3.965 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.749 -3.272 4.835 1.00 0.00 H new ATOM 109 N CYS A 9 -10.180 -7.793 4.630 1.00 0.00 N ATOM 110 CA CYS A 9 -9.632 -8.704 3.639 1.00 0.00 C ATOM 111 C CYS A 9 -9.331 -10.067 4.251 1.00 0.00 C ATOM 112 O CYS A 9 -8.371 -10.227 5.004 1.00 0.00 O ATOM 113 CB CYS A 9 -8.361 -8.110 3.024 1.00 0.00 C ATOM 114 SG CYS A 9 -8.249 -8.295 1.217 1.00 0.00 S ATOM 0 H CYS A 9 -9.892 -7.986 5.589 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.378 -8.842 2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.312 -7.050 3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.493 -8.586 3.481 1.00 0.00 H new ATOM 119 N SER A 10 -10.177 -11.036 3.947 1.00 0.00 N ATOM 120 CA SER A 10 -9.964 -12.409 4.372 1.00 0.00 C ATOM 121 C SER A 10 -10.637 -13.358 3.389 1.00 0.00 C ATOM 122 O SER A 10 -11.698 -13.924 3.667 1.00 0.00 O ATOM 123 CB SER A 10 -10.498 -12.629 5.792 1.00 0.00 C ATOM 124 OG SER A 10 -9.752 -11.882 6.744 1.00 0.00 O ATOM 0 H SER A 10 -11.027 -10.895 3.401 1.00 0.00 H new ATOM 0 HA SER A 10 -8.893 -12.613 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.547 -12.337 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.451 -13.689 6.041 1.00 0.00 H new ATOM 0 HG SER A 10 -9.087 -11.332 6.280 1.00 0.00 H new ATOM 130 N ILE A 11 -10.028 -13.502 2.220 1.00 0.00 N ATOM 131 CA ILE A 11 -10.555 -14.381 1.184 1.00 0.00 C ATOM 132 C ILE A 11 -9.891 -15.751 1.278 1.00 0.00 C ATOM 133 O ILE A 11 -9.474 -16.163 2.364 1.00 0.00 O ATOM 134 CB ILE A 11 -10.355 -13.792 -0.230 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.104 -12.282 -0.157 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.570 -14.086 -1.104 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.809 -11.648 -1.499 1.00 0.00 C ATOM 0 H ILE A 11 -9.166 -13.020 1.964 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.628 -14.481 1.349 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.480 -14.264 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.978 -11.798 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.267 -12.094 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.414 -13.665 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.708 -15.164 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.457 -13.639 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.642 -10.579 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.917 -12.104 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.655 -11.804 -2.169 1.00 0.00 H new ATOM 149 N ASP A 12 -9.778 -16.446 0.149 1.00 0.00 N ATOM 150 CA ASP A 12 -9.202 -17.788 0.124 1.00 0.00 C ATOM 151 C ASP A 12 -7.723 -17.755 0.483 1.00 0.00 C ATOM 152 O ASP A 12 -6.867 -17.540 -0.379 1.00 0.00 O ATOM 153 CB ASP A 12 -9.390 -18.437 -1.245 1.00 0.00 C ATOM 154 CG ASP A 12 -9.386 -19.951 -1.177 1.00 0.00 C ATOM 155 OD1 ASP A 12 -9.083 -20.506 -0.096 1.00 0.00 O ATOM 156 OD2 ASP A 12 -9.690 -20.598 -2.204 1.00 0.00 O ATOM 0 H ASP A 12 -10.078 -16.101 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.728 -18.385 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.332 -18.099 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.595 -18.105 -1.913 1.00 0.00 H new ATOM 161 N ASP A 13 -7.448 -17.976 1.766 1.00 0.00 N ATOM 162 CA ASP A 13 -6.091 -17.943 2.307 1.00 0.00 C ATOM 163 C ASP A 13 -5.405 -16.628 1.979 1.00 0.00 C ATOM 164 O ASP A 13 -4.206 -16.581 1.706 1.00 0.00 O ATOM 165 CB ASP A 13 -5.265 -19.118 1.786 1.00 0.00 C ATOM 166 CG ASP A 13 -4.396 -19.731 2.861 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.865 -19.848 4.013 1.00 0.00 O ATOM 168 OD2 ASP A 13 -3.244 -20.111 2.554 1.00 0.00 O ATOM 0 H ASP A 13 -8.163 -18.184 2.463 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.165 -18.030 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.934 -19.879 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.636 -18.780 0.962 1.00 0.00 H new ATOM 173 N TYR A 14 -6.177 -15.557 2.015 1.00 0.00 N ATOM 174 CA TYR A 14 -5.681 -14.246 1.648 1.00 0.00 C ATOM 175 C TYR A 14 -5.597 -13.343 2.865 1.00 0.00 C ATOM 176 O TYR A 14 -6.591 -13.135 3.562 1.00 0.00 O ATOM 177 CB TYR A 14 -6.590 -13.620 0.596 1.00 0.00 C ATOM 178 CG TYR A 14 -6.207 -13.966 -0.824 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.912 -13.764 -1.282 1.00 0.00 C ATOM 180 CD2 TYR A 14 -7.143 -14.482 -1.711 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.561 -14.062 -2.581 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.799 -14.787 -3.014 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.505 -14.570 -3.445 1.00 0.00 C ATOM 184 OH TYR A 14 -5.157 -14.863 -4.745 1.00 0.00 O ATOM 0 H TYR A 14 -7.157 -15.572 2.297 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.679 -14.360 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.615 -13.944 0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.573 -12.536 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.167 -13.367 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.157 -14.648 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.549 -13.898 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.537 -15.192 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.938 -15.214 -5.222 1.00 0.00 H new ATOM 194 N LYS A 15 -4.409 -12.815 3.110 1.00 0.00 N ATOM 195 CA LYS A 15 -4.193 -11.919 4.233 1.00 0.00 C ATOM 196 C LYS A 15 -4.075 -10.483 3.737 1.00 0.00 C ATOM 197 O LYS A 15 -3.619 -10.246 2.615 1.00 0.00 O ATOM 198 CB LYS A 15 -2.937 -12.316 5.027 1.00 0.00 C ATOM 199 CG LYS A 15 -1.904 -13.095 4.222 1.00 0.00 C ATOM 200 CD LYS A 15 -2.017 -14.588 4.470 1.00 0.00 C ATOM 201 CE LYS A 15 -1.024 -15.367 3.625 1.00 0.00 C ATOM 202 NZ LYS A 15 0.212 -15.697 4.378 1.00 0.00 N ATOM 0 H LYS A 15 -3.578 -12.992 2.545 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.050 -11.997 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.469 -11.413 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.239 -12.916 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.039 -12.890 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.903 -12.756 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.842 -14.797 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.030 -14.920 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.491 -16.287 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.765 -14.784 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.629 -16.570 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.894 -14.918 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.020 -15.835 5.382 1.00 0.00 H new ATOM 216 N PRO A 16 -4.489 -9.511 4.561 1.00 0.00 N ATOM 217 CA PRO A 16 -4.468 -8.103 4.195 1.00 0.00 C ATOM 218 C PRO A 16 -3.070 -7.506 4.280 1.00 0.00 C ATOM 219 O PRO A 16 -2.309 -7.791 5.207 1.00 0.00 O ATOM 220 CB PRO A 16 -5.397 -7.437 5.220 1.00 0.00 C ATOM 221 CG PRO A 16 -5.944 -8.540 6.071 1.00 0.00 C ATOM 222 CD PRO A 16 -5.009 -9.700 5.916 1.00 0.00 C ATOM 0 HA PRO A 16 -4.784 -7.953 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.852 -6.713 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.201 -6.895 4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.008 -8.230 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.952 -8.809 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.214 -9.682 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.525 -10.654 6.023 1.00 0.00 H new ATOM 230 N TYR A 17 -2.737 -6.688 3.302 1.00 0.00 N ATOM 231 CA TYR A 17 -1.452 -6.017 3.253 1.00 0.00 C ATOM 232 C TYR A 17 -1.647 -4.523 3.101 1.00 0.00 C ATOM 233 O TYR A 17 -2.580 -4.078 2.430 1.00 0.00 O ATOM 234 CB TYR A 17 -0.622 -6.540 2.082 1.00 0.00 C ATOM 235 CG TYR A 17 0.173 -7.778 2.408 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.453 -9.009 2.554 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.549 -7.717 2.579 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.266 -10.143 2.862 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.278 -8.848 2.883 1.00 0.00 C ATOM 240 CZ TYR A 17 1.635 -10.058 3.025 1.00 0.00 C ATOM 241 OH TYR A 17 2.365 -11.177 3.342 1.00 0.00 O ATOM 0 H TYR A 17 -3.350 -6.469 2.517 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.925 -6.220 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.286 -6.755 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.061 -5.756 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.523 -9.079 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.057 -6.770 2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.237 -11.092 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.349 -8.785 3.009 1.00 0.00 H new ATOM 0 HH TYR A 17 1.823 -11.978 3.180 1.00 0.00 H new ATOM 251 N CYS A 18 -0.772 -3.754 3.716 1.00 0.00 N ATOM 252 CA CYS A 18 -0.798 -2.312 3.566 1.00 0.00 C ATOM 253 C CYS A 18 0.201 -1.907 2.498 1.00 0.00 C ATOM 254 O CYS A 18 1.408 -2.080 2.673 1.00 0.00 O ATOM 255 CB CYS A 18 -0.467 -1.623 4.893 1.00 0.00 C ATOM 256 SG CYS A 18 -0.579 0.197 4.839 1.00 0.00 S ATOM 0 H CYS A 18 -0.033 -4.103 4.326 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.799 -2.001 3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.145 -1.995 5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.542 -1.905 5.194 1.00 0.00 H new ATOM 261 N CYS A 19 -0.300 -1.399 1.382 1.00 0.00 N ATOM 262 CA CYS A 19 0.560 -0.992 0.285 1.00 0.00 C ATOM 263 C CYS A 19 -0.121 0.067 -0.570 1.00 0.00 C ATOM 264 O CYS A 19 -1.332 0.026 -0.787 1.00 0.00 O ATOM 265 CB CYS A 19 0.930 -2.206 -0.575 1.00 0.00 C ATOM 266 SG CYS A 19 2.629 -2.176 -1.235 1.00 0.00 S ATOM 0 H CYS A 19 -1.296 -1.260 1.214 1.00 0.00 H new ATOM 0 HA CYS A 19 1.470 -0.563 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.801 -3.110 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.231 -2.271 -1.409 1.00 0.00 H new ATOM 271 N GLN A 20 0.654 1.030 -1.034 1.00 0.00 N ATOM 272 CA GLN A 20 0.138 2.058 -1.920 1.00 0.00 C ATOM 273 C GLN A 20 0.760 1.912 -3.304 1.00 0.00 C ATOM 274 O GLN A 20 1.971 2.072 -3.481 1.00 0.00 O ATOM 275 CB GLN A 20 0.380 3.467 -1.343 1.00 0.00 C ATOM 276 CG GLN A 20 1.841 3.818 -1.089 1.00 0.00 C ATOM 277 CD GLN A 20 2.386 3.199 0.181 1.00 0.00 C ATOM 278 OE1 GLN A 20 2.977 2.121 0.151 1.00 0.00 O ATOM 279 NE2 GLN A 20 2.194 3.871 1.303 1.00 0.00 N ATOM 0 H GLN A 20 1.645 1.122 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.941 1.929 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.040 4.201 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.168 3.558 -0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.441 3.485 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.944 4.902 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.699 4.762 1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.541 3.498 2.187 1.00 0.00 H new ATOM 288 N SER A 21 -0.070 1.579 -4.275 1.00 0.00 N ATOM 289 CA SER A 21 0.386 1.373 -5.638 1.00 0.00 C ATOM 290 C SER A 21 0.392 2.693 -6.401 1.00 0.00 C ATOM 291 O SER A 21 -0.548 3.010 -7.130 1.00 0.00 O ATOM 292 CB SER A 21 -0.513 0.350 -6.333 1.00 0.00 C ATOM 293 OG SER A 21 -1.392 -0.269 -5.404 1.00 0.00 O ATOM 0 H SER A 21 -1.072 1.444 -4.143 1.00 0.00 H new ATOM 0 HA SER A 21 1.406 0.989 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.092 0.841 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.101 -0.408 -6.819 1.00 0.00 H new ATOM 0 HG SER A 21 -2.197 -0.578 -5.871 1.00 0.00 H new ATOM 299 N MET A 22 1.452 3.465 -6.214 1.00 0.00 N ATOM 300 CA MET A 22 1.570 4.770 -6.849 1.00 0.00 C ATOM 301 C MET A 22 2.506 4.691 -8.049 1.00 0.00 C ATOM 302 O MET A 22 2.413 3.772 -8.863 1.00 0.00 O ATOM 303 CB MET A 22 2.082 5.811 -5.845 1.00 0.00 C ATOM 304 CG MET A 22 1.708 5.508 -4.403 1.00 0.00 C ATOM 305 SD MET A 22 0.476 6.647 -3.744 1.00 0.00 S ATOM 306 CE MET A 22 -1.041 5.835 -4.248 1.00 0.00 C ATOM 0 H MET A 22 2.245 3.210 -5.626 1.00 0.00 H new ATOM 0 HA MET A 22 0.583 5.077 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.167 5.875 -5.923 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.685 6.789 -6.116 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.325 4.489 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.604 5.552 -3.784 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.706 6.563 -4.714 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.811 5.045 -4.962 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.530 5.403 -3.375 1.00 0.00 H new ATOM 316 N SER A 23 3.414 5.651 -8.151 1.00 0.00 N ATOM 317 CA SER A 23 4.384 5.672 -9.229 1.00 0.00 C ATOM 318 C SER A 23 5.523 4.700 -8.941 1.00 0.00 C ATOM 319 O SER A 23 5.870 4.459 -7.781 1.00 0.00 O ATOM 320 CB SER A 23 4.930 7.089 -9.405 1.00 0.00 C ATOM 321 OG SER A 23 3.962 8.052 -9.014 1.00 0.00 O ATOM 0 H SER A 23 3.497 6.428 -7.495 1.00 0.00 H new ATOM 0 HA SER A 23 3.893 5.362 -10.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.834 7.212 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.210 7.250 -10.446 1.00 0.00 H new ATOM 0 HG SER A 23 4.330 8.953 -9.132 1.00 0.00 H new ATOM 327 N GLY A 24 6.091 4.139 -9.995 1.00 0.00 N ATOM 328 CA GLY A 24 7.166 3.183 -9.847 1.00 0.00 C ATOM 329 C GLY A 24 7.584 2.590 -11.179 1.00 0.00 C ATOM 330 O GLY A 24 7.993 3.321 -12.083 1.00 0.00 O ATOM 0 H GLY A 24 5.823 4.331 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.023 3.670 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.851 2.383 -9.177 1.00 0.00 H new ATOM 334 N PRO A 25 7.485 1.261 -11.330 1.00 0.00 N ATOM 335 CA PRO A 25 7.854 0.562 -12.564 1.00 0.00 C ATOM 336 C PRO A 25 6.839 0.791 -13.681 1.00 0.00 C ATOM 337 O PRO A 25 5.874 0.039 -13.825 1.00 0.00 O ATOM 338 CB PRO A 25 7.884 -0.923 -12.159 1.00 0.00 C ATOM 339 CG PRO A 25 7.734 -0.941 -10.672 1.00 0.00 C ATOM 340 CD PRO A 25 7.012 0.321 -10.308 1.00 0.00 C ATOM 0 HA PRO A 25 8.805 0.920 -12.960 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.078 -1.476 -12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.819 -1.393 -12.464 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.173 -1.818 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.707 -0.987 -10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.930 0.194 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.262 0.656 -9.301 1.00 0.00 H new ATOM 348 N ALA A 26 7.052 1.843 -14.455 1.00 0.00 N ATOM 349 CA ALA A 26 6.184 2.165 -15.579 1.00 0.00 C ATOM 350 C ALA A 26 6.992 2.816 -16.693 1.00 0.00 C ATOM 351 O ALA A 26 7.083 4.044 -16.777 1.00 0.00 O ATOM 352 CB ALA A 26 5.047 3.079 -15.136 1.00 0.00 C ATOM 0 H ALA A 26 7.826 2.495 -14.324 1.00 0.00 H new ATOM 0 HA ALA A 26 5.747 1.241 -15.958 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.410 3.308 -15.990 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.457 2.580 -14.367 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.460 4.004 -14.733 1.00 0.00 H new ATOM 358 N GLY A 27 7.602 1.985 -17.533 1.00 0.00 N ATOM 359 CA GLY A 27 8.453 2.489 -18.594 1.00 0.00 C ATOM 360 C GLY A 27 9.639 3.250 -18.044 1.00 0.00 C ATOM 361 O GLY A 27 9.992 4.322 -18.538 1.00 0.00 O ATOM 0 H GLY A 27 7.521 0.969 -17.497 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.805 1.657 -19.204 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.873 3.141 -19.247 1.00 0.00 H new ATOM 365 N SER A 28 10.231 2.699 -16.996 1.00 0.00 N ATOM 366 CA SER A 28 11.345 3.328 -16.312 1.00 0.00 C ATOM 367 C SER A 28 12.579 3.378 -17.211 1.00 0.00 C ATOM 368 O SER A 28 12.951 2.372 -17.816 1.00 0.00 O ATOM 369 CB SER A 28 11.644 2.547 -15.035 1.00 0.00 C ATOM 370 OG SER A 28 10.703 1.492 -14.867 1.00 0.00 O ATOM 0 H SER A 28 9.951 1.803 -16.597 1.00 0.00 H new ATOM 0 HA SER A 28 11.080 4.355 -16.061 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.654 2.139 -15.079 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.608 3.216 -14.175 1.00 0.00 H new ATOM 0 HG SER A 28 10.965 0.729 -15.423 1.00 0.00 H new ATOM 376 N PRO A 29 13.218 4.558 -17.317 1.00 0.00 N ATOM 377 CA PRO A 29 14.426 4.751 -18.133 1.00 0.00 C ATOM 378 C PRO A 29 15.651 4.059 -17.534 1.00 0.00 C ATOM 379 O PRO A 29 16.657 4.700 -17.226 1.00 0.00 O ATOM 380 CB PRO A 29 14.626 6.276 -18.144 1.00 0.00 C ATOM 381 CG PRO A 29 13.367 6.852 -17.585 1.00 0.00 C ATOM 382 CD PRO A 29 12.806 5.808 -16.666 1.00 0.00 C ATOM 0 HA PRO A 29 14.310 4.320 -19.127 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.489 6.562 -17.542 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.808 6.640 -19.155 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.567 7.778 -17.047 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.661 7.092 -18.380 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.212 5.894 -15.658 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.722 5.883 -16.580 1.00 0.00 H new ATOM 390 N GLY A 30 15.553 2.752 -17.365 1.00 0.00 N ATOM 391 CA GLY A 30 16.648 1.978 -16.822 1.00 0.00 C ATOM 392 C GLY A 30 16.405 0.491 -16.977 1.00 0.00 C ATOM 393 O GLY A 30 16.765 -0.304 -16.108 1.00 0.00 O ATOM 0 H GLY A 30 14.723 2.206 -17.597 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.574 2.251 -17.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 16.778 2.219 -15.767 1.00 0.00 H new ATOM 397 N LEU A 31 15.798 0.112 -18.097 1.00 0.00 N ATOM 398 CA LEU A 31 15.453 -1.283 -18.347 1.00 0.00 C ATOM 399 C LEU A 31 16.639 -2.024 -18.957 1.00 0.00 C ATOM 400 O LEU A 31 16.702 -3.251 -18.924 1.00 0.00 O ATOM 401 CB LEU A 31 14.223 -1.393 -19.261 1.00 0.00 C ATOM 402 CG LEU A 31 14.008 -0.225 -20.225 1.00 0.00 C ATOM 403 CD1 LEU A 31 14.404 -0.620 -21.638 1.00 0.00 C ATOM 404 CD2 LEU A 31 12.560 0.234 -20.187 1.00 0.00 C ATOM 0 H LEU A 31 15.535 0.752 -18.846 1.00 0.00 H new ATOM 0 HA LEU A 31 15.206 -1.746 -17.392 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.307 -2.311 -19.843 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.336 -1.492 -18.636 1.00 0.00 H new ATOM 0 HG LEU A 31 14.642 0.604 -19.910 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.244 0.223 -22.310 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.456 -0.903 -21.655 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.796 -1.464 -21.964 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.424 1.066 -20.878 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.909 -0.590 -20.478 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.307 0.557 -19.177 1.00 0.00 H new ATOM 416 N LEU A 32 17.576 -1.268 -19.511 1.00 0.00 N ATOM 417 CA LEU A 32 18.796 -1.855 -20.050 1.00 0.00 C ATOM 418 C LEU A 32 19.894 -1.869 -18.991 1.00 0.00 C ATOM 419 O LEU A 32 20.873 -2.604 -19.100 1.00 0.00 O ATOM 420 CB LEU A 32 19.263 -1.093 -21.301 1.00 0.00 C ATOM 421 CG LEU A 32 19.862 0.294 -21.046 1.00 0.00 C ATOM 422 CD1 LEU A 32 21.380 0.248 -21.124 1.00 0.00 C ATOM 423 CD2 LEU A 32 19.311 1.295 -22.045 1.00 0.00 C ATOM 0 H LEU A 32 17.517 -0.254 -19.599 1.00 0.00 H new ATOM 0 HA LEU A 32 18.581 -2.884 -20.340 1.00 0.00 H new ATOM 0 HB2 LEU A 32 20.006 -1.700 -21.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.414 -0.984 -21.976 1.00 0.00 H new ATOM 0 HG LEU A 32 19.582 0.611 -20.041 1.00 0.00 H new ATOM 0 HD11 LEU A 32 21.784 1.243 -20.940 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.762 -0.443 -20.373 1.00 0.00 H new ATOM 0 HD13 LEU A 32 21.683 -0.089 -22.115 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.744 2.277 -21.853 1.00 0.00 H new ATOM 0 HD22 LEU A 32 19.565 0.977 -23.056 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.227 1.351 -21.944 1.00 0.00 H new ATOM 435 N ASN A 33 19.714 -1.064 -17.952 1.00 0.00 N ATOM 436 CA ASN A 33 20.719 -0.941 -16.900 1.00 0.00 C ATOM 437 C ASN A 33 20.633 -2.111 -15.933 1.00 0.00 C ATOM 438 O ASN A 33 21.613 -2.468 -15.279 1.00 0.00 O ATOM 439 CB ASN A 33 20.545 0.375 -16.141 1.00 0.00 C ATOM 440 CG ASN A 33 21.170 1.545 -16.877 1.00 0.00 C ATOM 441 OD1 ASN A 33 20.468 2.356 -17.484 1.00 0.00 O ATOM 442 ND2 ASN A 33 22.489 1.645 -16.828 1.00 0.00 N ATOM 0 H ASN A 33 18.884 -0.487 -17.814 1.00 0.00 H new ATOM 0 HA ASN A 33 21.702 -0.949 -17.371 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.483 0.568 -15.990 1.00 0.00 H new ATOM 0 HB3 ASN A 33 20.997 0.286 -15.153 1.00 0.00 H new ATOM 0 HD21 ASN A 33 22.960 2.414 -17.304 1.00 0.00 H new ATOM 0 HD22 ASN A 33 23.034 0.953 -16.314 1.00 0.00 H new ATOM 449 N LEU A 34 19.456 -2.706 -15.853 1.00 0.00 N ATOM 450 CA LEU A 34 19.241 -3.880 -15.023 1.00 0.00 C ATOM 451 C LEU A 34 18.685 -5.007 -15.878 1.00 0.00 C ATOM 452 O LEU A 34 18.459 -4.823 -17.070 1.00 0.00 O ATOM 453 CB LEU A 34 18.274 -3.557 -13.882 1.00 0.00 C ATOM 454 CG LEU A 34 18.934 -3.039 -12.601 1.00 0.00 C ATOM 455 CD1 LEU A 34 18.794 -1.527 -12.503 1.00 0.00 C ATOM 456 CD2 LEU A 34 18.327 -3.713 -11.381 1.00 0.00 C ATOM 0 H LEU A 34 18.627 -2.392 -16.358 1.00 0.00 H new ATOM 0 HA LEU A 34 20.192 -4.190 -14.589 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.559 -2.812 -14.232 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.706 -4.456 -13.642 1.00 0.00 H new ATOM 0 HG LEU A 34 19.996 -3.283 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.269 -1.176 -11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.275 -1.061 -13.363 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.737 -1.260 -12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.807 -3.334 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.259 -3.499 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.479 -4.790 -11.447 1.00 0.00 H new ATOM 468 N ILE A 35 18.470 -6.168 -15.283 1.00 0.00 N ATOM 469 CA ILE A 35 17.872 -7.279 -16.002 1.00 0.00 C ATOM 470 C ILE A 35 16.496 -7.576 -15.428 1.00 0.00 C ATOM 471 O ILE A 35 16.376 -8.171 -14.357 1.00 0.00 O ATOM 472 CB ILE A 35 18.749 -8.550 -15.945 1.00 0.00 C ATOM 473 CG1 ILE A 35 20.173 -8.249 -16.432 1.00 0.00 C ATOM 474 CG2 ILE A 35 18.125 -9.668 -16.773 1.00 0.00 C ATOM 475 CD1 ILE A 35 20.252 -7.832 -17.889 1.00 0.00 C ATOM 0 H ILE A 35 18.699 -6.365 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 35 17.787 -6.988 -17.049 1.00 0.00 H new ATOM 0 HB ILE A 35 18.806 -8.880 -14.908 1.00 0.00 H new ATOM 0 HG12 ILE A 35 20.597 -7.457 -15.815 1.00 0.00 H new ATOM 0 HG13 ILE A 35 20.791 -9.134 -16.284 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.756 -10.555 -16.721 1.00 0.00 H new ATOM 0 HG22 ILE A 35 17.136 -9.903 -16.380 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.036 -9.346 -17.811 1.00 0.00 H new ATOM 0 HD11 ILE A 35 21.291 -7.637 -18.156 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.859 -8.631 -18.518 1.00 0.00 H new ATOM 0 HD13 ILE A 35 19.663 -6.928 -18.041 1.00 0.00 H new ATOM 487 N PRO A 36 15.439 -7.126 -16.111 1.00 0.00 N ATOM 488 CA PRO A 36 14.072 -7.320 -15.649 1.00 0.00 C ATOM 489 C PRO A 36 13.610 -8.761 -15.828 1.00 0.00 C ATOM 490 O PRO A 36 13.655 -9.307 -16.932 1.00 0.00 O ATOM 491 CB PRO A 36 13.241 -6.376 -16.536 1.00 0.00 C ATOM 492 CG PRO A 36 14.231 -5.564 -17.310 1.00 0.00 C ATOM 493 CD PRO A 36 15.484 -6.383 -17.374 1.00 0.00 C ATOM 0 HA PRO A 36 13.971 -7.110 -14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.590 -6.940 -17.205 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.599 -5.736 -15.931 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.858 -5.345 -18.310 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.416 -4.607 -16.822 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.491 -7.049 -18.237 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.374 -5.758 -17.446 1.00 0.00 H new ATOM 501 N VAL A 37 13.181 -9.375 -14.735 1.00 0.00 N ATOM 502 CA VAL A 37 12.587 -10.702 -14.797 1.00 0.00 C ATOM 503 C VAL A 37 11.204 -10.608 -15.420 1.00 0.00 C ATOM 504 O VAL A 37 10.906 -11.259 -16.420 1.00 0.00 O ATOM 505 CB VAL A 37 12.484 -11.348 -13.401 1.00 0.00 C ATOM 506 CG1 VAL A 37 12.207 -12.838 -13.519 1.00 0.00 C ATOM 507 CG2 VAL A 37 13.753 -11.100 -12.599 1.00 0.00 C ATOM 0 H VAL A 37 13.233 -8.977 -13.797 1.00 0.00 H new ATOM 0 HA VAL A 37 13.233 -11.332 -15.408 1.00 0.00 H new ATOM 0 HB VAL A 37 11.650 -10.886 -12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.138 -13.275 -12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.267 -12.993 -14.049 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.017 -13.316 -14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.659 -11.564 -11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.605 -11.531 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.904 -10.027 -12.480 1.00 0.00 H new ATOM 517 N ASP A 38 10.377 -9.781 -14.811 1.00 0.00 N ATOM 518 CA ASP A 38 9.050 -9.470 -15.324 1.00 0.00 C ATOM 519 C ASP A 38 8.560 -8.181 -14.687 1.00 0.00 C ATOM 520 O ASP A 38 9.099 -7.750 -13.665 1.00 0.00 O ATOM 521 CB ASP A 38 8.060 -10.604 -15.033 1.00 0.00 C ATOM 522 CG ASP A 38 6.721 -10.398 -15.721 1.00 0.00 C ATOM 523 OD1 ASP A 38 6.709 -9.998 -16.903 1.00 0.00 O ATOM 524 OD2 ASP A 38 5.671 -10.619 -15.078 1.00 0.00 O ATOM 0 H ASP A 38 10.605 -9.301 -13.940 1.00 0.00 H new ATOM 0 HA ASP A 38 9.114 -9.352 -16.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.491 -11.551 -15.359 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.904 -10.679 -13.957 1.00 0.00 H new ATOM 529 N LEU A 39 7.552 -7.565 -15.282 1.00 0.00 N ATOM 530 CA LEU A 39 6.983 -6.348 -14.728 1.00 0.00 C ATOM 531 C LEU A 39 6.040 -6.689 -13.580 1.00 0.00 C ATOM 532 O LEU A 39 6.035 -6.024 -12.545 1.00 0.00 O ATOM 533 CB LEU A 39 6.233 -5.569 -15.810 1.00 0.00 C ATOM 534 CG LEU A 39 6.907 -4.271 -16.255 1.00 0.00 C ATOM 535 CD1 LEU A 39 6.628 -3.999 -17.725 1.00 0.00 C ATOM 536 CD2 LEU A 39 6.435 -3.104 -15.400 1.00 0.00 C ATOM 0 H LEU A 39 7.113 -7.886 -16.145 1.00 0.00 H new ATOM 0 HA LEU A 39 7.793 -5.725 -14.349 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.109 -6.213 -16.680 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.234 -5.335 -15.442 1.00 0.00 H new ATOM 0 HG LEU A 39 7.983 -4.382 -16.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.116 -3.071 -18.022 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.015 -4.821 -18.327 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.553 -3.909 -17.881 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.925 -2.189 -15.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.355 -2.994 -15.499 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.686 -3.293 -14.356 1.00 0.00 H new ATOM 548 N SER A 40 5.265 -7.747 -13.758 1.00 0.00 N ATOM 549 CA SER A 40 4.300 -8.172 -12.756 1.00 0.00 C ATOM 550 C SER A 40 4.939 -9.135 -11.756 1.00 0.00 C ATOM 551 O SER A 40 4.481 -10.267 -11.592 1.00 0.00 O ATOM 552 CB SER A 40 3.107 -8.835 -13.442 1.00 0.00 C ATOM 553 OG SER A 40 3.409 -9.159 -14.792 1.00 0.00 O ATOM 0 H SER A 40 5.286 -8.331 -14.594 1.00 0.00 H new ATOM 0 HA SER A 40 3.958 -7.295 -12.206 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.829 -9.740 -12.901 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.247 -8.167 -13.409 1.00 0.00 H new ATOM 0 HG SER A 40 4.150 -9.800 -14.817 1.00 0.00 H new ATOM 559 N ALA A 41 6.002 -8.688 -11.098 1.00 0.00 N ATOM 560 CA ALA A 41 6.701 -9.520 -10.125 1.00 0.00 C ATOM 561 C ALA A 41 7.465 -8.661 -9.128 1.00 0.00 C ATOM 562 O ALA A 41 8.668 -8.838 -8.929 1.00 0.00 O ATOM 563 CB ALA A 41 7.643 -10.484 -10.831 1.00 0.00 C ATOM 0 H ALA A 41 6.398 -7.756 -11.220 1.00 0.00 H new ATOM 0 HA ALA A 41 5.959 -10.099 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.157 -11.098 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.071 -11.126 -11.501 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.376 -9.920 -11.407 1.00 0.00 H new ATOM 569 N SER A 42 6.778 -7.708 -8.517 1.00 0.00 N ATOM 570 CA SER A 42 7.410 -6.815 -7.556 1.00 0.00 C ATOM 571 C SER A 42 6.419 -6.344 -6.499 1.00 0.00 C ATOM 572 O SER A 42 5.711 -5.357 -6.698 1.00 0.00 O ATOM 573 CB SER A 42 8.011 -5.605 -8.273 1.00 0.00 C ATOM 574 OG SER A 42 8.741 -6.000 -9.427 1.00 0.00 O ATOM 0 H SER A 42 5.785 -7.533 -8.669 1.00 0.00 H new ATOM 0 HA SER A 42 8.203 -7.373 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.215 -4.918 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.668 -5.065 -7.591 1.00 0.00 H new ATOM 0 HG SER A 42 9.113 -5.207 -9.866 1.00 0.00 H new ATOM 580 N LEU A 43 6.361 -7.058 -5.384 1.00 0.00 N ATOM 581 CA LEU A 43 5.529 -6.645 -4.265 1.00 0.00 C ATOM 582 C LEU A 43 6.319 -6.717 -2.965 1.00 0.00 C ATOM 583 O LEU A 43 6.547 -7.796 -2.416 1.00 0.00 O ATOM 584 CB LEU A 43 4.269 -7.517 -4.160 1.00 0.00 C ATOM 585 CG LEU A 43 2.937 -6.784 -4.375 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.816 -5.584 -3.441 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.794 -6.347 -5.824 1.00 0.00 C ATOM 0 H LEU A 43 6.879 -7.923 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 43 5.219 -5.615 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.343 -8.321 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.252 -7.983 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 43 2.130 -7.478 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.864 -5.083 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.865 -5.922 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.632 -4.888 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.844 -5.830 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.612 -5.675 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.823 -7.222 -6.473 1.00 0.00 H new ATOM 599 N GLY A 44 6.741 -5.564 -2.484 1.00 0.00 N ATOM 600 CA GLY A 44 7.428 -5.500 -1.217 1.00 0.00 C ATOM 601 C GLY A 44 6.713 -4.584 -0.255 1.00 0.00 C ATOM 602 O GLY A 44 6.858 -3.363 -0.329 1.00 0.00 O ATOM 0 H GLY A 44 6.619 -4.665 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.498 -6.499 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.448 -5.146 -1.370 1.00 0.00 H new ATOM 606 N CYS A 45 5.931 -5.170 0.635 1.00 0.00 N ATOM 607 CA CYS A 45 5.137 -4.402 1.581 1.00 0.00 C ATOM 608 C CYS A 45 4.876 -5.227 2.836 1.00 0.00 C ATOM 609 O CYS A 45 5.375 -6.344 2.961 1.00 0.00 O ATOM 610 CB CYS A 45 3.824 -3.961 0.927 1.00 0.00 C ATOM 611 SG CYS A 45 3.804 -2.206 0.421 1.00 0.00 S ATOM 0 H CYS A 45 5.828 -6.181 0.723 1.00 0.00 H new ATOM 0 HA CYS A 45 5.689 -3.508 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.638 -4.584 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.005 -4.138 1.624 1.00 0.00 H new ATOM 616 N VAL A 46 4.074 -4.702 3.748 1.00 0.00 N ATOM 617 CA VAL A 46 3.919 -5.321 5.059 1.00 0.00 C ATOM 618 C VAL A 46 2.490 -5.782 5.302 1.00 0.00 C ATOM 619 O VAL A 46 1.539 -5.243 4.728 1.00 0.00 O ATOM 620 CB VAL A 46 4.321 -4.350 6.185 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.828 -4.333 6.366 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.793 -2.953 5.896 1.00 0.00 C ATOM 0 H VAL A 46 3.523 -3.855 3.609 1.00 0.00 H new ATOM 0 HA VAL A 46 4.579 -6.188 5.069 1.00 0.00 H new ATOM 0 HB VAL A 46 3.874 -4.698 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.091 -3.641 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.175 -5.334 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.302 -4.012 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.086 -2.279 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.208 -2.595 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.706 -2.982 5.825 1.00 0.00 H new ATOM 632 N VAL A 47 2.358 -6.784 6.160 1.00 0.00 N ATOM 633 CA VAL A 47 1.060 -7.333 6.517 1.00 0.00 C ATOM 634 C VAL A 47 0.242 -6.313 7.296 1.00 0.00 C ATOM 635 O VAL A 47 0.787 -5.531 8.080 1.00 0.00 O ATOM 636 CB VAL A 47 1.195 -8.611 7.372 1.00 0.00 C ATOM 637 CG1 VAL A 47 1.305 -9.845 6.492 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.390 -8.512 8.313 1.00 0.00 C ATOM 0 H VAL A 47 3.145 -7.237 6.626 1.00 0.00 H new ATOM 0 HA VAL A 47 0.556 -7.583 5.583 1.00 0.00 H new ATOM 0 HB VAL A 47 0.293 -8.706 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.399 -10.732 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.412 -9.931 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.183 -9.758 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.464 -9.424 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.302 -8.382 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.260 -7.658 8.978 1.00 0.00 H new ATOM 648 N GLY A 48 -1.057 -6.319 7.070 1.00 0.00 N ATOM 649 CA GLY A 48 -1.938 -5.434 7.789 1.00 0.00 C ATOM 650 C GLY A 48 -2.397 -6.052 9.089 1.00 0.00 C ATOM 651 O GLY A 48 -3.350 -6.831 9.111 1.00 0.00 O ATOM 0 H GLY A 48 -1.520 -6.927 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.426 -4.494 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.804 -5.198 7.170 1.00 0.00 H new ATOM 655 N VAL A 49 -1.702 -5.725 10.167 1.00 0.00 N ATOM 656 CA VAL A 49 -2.046 -6.241 11.483 1.00 0.00 C ATOM 657 C VAL A 49 -3.424 -5.745 11.908 1.00 0.00 C ATOM 658 O VAL A 49 -3.696 -4.539 11.885 1.00 0.00 O ATOM 659 CB VAL A 49 -0.997 -5.850 12.545 1.00 0.00 C ATOM 660 CG1 VAL A 49 0.073 -6.928 12.647 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.366 -4.499 12.229 1.00 0.00 C ATOM 0 H VAL A 49 -0.894 -5.103 10.156 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.061 -7.328 11.410 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.504 -5.763 13.506 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.808 -6.641 13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.389 -7.873 12.932 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.567 -7.042 11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.368 -4.252 12.996 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.125 -4.545 11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.140 -3.732 12.208 1.00 0.00 H new ATOM 671 N ILE A 50 -4.283 -6.686 12.286 1.00 0.00 N ATOM 672 CA ILE A 50 -5.678 -6.397 12.595 1.00 0.00 C ATOM 673 C ILE A 50 -5.803 -5.344 13.693 1.00 0.00 C ATOM 674 O ILE A 50 -5.281 -5.507 14.800 1.00 0.00 O ATOM 675 CB ILE A 50 -6.434 -7.684 13.004 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.748 -8.523 11.762 1.00 0.00 C ATOM 677 CG2 ILE A 50 -7.719 -7.360 13.754 1.00 0.00 C ATOM 678 CD1 ILE A 50 -5.819 -9.705 11.572 1.00 0.00 C ATOM 0 H ILE A 50 -4.032 -7.669 12.387 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.132 -5.997 11.688 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.790 -8.254 13.674 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.774 -8.886 11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.694 -7.884 10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.225 -8.286 14.026 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.481 -6.797 14.657 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.372 -6.764 13.116 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.104 -10.251 10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.794 -9.349 11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.890 -10.366 12.435 1.00 0.00 H new ATOM 690 N GLY A 51 -6.484 -4.257 13.366 1.00 0.00 N ATOM 691 CA GLY A 51 -6.681 -3.182 14.318 1.00 0.00 C ATOM 692 C GLY A 51 -5.937 -1.924 13.924 1.00 0.00 C ATOM 693 O GLY A 51 -6.097 -0.875 14.548 1.00 0.00 O ATOM 0 H GLY A 51 -6.907 -4.099 12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.745 -2.962 14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.346 -3.506 15.303 1.00 0.00 H new ATOM 697 N SER A 52 -5.121 -2.027 12.887 1.00 0.00 N ATOM 698 CA SER A 52 -4.356 -0.890 12.404 1.00 0.00 C ATOM 699 C SER A 52 -5.043 -0.254 11.203 1.00 0.00 C ATOM 700 O SER A 52 -5.821 -0.906 10.512 1.00 0.00 O ATOM 701 CB SER A 52 -2.949 -1.338 12.022 1.00 0.00 C ATOM 702 OG SER A 52 -2.459 -2.298 12.942 1.00 0.00 O ATOM 0 H SER A 52 -4.972 -2.889 12.363 1.00 0.00 H new ATOM 0 HA SER A 52 -4.294 -0.148 13.200 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.958 -1.762 11.018 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.282 -0.476 11.999 1.00 0.00 H new ATOM 0 HG SER A 52 -2.849 -3.174 12.740 1.00 0.00 H new ATOM 708 N GLN A 53 -4.763 1.017 10.960 1.00 0.00 N ATOM 709 CA GLN A 53 -5.324 1.713 9.811 1.00 0.00 C ATOM 710 C GLN A 53 -4.207 2.179 8.894 1.00 0.00 C ATOM 711 O GLN A 53 -3.073 2.370 9.332 1.00 0.00 O ATOM 712 CB GLN A 53 -6.185 2.905 10.249 1.00 0.00 C ATOM 713 CG GLN A 53 -5.402 4.005 10.950 1.00 0.00 C ATOM 714 CD GLN A 53 -5.118 3.672 12.400 1.00 0.00 C ATOM 715 OE1 GLN A 53 -3.965 3.606 12.821 1.00 0.00 O ATOM 716 NE2 GLN A 53 -6.169 3.447 13.166 1.00 0.00 N ATOM 0 H GLN A 53 -4.151 1.588 11.543 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.966 1.018 9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.679 3.326 9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.969 2.548 10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.460 4.169 10.426 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.963 4.938 10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.109 3.513 12.775 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.042 3.207 14.149 1.00 0.00 H new ATOM 725 N CYS A 54 -4.523 2.343 7.627 1.00 0.00 N ATOM 726 CA CYS A 54 -3.545 2.782 6.652 1.00 0.00 C ATOM 727 C CYS A 54 -4.114 3.878 5.762 1.00 0.00 C ATOM 728 O CYS A 54 -5.309 3.880 5.453 1.00 0.00 O ATOM 729 CB CYS A 54 -3.089 1.603 5.789 1.00 0.00 C ATOM 730 SG CYS A 54 -1.681 0.671 6.477 1.00 0.00 S ATOM 0 H CYS A 54 -5.455 2.178 7.246 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.689 3.185 7.194 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.929 0.922 5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.816 1.975 4.801 1.00 0.00 H new ATOM 735 N GLY A 55 -3.258 4.812 5.367 1.00 0.00 N ATOM 736 CA GLY A 55 -3.646 5.805 4.388 1.00 0.00 C ATOM 737 C GLY A 55 -3.476 5.264 2.986 1.00 0.00 C ATOM 738 O GLY A 55 -3.912 5.870 2.004 1.00 0.00 O ATOM 0 H GLY A 55 -2.301 4.898 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.684 6.095 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.041 6.703 4.513 1.00 0.00 H new ATOM 742 N ALA A 56 -2.820 4.115 2.911 1.00 0.00 N ATOM 743 CA ALA A 56 -2.631 3.408 1.661 1.00 0.00 C ATOM 744 C ALA A 56 -3.789 2.450 1.421 1.00 0.00 C ATOM 745 O ALA A 56 -4.748 2.420 2.194 1.00 0.00 O ATOM 746 CB ALA A 56 -1.311 2.653 1.685 1.00 0.00 C ATOM 0 H ALA A 56 -2.405 3.650 3.718 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.604 4.130 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.177 2.124 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.491 3.358 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.317 1.935 2.505 1.00 0.00 H new ATOM 752 N SER A 57 -3.692 1.658 0.366 1.00 0.00 N ATOM 753 CA SER A 57 -4.746 0.724 0.022 1.00 0.00 C ATOM 754 C SER A 57 -4.473 -0.641 0.648 1.00 0.00 C ATOM 755 O SER A 57 -3.340 -0.943 1.035 1.00 0.00 O ATOM 756 CB SER A 57 -4.857 0.607 -1.500 1.00 0.00 C ATOM 757 OG SER A 57 -4.570 1.854 -2.126 1.00 0.00 O ATOM 0 H SER A 57 -2.892 1.645 -0.267 1.00 0.00 H new ATOM 0 HA SER A 57 -5.692 1.095 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.166 -0.154 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.861 0.281 -1.772 1.00 0.00 H new ATOM 0 HG SER A 57 -4.645 1.757 -3.098 1.00 0.00 H new ATOM 763 N VAL A 58 -5.510 -1.454 0.762 1.00 0.00 N ATOM 764 CA VAL A 58 -5.364 -2.784 1.322 1.00 0.00 C ATOM 765 C VAL A 58 -5.331 -3.826 0.216 1.00 0.00 C ATOM 766 O VAL A 58 -6.184 -3.838 -0.669 1.00 0.00 O ATOM 767 CB VAL A 58 -6.492 -3.128 2.315 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.173 -2.565 3.694 1.00 0.00 C ATOM 769 CG2 VAL A 58 -7.840 -2.614 1.816 1.00 0.00 C ATOM 0 H VAL A 58 -6.459 -1.216 0.475 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.421 -2.794 1.868 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.560 -4.213 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.978 -2.816 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.238 -2.994 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.074 -1.481 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.617 -2.871 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.796 -1.531 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.071 -3.072 0.854 1.00 0.00 H new ATOM 779 N LYS A 59 -4.323 -4.675 0.255 1.00 0.00 N ATOM 780 CA LYS A 59 -4.193 -5.744 -0.717 1.00 0.00 C ATOM 781 C LYS A 59 -4.400 -7.088 -0.037 1.00 0.00 C ATOM 782 O LYS A 59 -4.181 -7.219 1.161 1.00 0.00 O ATOM 783 CB LYS A 59 -2.812 -5.702 -1.384 1.00 0.00 C ATOM 784 CG LYS A 59 -2.380 -4.310 -1.812 1.00 0.00 C ATOM 785 CD LYS A 59 -1.969 -4.278 -3.276 1.00 0.00 C ATOM 786 CE LYS A 59 -2.941 -3.456 -4.108 1.00 0.00 C ATOM 787 NZ LYS A 59 -2.418 -3.194 -5.475 1.00 0.00 N ATOM 0 H LYS A 59 -3.579 -4.645 0.952 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.953 -5.609 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.072 -6.105 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.821 -6.354 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.197 -3.608 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.546 -3.980 -1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.967 -3.859 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.925 -5.295 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.893 -3.982 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.137 -2.508 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.192 -2.862 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.676 -2.466 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.019 -4.070 -5.868 1.00 0.00 H new ATOM 801 N CYS A 60 -4.836 -8.072 -0.795 1.00 0.00 N ATOM 802 CA CYS A 60 -4.977 -9.423 -0.280 1.00 0.00 C ATOM 803 C CYS A 60 -3.962 -10.323 -0.958 1.00 0.00 C ATOM 804 O CYS A 60 -4.113 -10.663 -2.129 1.00 0.00 O ATOM 805 CB CYS A 60 -6.393 -9.946 -0.525 1.00 0.00 C ATOM 806 SG CYS A 60 -7.393 -10.120 0.986 1.00 0.00 S ATOM 0 H CYS A 60 -5.101 -7.964 -1.774 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.799 -9.417 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.905 -9.271 -1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.330 -10.915 -1.020 1.00 0.00 H new ATOM 811 N CYS A 61 -2.925 -10.702 -0.232 1.00 0.00 N ATOM 812 CA CYS A 61 -1.836 -11.453 -0.831 1.00 0.00 C ATOM 813 C CYS A 61 -1.637 -12.795 -0.139 1.00 0.00 C ATOM 814 O CYS A 61 -1.900 -12.948 1.056 1.00 0.00 O ATOM 815 CB CYS A 61 -0.538 -10.635 -0.792 1.00 0.00 C ATOM 816 SG CYS A 61 0.247 -10.390 -2.424 1.00 0.00 S ATOM 0 H CYS A 61 -2.814 -10.505 0.763 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.100 -11.650 -1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.750 -9.660 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.172 -11.133 -0.132 1.00 0.00 H new ATOM 821 N LYS A 62 -1.202 -13.766 -0.925 1.00 0.00 N ATOM 822 CA LYS A 62 -0.883 -15.093 -0.449 1.00 0.00 C ATOM 823 C LYS A 62 0.403 -15.557 -1.118 1.00 0.00 C ATOM 824 O LYS A 62 0.604 -15.320 -2.321 1.00 0.00 O ATOM 825 CB LYS A 62 -2.026 -16.063 -0.755 1.00 0.00 C ATOM 826 CG LYS A 62 -1.816 -17.456 -0.189 1.00 0.00 C ATOM 827 CD LYS A 62 -2.102 -18.527 -1.225 1.00 0.00 C ATOM 828 CE LYS A 62 -1.812 -19.915 -0.684 1.00 0.00 C ATOM 829 NZ LYS A 62 -3.031 -20.552 -0.124 1.00 0.00 N ATOM 0 H LYS A 62 -1.060 -13.648 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.746 -15.070 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.954 -15.654 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.150 -16.135 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.790 -17.555 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.466 -17.601 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.146 -18.466 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.496 -18.347 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.409 -20.539 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.047 -19.852 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.981 -21.581 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.095 -20.344 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.872 -20.177 -0.608 1.00 0.00 H new ATOM 843 N ASP A 63 1.231 -16.240 -0.329 1.00 0.00 N ATOM 844 CA ASP A 63 2.603 -16.614 -0.698 1.00 0.00 C ATOM 845 C ASP A 63 3.524 -15.424 -0.478 1.00 0.00 C ATOM 846 O ASP A 63 3.886 -14.706 -1.409 1.00 0.00 O ATOM 847 CB ASP A 63 2.717 -17.130 -2.137 1.00 0.00 C ATOM 848 CG ASP A 63 3.310 -18.522 -2.194 1.00 0.00 C ATOM 849 OD1 ASP A 63 4.541 -18.659 -2.046 1.00 0.00 O ATOM 850 OD2 ASP A 63 2.542 -19.490 -2.375 1.00 0.00 O ATOM 0 H ASP A 63 0.966 -16.557 0.603 1.00 0.00 H new ATOM 0 HA ASP A 63 2.903 -17.442 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.730 -17.137 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.337 -16.448 -2.719 1.00 0.00 H new ATOM 855 N ASP A 64 3.881 -15.216 0.779 1.00 0.00 N ATOM 856 CA ASP A 64 4.658 -14.054 1.185 1.00 0.00 C ATOM 857 C ASP A 64 6.141 -14.399 1.315 1.00 0.00 C ATOM 858 O ASP A 64 6.823 -14.636 0.316 1.00 0.00 O ATOM 859 CB ASP A 64 4.127 -13.489 2.513 1.00 0.00 C ATOM 860 CG ASP A 64 3.014 -14.325 3.123 1.00 0.00 C ATOM 861 OD1 ASP A 64 3.261 -15.507 3.446 1.00 0.00 O ATOM 862 OD2 ASP A 64 1.886 -13.812 3.284 1.00 0.00 O ATOM 0 H ASP A 64 3.642 -15.845 1.545 1.00 0.00 H new ATOM 0 HA ASP A 64 4.552 -13.294 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.950 -13.419 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.761 -12.476 2.348 1.00 0.00 H new ATOM 867 N VAL A 65 6.635 -14.432 2.547 1.00 0.00 N ATOM 868 CA VAL A 65 8.052 -14.680 2.795 1.00 0.00 C ATOM 869 C VAL A 65 8.272 -16.069 3.378 1.00 0.00 C ATOM 870 O VAL A 65 7.554 -16.499 4.283 1.00 0.00 O ATOM 871 CB VAL A 65 8.672 -13.638 3.759 1.00 0.00 C ATOM 872 CG1 VAL A 65 9.798 -12.874 3.075 1.00 0.00 C ATOM 873 CG2 VAL A 65 7.617 -12.675 4.293 1.00 0.00 C ATOM 0 H VAL A 65 6.077 -14.291 3.389 1.00 0.00 H new ATOM 0 HA VAL A 65 8.546 -14.599 1.827 1.00 0.00 H new ATOM 0 HB VAL A 65 9.087 -14.180 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.219 -12.147 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.575 -13.572 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.406 -12.355 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.087 -11.958 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.155 -12.143 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.854 -13.235 4.834 1.00 0.00 H new ATOM 883 N THR A 66 9.262 -16.768 2.845 1.00 0.00 N ATOM 884 CA THR A 66 9.647 -18.069 3.358 1.00 0.00 C ATOM 885 C THR A 66 10.552 -17.911 4.562 1.00 0.00 C ATOM 886 O THR A 66 10.247 -18.357 5.666 1.00 0.00 O ATOM 887 CB THR A 66 10.384 -18.870 2.275 1.00 0.00 C ATOM 888 OG1 THR A 66 10.786 -17.982 1.219 1.00 0.00 O ATOM 889 CG2 THR A 66 9.498 -19.967 1.715 1.00 0.00 C ATOM 0 H THR A 66 9.817 -16.450 2.050 1.00 0.00 H new ATOM 0 HA THR A 66 8.743 -18.603 3.652 1.00 0.00 H new ATOM 0 HB THR A 66 11.262 -19.336 2.721 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.258 -18.490 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.043 -20.520 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.209 -20.646 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.604 -19.524 1.275 1.00 0.00 H new ATOM 897 N ASN A 67 11.662 -17.258 4.324 1.00 0.00 N ATOM 898 CA ASN A 67 12.636 -16.967 5.366 1.00 0.00 C ATOM 899 C ASN A 67 12.734 -15.465 5.568 1.00 0.00 C ATOM 900 O ASN A 67 12.719 -14.702 4.600 1.00 0.00 O ATOM 901 CB ASN A 67 14.008 -17.533 4.988 1.00 0.00 C ATOM 902 CG ASN A 67 14.904 -17.770 6.190 1.00 0.00 C ATOM 903 OD1 ASN A 67 15.003 -16.936 7.088 1.00 0.00 O ATOM 904 ND2 ASN A 67 15.568 -18.914 6.208 1.00 0.00 N ATOM 0 H ASN A 67 11.924 -16.909 3.402 1.00 0.00 H new ATOM 0 HA ASN A 67 12.310 -17.436 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.872 -18.473 4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.503 -16.844 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.190 -19.130 6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.458 -19.580 5.443 1.00 0.00 H new ATOM 911 N THR A 68 12.834 -15.037 6.817 1.00 0.00 N ATOM 912 CA THR A 68 12.946 -13.624 7.131 1.00 0.00 C ATOM 913 C THR A 68 14.382 -13.130 6.960 1.00 0.00 C ATOM 914 O THR A 68 14.955 -12.515 7.859 1.00 0.00 O ATOM 915 CB THR A 68 12.473 -13.349 8.569 1.00 0.00 C ATOM 916 OG1 THR A 68 11.660 -14.445 9.025 1.00 0.00 O ATOM 917 CG2 THR A 68 11.680 -12.052 8.640 1.00 0.00 C ATOM 0 H THR A 68 12.840 -15.652 7.631 1.00 0.00 H new ATOM 0 HA THR A 68 12.308 -13.082 6.433 1.00 0.00 H new ATOM 0 HB THR A 68 13.348 -13.250 9.211 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.360 -14.271 9.942 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.356 -11.879 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.308 -11.223 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.807 -12.123 7.991 1.00 0.00 H new ATOM 925 N GLY A 69 14.958 -13.407 5.795 1.00 0.00 N ATOM 926 CA GLY A 69 16.305 -12.953 5.497 1.00 0.00 C ATOM 927 C GLY A 69 16.305 -11.580 4.863 1.00 0.00 C ATOM 928 O GLY A 69 17.030 -11.315 3.899 1.00 0.00 O ATOM 0 H GLY A 69 14.514 -13.941 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.893 -12.930 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.789 -13.663 4.827 1.00 0.00 H new ATOM 932 N ASN A 70 15.467 -10.708 5.402 1.00 0.00 N ATOM 933 CA ASN A 70 15.296 -9.362 4.884 1.00 0.00 C ATOM 934 C ASN A 70 14.963 -8.413 6.024 1.00 0.00 C ATOM 935 O ASN A 70 14.630 -8.852 7.128 1.00 0.00 O ATOM 936 CB ASN A 70 14.182 -9.321 3.830 1.00 0.00 C ATOM 937 CG ASN A 70 13.088 -10.353 4.070 1.00 0.00 C ATOM 938 OD1 ASN A 70 12.736 -11.098 3.029 1.00 0.00 O flip ATOM 939 ND2 ASN A 70 12.564 -10.486 5.176 1.00 0.00 N flip ATOM 0 H ASN A 70 14.885 -10.916 6.214 1.00 0.00 H new ATOM 0 HA ASN A 70 16.228 -9.051 4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.737 -8.326 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.617 -9.486 2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.859 -9.896 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.835 -11.186 5.314 1.00 0.00 H new ATOM 946 N SER A 71 15.078 -7.122 5.766 1.00 0.00 N ATOM 947 CA SER A 71 14.759 -6.114 6.760 1.00 0.00 C ATOM 948 C SER A 71 13.249 -5.981 6.920 1.00 0.00 C ATOM 949 O SER A 71 12.701 -6.176 8.008 1.00 0.00 O ATOM 950 CB SER A 71 15.360 -4.782 6.331 1.00 0.00 C ATOM 951 OG SER A 71 15.695 -4.818 4.952 1.00 0.00 O ATOM 0 H SER A 71 15.392 -6.746 4.871 1.00 0.00 H new ATOM 0 HA SER A 71 15.179 -6.412 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.650 -3.977 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.250 -4.568 6.924 1.00 0.00 H new ATOM 0 HG SER A 71 14.879 -4.929 4.420 1.00 0.00 H new ATOM 957 N PHE A 72 12.582 -5.661 5.821 1.00 0.00 N ATOM 958 CA PHE A 72 11.138 -5.507 5.815 1.00 0.00 C ATOM 959 C PHE A 72 10.480 -6.728 5.178 1.00 0.00 C ATOM 960 O PHE A 72 11.162 -7.581 4.606 1.00 0.00 O ATOM 961 CB PHE A 72 10.743 -4.221 5.072 1.00 0.00 C ATOM 962 CG PHE A 72 10.687 -4.363 3.577 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.808 -4.746 2.858 1.00 0.00 C ATOM 964 CD2 PHE A 72 9.511 -4.112 2.894 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.752 -4.883 1.486 1.00 0.00 C ATOM 966 CE2 PHE A 72 9.448 -4.250 1.523 1.00 0.00 C ATOM 967 CZ PHE A 72 10.570 -4.633 0.817 1.00 0.00 C ATOM 0 H PHE A 72 13.024 -5.502 4.916 1.00 0.00 H new ATOM 0 HA PHE A 72 10.787 -5.428 6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.767 -3.893 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.456 -3.436 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.735 -4.939 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.632 -3.804 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.631 -5.185 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.521 -4.058 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.524 -4.737 -0.257 1.00 0.00 H new ATOM 977 N LEU A 73 9.161 -6.807 5.276 1.00 0.00 N ATOM 978 CA LEU A 73 8.421 -7.938 4.736 1.00 0.00 C ATOM 979 C LEU A 73 8.415 -7.915 3.211 1.00 0.00 C ATOM 980 O LEU A 73 8.138 -6.887 2.595 1.00 0.00 O ATOM 981 CB LEU A 73 6.984 -7.926 5.262 1.00 0.00 C ATOM 982 CG LEU A 73 6.431 -9.290 5.669 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.883 -9.241 7.086 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.356 -9.736 4.693 1.00 0.00 C ATOM 0 H LEU A 73 8.580 -6.099 5.726 1.00 0.00 H new ATOM 0 HA LEU A 73 8.917 -8.852 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.935 -7.260 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.336 -7.503 4.494 1.00 0.00 H new ATOM 0 HG LEU A 73 7.243 -10.017 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.493 -10.221 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.680 -8.963 7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.082 -8.504 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.971 -10.710 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.543 -9.010 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.781 -9.809 3.692 1.00 0.00 H new ATOM 996 N ILE A 74 8.732 -9.050 2.610 1.00 0.00 N ATOM 997 CA ILE A 74 8.729 -9.174 1.159 1.00 0.00 C ATOM 998 C ILE A 74 7.710 -10.223 0.727 1.00 0.00 C ATOM 999 O ILE A 74 7.648 -11.310 1.298 1.00 0.00 O ATOM 1000 CB ILE A 74 10.129 -9.550 0.617 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.129 -8.427 0.920 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.071 -9.826 -0.885 1.00 0.00 C ATOM 1003 CD1 ILE A 74 12.469 -8.596 0.240 1.00 0.00 C ATOM 0 H ILE A 74 8.996 -9.902 3.105 1.00 0.00 H new ATOM 0 HA ILE A 74 8.456 -8.204 0.743 1.00 0.00 H new ATOM 0 HB ILE A 74 10.462 -10.460 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.695 -7.475 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.284 -8.374 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.066 -10.088 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.386 -10.652 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.720 -8.935 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.119 -7.762 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.927 -9.530 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.328 -8.618 -0.841 1.00 0.00 H new ATOM 1015 N ILE A 75 6.907 -9.890 -0.270 1.00 0.00 N ATOM 1016 CA ILE A 75 5.884 -10.799 -0.753 1.00 0.00 C ATOM 1017 C ILE A 75 6.330 -11.452 -2.059 1.00 0.00 C ATOM 1018 O ILE A 75 6.958 -10.810 -2.902 1.00 0.00 O ATOM 1019 CB ILE A 75 4.530 -10.084 -0.965 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.458 -8.810 -0.113 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.382 -11.015 -0.605 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.381 -7.843 -0.556 1.00 0.00 C ATOM 0 H ILE A 75 6.945 -8.996 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 75 5.744 -11.564 0.011 1.00 0.00 H new ATOM 0 HB ILE A 75 4.446 -9.808 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.280 -9.088 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.424 -8.305 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.434 -10.500 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.420 -11.901 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.468 -11.312 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.390 -6.967 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.569 -7.535 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.408 -8.330 -0.495 1.00 0.00 H new ATOM 1034 N ASN A 76 6.001 -12.725 -2.221 1.00 0.00 N ATOM 1035 CA ASN A 76 6.423 -13.490 -3.390 1.00 0.00 C ATOM 1036 C ASN A 76 5.419 -13.339 -4.524 1.00 0.00 C ATOM 1037 O ASN A 76 5.511 -14.028 -5.543 1.00 0.00 O ATOM 1038 CB ASN A 76 6.563 -14.971 -3.029 1.00 0.00 C ATOM 1039 CG ASN A 76 8.005 -15.427 -2.950 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.602 -15.828 -3.948 1.00 0.00 O ATOM 1041 ND2 ASN A 76 8.572 -15.375 -1.757 1.00 0.00 N ATOM 0 H ASN A 76 5.440 -13.255 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 76 7.388 -13.103 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.077 -15.153 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.038 -15.572 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.540 -15.674 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.042 -15.036 -0.955 1.00 0.00 H new ATOM 1048 N ALA A 77 4.464 -12.431 -4.329 1.00 0.00 N ATOM 1049 CA ALA A 77 3.378 -12.224 -5.276 1.00 0.00 C ATOM 1050 C ALA A 77 2.592 -13.519 -5.459 1.00 0.00 C ATOM 1051 O ALA A 77 2.121 -14.093 -4.477 1.00 0.00 O ATOM 1052 CB ALA A 77 3.902 -11.691 -6.606 1.00 0.00 C ATOM 0 H ALA A 77 4.424 -11.822 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 77 2.702 -11.469 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.069 -11.546 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.408 -10.739 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.605 -12.406 -7.033 1.00 0.00 H new ATOM 1058 N ALA A 78 2.467 -13.973 -6.708 1.00 0.00 N ATOM 1059 CA ALA A 78 1.780 -15.227 -7.039 1.00 0.00 C ATOM 1060 C ALA A 78 0.277 -15.116 -6.805 1.00 0.00 C ATOM 1061 O ALA A 78 -0.507 -15.146 -7.756 1.00 0.00 O ATOM 1062 CB ALA A 78 2.373 -16.407 -6.269 1.00 0.00 C ATOM 0 H ALA A 78 2.839 -13.482 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 78 1.936 -15.414 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.842 -17.320 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.428 -16.513 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.273 -16.230 -5.198 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.131 -14.980 -5.552 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.538 -14.828 -5.233 1.00 0.00 C ATOM 1070 C ASN A 79 -1.775 -13.468 -4.607 1.00 0.00 C ATOM 1071 O ASN A 79 -1.464 -13.257 -3.448 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.008 -15.929 -4.277 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.369 -17.274 -4.556 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -0.216 -17.524 -3.952 1.00 0.00 O flip ATOM 1075 ND2 ASN A 79 -1.907 -18.084 -5.311 1.00 0.00 N flip ATOM 0 H ASN A 79 0.492 -14.972 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.111 -14.911 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.783 -15.632 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.091 -16.026 -4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.795 -17.854 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.465 -18.985 -5.491 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.299 -12.536 -5.374 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.617 -11.224 -4.834 1.00 0.00 C ATOM 1084 C CYS A 80 -3.834 -10.641 -5.529 1.00 0.00 C ATOM 1085 O CYS A 80 -3.925 -10.651 -6.756 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.423 -10.272 -4.963 1.00 0.00 C ATOM 1087 SG CYS A 80 -1.098 -9.278 -3.466 1.00 0.00 S ATOM 0 H CYS A 80 -2.513 -12.656 -6.364 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.844 -11.343 -3.775 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.532 -10.854 -5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.598 -9.599 -5.802 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.778 -10.164 -4.734 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.983 -9.538 -5.251 1.00 0.00 C ATOM 1094 C VAL A 81 -6.291 -8.271 -4.465 1.00 0.00 C ATOM 1095 O VAL A 81 -5.807 -8.095 -3.345 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.205 -10.477 -5.180 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.299 -11.335 -6.432 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -7.147 -11.348 -3.935 1.00 0.00 C ATOM 0 H VAL A 81 -4.731 -10.200 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.795 -9.302 -6.298 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.102 -9.860 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.168 -11.989 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.400 -10.692 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.397 -11.939 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.019 -12.001 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.241 -11.953 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.140 -10.715 -3.048 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.082 -7.388 -5.050 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.478 -6.162 -4.380 1.00 0.00 C ATOM 1110 C ALA A 82 -8.945 -5.874 -4.645 1.00 0.00 C ATOM 1111 O ALA A 82 -9.756 -5.970 -3.699 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.610 -4.998 -4.838 1.00 0.00 C ATOM 1113 OXT ALA A 82 -9.289 -5.591 -5.810 1.00 0.00 O ATOM 0 H ALA A 82 -7.463 -7.498 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.337 -6.288 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.922 -4.088 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.567 -5.208 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.720 -4.864 -5.914 1.00 0.00 H new TER 1119 ALA A 82