USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 72 ASN : amide:sc= 2.75 K(o=3.6,f=-5.4!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.872 K(o=3.6,f=2) USER MOD Set 2.1: A 42 HIS : no HE2:sc= 0.665 K(o=2.6,f=-6.4!) USER MOD Set 2.2: A 45 ASN : amide:sc= 1.94 K(o=2.6,f=-9!) USER MOD Set 3.1: A 20 ASN : amide:sc= 1.93 K(o=2.7,f=0.65) USER MOD Set 3.2: A 26 SER OG : rot 61:sc= 0.755 USER MOD Set 4.1: A 13 THR OG1 : rot -140:sc= 0.751 USER MOD Set 4.2: A 69 LYS NZ :NH3+ -154:sc= 1.05! (180deg=-0.744) USER MOD Single : A 1 SER N :NH3+ 179:sc= 1.85 (180deg=1.78) USER MOD Single : A 1 SER OG : rot 72:sc= 1.19 USER MOD Single : A 5 ASN : amide:sc= 0.22 K(o=0.22,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= 0.664 (180deg=-2.67!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0.0462 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.002) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 1.15 (180deg=1.08) USER MOD Single : A 41 GLN : amide:sc= 2.09 K(o=2.1,f=-5.7!) USER MOD Single : A 47 GLN : amide:sc= -0.304 K(o=-0.3,f=-6.4!) USER MOD Single : A 49 MET CE :methyl 170:sc=-0.00538 (180deg=-0.158) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 57 THR OG1 : rot 113:sc= 0.542 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 3.11 (180deg=2.54) USER MOD Single : A 64 GLN : amide:sc= 0.828 K(o=0.83,f=-0.007) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 83 LYS NZ :NH3+ 151:sc= 0.597! (180deg=-0.177!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.633 9.739 11.354 1.00 0.00 N ATOM 2 CA SER A 1 -0.476 9.549 12.303 1.00 0.00 C ATOM 3 C SER A 1 -1.090 8.165 12.072 1.00 0.00 C ATOM 4 O SER A 1 -0.373 7.287 11.607 1.00 0.00 O ATOM 5 CB SER A 1 -1.478 10.705 12.162 1.00 0.00 C ATOM 6 OG SER A 1 -0.828 11.939 12.403 1.00 0.00 O ATOM 0 H1 SER A 1 1.048 10.683 11.489 1.00 0.00 H new ATOM 0 H2 SER A 1 1.360 9.014 11.520 1.00 0.00 H new ATOM 0 H3 SER A 1 0.276 9.654 10.381 1.00 0.00 H new ATOM 0 HA SER A 1 -0.127 9.575 13.335 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.912 10.702 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.300 10.573 12.866 1.00 0.00 H new ATOM 0 HG SER A 1 -0.231 12.146 11.654 1.00 0.00 H new ATOM 14 N ALA A 2 -2.385 7.951 12.337 1.00 0.00 N ATOM 15 CA ALA A 2 -3.109 6.776 11.861 1.00 0.00 C ATOM 16 C ALA A 2 -4.604 7.115 11.811 1.00 0.00 C ATOM 17 O ALA A 2 -5.184 7.372 12.864 1.00 0.00 O ATOM 18 CB ALA A 2 -2.835 5.546 12.735 1.00 0.00 C ATOM 0 H ALA A 2 -2.957 8.591 12.888 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.761 6.517 10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.392 4.693 12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.769 5.320 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.149 5.750 13.759 1.00 0.00 H new ATOM 24 N PRO A 3 -5.221 7.200 10.621 1.00 0.00 N ATOM 25 CA PRO A 3 -6.626 7.553 10.493 1.00 0.00 C ATOM 26 C PRO A 3 -7.536 6.429 10.971 1.00 0.00 C ATOM 27 O PRO A 3 -7.127 5.275 11.068 1.00 0.00 O ATOM 28 CB PRO A 3 -6.863 7.858 9.009 1.00 0.00 C ATOM 29 CG PRO A 3 -5.678 7.226 8.273 1.00 0.00 C ATOM 30 CD PRO A 3 -4.586 7.043 9.325 1.00 0.00 C ATOM 0 HA PRO A 3 -6.862 8.415 11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.808 7.437 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.909 8.932 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.958 6.271 7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.335 7.867 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.125 6.059 9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.793 7.779 9.191 1.00 0.00 H new ATOM 38 N ALA A 4 -8.801 6.773 11.225 1.00 0.00 N ATOM 39 CA ALA A 4 -9.821 5.775 11.495 1.00 0.00 C ATOM 40 C ALA A 4 -9.965 4.869 10.272 1.00 0.00 C ATOM 41 O ALA A 4 -9.909 3.646 10.364 1.00 0.00 O ATOM 42 CB ALA A 4 -11.145 6.463 11.841 1.00 0.00 C ATOM 0 H ALA A 4 -9.136 7.736 11.248 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.533 5.163 12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.905 5.708 12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.011 7.087 12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.462 7.083 11.003 1.00 0.00 H new ATOM 48 N ASN A 5 -10.070 5.489 9.095 1.00 0.00 N ATOM 49 CA ASN A 5 -10.106 4.825 7.795 1.00 0.00 C ATOM 50 C ASN A 5 -8.686 4.486 7.352 1.00 0.00 C ATOM 51 O ASN A 5 -8.306 4.725 6.211 1.00 0.00 O ATOM 52 CB ASN A 5 -10.826 5.691 6.744 1.00 0.00 C ATOM 53 CG ASN A 5 -10.478 7.174 6.845 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.749 7.824 7.853 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.836 7.711 5.822 1.00 0.00 N ATOM 0 H ASN A 5 -10.135 6.504 9.021 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.674 3.900 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.568 5.331 5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.903 5.569 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.551 8.690 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.625 7.146 4.999 1.00 0.00 H new ATOM 62 N ALA A 6 -7.898 3.902 8.246 1.00 0.00 N ATOM 63 CA ALA A 6 -6.627 3.297 7.892 1.00 0.00 C ATOM 64 C ALA A 6 -6.873 1.868 7.432 1.00 0.00 C ATOM 65 O ALA A 6 -7.646 1.145 8.058 1.00 0.00 O ATOM 66 CB ALA A 6 -5.714 3.308 9.112 1.00 0.00 C ATOM 0 H ALA A 6 -8.126 3.836 9.238 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.151 3.856 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.757 2.855 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.553 4.336 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.178 2.741 9.919 1.00 0.00 H new ATOM 72 N VAL A 7 -6.213 1.443 6.354 1.00 0.00 N ATOM 73 CA VAL A 7 -6.229 0.037 5.993 1.00 0.00 C ATOM 74 C VAL A 7 -5.531 -0.761 7.092 1.00 0.00 C ATOM 75 O VAL A 7 -4.368 -0.514 7.409 1.00 0.00 O ATOM 76 CB VAL A 7 -5.588 -0.197 4.622 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.513 -1.693 4.296 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.441 0.480 3.545 1.00 0.00 C ATOM 0 H VAL A 7 -5.673 2.043 5.731 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.261 -0.304 5.908 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.580 0.218 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.054 -1.829 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.914 -2.201 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.518 -2.114 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.989 0.316 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.445 0.056 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.497 1.550 3.745 1.00 0.00 H new ATOM 88 N ALA A 8 -6.263 -1.724 7.649 1.00 0.00 N ATOM 89 CA ALA A 8 -5.779 -2.640 8.663 1.00 0.00 C ATOM 90 C ALA A 8 -5.103 -3.826 7.977 1.00 0.00 C ATOM 91 O ALA A 8 -5.540 -4.245 6.908 1.00 0.00 O ATOM 92 CB ALA A 8 -6.958 -3.105 9.521 1.00 0.00 C ATOM 0 H ALA A 8 -7.237 -1.888 7.395 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.052 -2.148 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.601 -3.795 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.423 -2.242 9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.690 -3.610 8.891 1.00 0.00 H new ATOM 98 N ALA A 9 -4.054 -4.388 8.581 1.00 0.00 N ATOM 99 CA ALA A 9 -3.374 -5.557 8.030 1.00 0.00 C ATOM 100 C ALA A 9 -4.368 -6.704 7.799 1.00 0.00 C ATOM 101 O ALA A 9 -4.309 -7.400 6.788 1.00 0.00 O ATOM 102 CB ALA A 9 -2.253 -5.987 8.980 1.00 0.00 C ATOM 0 H ALA A 9 -3.657 -4.048 9.457 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.940 -5.298 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.744 -6.860 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.540 -5.171 9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.676 -6.237 9.953 1.00 0.00 H new ATOM 108 N ASP A 10 -5.286 -6.875 8.749 1.00 0.00 N ATOM 109 CA ASP A 10 -6.332 -7.884 8.776 1.00 0.00 C ATOM 110 C ASP A 10 -7.609 -7.435 8.049 1.00 0.00 C ATOM 111 O ASP A 10 -8.608 -8.151 8.098 1.00 0.00 O ATOM 112 CB ASP A 10 -6.631 -8.213 10.247 1.00 0.00 C ATOM 113 CG ASP A 10 -7.056 -6.976 11.032 1.00 0.00 C ATOM 114 OD1 ASP A 10 -6.231 -6.031 11.058 1.00 0.00 O ATOM 115 OD2 ASP A 10 -8.177 -6.989 11.580 1.00 0.00 O ATOM 0 H ASP A 10 -5.317 -6.272 9.571 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.982 -8.768 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.420 -8.964 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.745 -8.649 10.709 1.00 0.00 H new ATOM 120 N ASP A 11 -7.602 -6.289 7.352 1.00 0.00 N ATOM 121 CA ASP A 11 -8.727 -5.909 6.500 1.00 0.00 C ATOM 122 C ASP A 11 -8.962 -7.022 5.472 1.00 0.00 C ATOM 123 O ASP A 11 -8.023 -7.668 5.010 1.00 0.00 O ATOM 124 CB ASP A 11 -8.448 -4.543 5.854 1.00 0.00 C ATOM 125 CG ASP A 11 -9.455 -4.045 4.831 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.472 -4.712 4.538 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.198 -2.954 4.281 1.00 0.00 O ATOM 0 H ASP A 11 -6.834 -5.617 7.364 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.642 -5.798 7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.377 -3.801 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.471 -4.589 5.373 1.00 0.00 H new ATOM 132 N ALA A 12 -10.215 -7.234 5.079 1.00 0.00 N ATOM 133 CA ALA A 12 -10.561 -8.243 4.092 1.00 0.00 C ATOM 134 C ALA A 12 -9.952 -7.832 2.756 1.00 0.00 C ATOM 135 O ALA A 12 -9.371 -8.643 2.032 1.00 0.00 O ATOM 136 CB ALA A 12 -12.083 -8.372 3.998 1.00 0.00 C ATOM 0 H ALA A 12 -11.014 -6.711 5.437 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.165 -9.217 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.339 -9.129 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.484 -8.664 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.512 -7.415 3.701 1.00 0.00 H new ATOM 142 N THR A 13 -10.051 -6.537 2.453 1.00 0.00 N ATOM 143 CA THR A 13 -9.435 -5.968 1.276 1.00 0.00 C ATOM 144 C THR A 13 -7.912 -6.135 1.369 1.00 0.00 C ATOM 145 O THR A 13 -7.272 -6.525 0.394 1.00 0.00 O ATOM 146 CB THR A 13 -9.871 -4.504 1.179 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.270 -4.386 1.391 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.534 -3.900 -0.186 1.00 0.00 C ATOM 0 H THR A 13 -10.562 -5.862 3.022 1.00 0.00 H new ATOM 0 HA THR A 13 -9.750 -6.477 0.365 1.00 0.00 H new ATOM 0 HB THR A 13 -9.326 -3.960 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.640 -3.723 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.860 -2.860 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.457 -3.948 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.045 -4.461 -0.968 1.00 0.00 H new ATOM 156 N ALA A 14 -7.323 -5.880 2.544 1.00 0.00 N ATOM 157 CA ALA A 14 -5.886 -6.051 2.717 1.00 0.00 C ATOM 158 C ALA A 14 -5.483 -7.494 2.462 1.00 0.00 C ATOM 159 O ALA A 14 -4.522 -7.736 1.748 1.00 0.00 O ATOM 160 CB ALA A 14 -5.418 -5.614 4.104 1.00 0.00 C ATOM 0 H ALA A 14 -7.817 -5.559 3.376 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.398 -5.408 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.341 -5.759 4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.654 -4.560 4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.924 -6.210 4.863 1.00 0.00 H new ATOM 166 N ILE A 15 -6.228 -8.449 3.009 1.00 0.00 N ATOM 167 CA ILE A 15 -5.992 -9.865 2.809 1.00 0.00 C ATOM 168 C ILE A 15 -6.013 -10.163 1.308 1.00 0.00 C ATOM 169 O ILE A 15 -5.052 -10.713 0.776 1.00 0.00 O ATOM 170 CB ILE A 15 -7.005 -10.665 3.640 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.527 -10.619 5.101 1.00 0.00 C ATOM 172 CG2 ILE A 15 -7.141 -12.113 3.149 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.612 -11.040 6.087 1.00 0.00 C ATOM 0 H ILE A 15 -7.026 -8.252 3.614 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.008 -10.172 3.164 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.997 -10.224 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.662 -11.272 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.197 -9.608 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.868 -12.640 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.476 -12.116 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.175 -12.613 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.220 -10.989 7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.468 -10.371 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.925 -12.061 5.870 1.00 0.00 H new ATOM 185 N ALA A 16 -7.078 -9.751 0.612 1.00 0.00 N ATOM 186 CA ALA A 16 -7.193 -9.933 -0.831 1.00 0.00 C ATOM 187 C ALA A 16 -5.996 -9.338 -1.590 1.00 0.00 C ATOM 188 O ALA A 16 -5.507 -9.933 -2.547 1.00 0.00 O ATOM 189 CB ALA A 16 -8.509 -9.325 -1.321 1.00 0.00 C ATOM 0 H ALA A 16 -7.880 -9.284 1.035 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.190 -11.003 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.594 -9.462 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.345 -9.819 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.527 -8.260 -1.088 1.00 0.00 H new ATOM 195 N LEU A 17 -5.530 -8.163 -1.165 1.00 0.00 N ATOM 196 CA LEU A 17 -4.426 -7.441 -1.799 1.00 0.00 C ATOM 197 C LEU A 17 -3.070 -7.884 -1.252 1.00 0.00 C ATOM 198 O LEU A 17 -2.039 -7.540 -1.821 1.00 0.00 O ATOM 199 CB LEU A 17 -4.692 -5.932 -1.724 1.00 0.00 C ATOM 200 CG LEU A 17 -5.959 -5.521 -2.503 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.175 -4.014 -2.348 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.878 -5.850 -4.000 1.00 0.00 C ATOM 0 H LEU A 17 -5.916 -7.677 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.375 -7.694 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.798 -5.635 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.832 -5.394 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.788 -6.092 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.069 -3.716 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.299 -3.771 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.312 -3.480 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.799 -5.537 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.033 -5.323 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.745 -6.924 -4.130 1.00 0.00 H new ATOM 214 N LYS A 18 -3.052 -8.697 -0.194 1.00 0.00 N ATOM 215 CA LYS A 18 -1.857 -9.072 0.538 1.00 0.00 C ATOM 216 C LYS A 18 -1.108 -7.809 0.968 1.00 0.00 C ATOM 217 O LYS A 18 0.114 -7.721 0.857 1.00 0.00 O ATOM 218 CB LYS A 18 -1.028 -10.070 -0.279 1.00 0.00 C ATOM 219 CG LYS A 18 -1.963 -11.093 -0.954 1.00 0.00 C ATOM 220 CD LYS A 18 -1.222 -12.359 -1.397 1.00 0.00 C ATOM 221 CE LYS A 18 -0.931 -13.290 -0.211 1.00 0.00 C ATOM 222 NZ LYS A 18 0.056 -14.323 -0.570 1.00 0.00 N ATOM 0 H LYS A 18 -3.899 -9.122 0.183 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.108 -9.599 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.446 -9.542 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.318 -10.584 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.760 -11.365 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.437 -10.631 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.819 -12.890 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.285 -12.082 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.559 -12.705 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.856 -13.766 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.531 -14.663 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.427 -15.118 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.761 -13.919 -1.219 1.00 0.00 H new ATOM 236 N TYR A 19 -1.873 -6.820 1.439 1.00 0.00 N ATOM 237 CA TYR A 19 -1.340 -5.543 1.864 1.00 0.00 C ATOM 238 C TYR A 19 -0.666 -5.692 3.221 1.00 0.00 C ATOM 239 O TYR A 19 -1.226 -6.283 4.143 1.00 0.00 O ATOM 240 CB TYR A 19 -2.415 -4.451 1.890 1.00 0.00 C ATOM 241 CG TYR A 19 -2.064 -3.214 2.708 1.00 0.00 C ATOM 242 CD1 TYR A 19 -1.320 -2.160 2.143 1.00 0.00 C ATOM 243 CD2 TYR A 19 -2.455 -3.132 4.060 1.00 0.00 C ATOM 244 CE1 TYR A 19 -1.048 -1.005 2.903 1.00 0.00 C ATOM 245 CE2 TYR A 19 -2.217 -1.961 4.800 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.560 -0.875 4.201 1.00 0.00 C ATOM 247 OH TYR A 19 -1.449 0.317 4.860 1.00 0.00 O ATOM 0 H TYR A 19 -2.886 -6.894 1.533 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.595 -5.225 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.622 -4.143 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.336 -4.879 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.958 -2.237 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.941 -3.974 4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.442 -0.216 2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.539 -1.897 5.829 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.856 0.239 5.748 1.00 0.00 H new ATOM 257 N ASN A 20 0.516 -5.099 3.345 1.00 0.00 N ATOM 258 CA ASN A 20 1.251 -4.951 4.579 1.00 0.00 C ATOM 259 C ASN A 20 1.565 -3.477 4.708 1.00 0.00 C ATOM 260 O ASN A 20 2.222 -2.913 3.834 1.00 0.00 O ATOM 261 CB ASN A 20 2.553 -5.730 4.462 1.00 0.00 C ATOM 262 CG ASN A 20 2.396 -7.164 4.920 1.00 0.00 C ATOM 263 OD1 ASN A 20 2.294 -8.071 4.099 1.00 0.00 O ATOM 264 ND2 ASN A 20 2.414 -7.373 6.231 1.00 0.00 N ATOM 0 H ASN A 20 1.003 -4.692 2.547 1.00 0.00 H new ATOM 0 HA ASN A 20 0.688 -5.317 5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.893 -5.715 3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.323 -5.241 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.341 -8.322 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.501 -6.584 6.872 1.00 0.00 H new ATOM 271 N GLN A 21 1.113 -2.858 5.796 1.00 0.00 N ATOM 272 CA GLN A 21 1.568 -1.531 6.169 1.00 0.00 C ATOM 273 C GLN A 21 3.044 -1.640 6.578 1.00 0.00 C ATOM 274 O GLN A 21 3.896 -0.865 6.147 1.00 0.00 O ATOM 275 CB GLN A 21 0.644 -1.003 7.278 1.00 0.00 C ATOM 276 CG GLN A 21 0.667 0.523 7.393 1.00 0.00 C ATOM 277 CD GLN A 21 1.669 1.040 8.417 1.00 0.00 C ATOM 278 OE1 GLN A 21 2.821 1.299 8.096 1.00 0.00 O ATOM 279 NE2 GLN A 21 1.223 1.214 9.656 1.00 0.00 N ATOM 0 H GLN A 21 0.428 -3.261 6.435 1.00 0.00 H new ATOM 0 HA GLN A 21 1.516 -0.813 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.376 -1.333 7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.942 -1.439 8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.903 0.949 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.329 0.874 7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.256 0.987 9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.848 1.575 10.377 1.00 0.00 H new ATOM 288 N ASP A 22 3.356 -2.687 7.343 1.00 0.00 N ATOM 289 CA ASP A 22 4.687 -3.125 7.718 1.00 0.00 C ATOM 290 C ASP A 22 5.364 -3.827 6.535 1.00 0.00 C ATOM 291 O ASP A 22 5.721 -5.003 6.605 1.00 0.00 O ATOM 292 CB ASP A 22 4.546 -4.060 8.930 1.00 0.00 C ATOM 293 CG ASP A 22 3.692 -5.296 8.645 1.00 0.00 C ATOM 294 OD1 ASP A 22 2.743 -5.197 7.830 1.00 0.00 O ATOM 295 OD2 ASP A 22 3.987 -6.330 9.278 1.00 0.00 O ATOM 0 H ASP A 22 2.632 -3.286 7.740 1.00 0.00 H new ATOM 0 HA ASP A 22 5.317 -2.277 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.538 -4.378 9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.105 -3.506 9.758 1.00 0.00 H new ATOM 300 N ALA A 23 5.559 -3.085 5.440 1.00 0.00 N ATOM 301 CA ALA A 23 6.072 -3.594 4.171 1.00 0.00 C ATOM 302 C ALA A 23 7.288 -4.516 4.318 1.00 0.00 C ATOM 303 O ALA A 23 7.397 -5.497 3.589 1.00 0.00 O ATOM 304 CB ALA A 23 6.389 -2.427 3.238 1.00 0.00 C ATOM 0 H ALA A 23 5.357 -2.085 5.415 1.00 0.00 H new ATOM 0 HA ALA A 23 5.285 -4.214 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.772 -2.811 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.482 -1.850 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.140 -1.786 3.700 1.00 0.00 H new ATOM 310 N THR A 24 8.189 -4.227 5.259 1.00 0.00 N ATOM 311 CA THR A 24 9.361 -5.040 5.550 1.00 0.00 C ATOM 312 C THR A 24 9.020 -6.515 5.804 1.00 0.00 C ATOM 313 O THR A 24 9.795 -7.388 5.424 1.00 0.00 O ATOM 314 CB THR A 24 10.080 -4.423 6.756 1.00 0.00 C ATOM 315 OG1 THR A 24 9.115 -3.983 7.695 1.00 0.00 O ATOM 316 CG2 THR A 24 10.921 -3.218 6.327 1.00 0.00 C ATOM 0 H THR A 24 8.118 -3.400 5.852 1.00 0.00 H new ATOM 0 HA THR A 24 10.011 -5.040 4.675 1.00 0.00 H new ATOM 0 HB THR A 24 10.732 -5.178 7.194 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.568 -3.589 8.469 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.422 -2.796 7.198 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.666 -3.536 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.274 -2.464 5.879 1.00 0.00 H new ATOM 324 N LYS A 25 7.888 -6.813 6.454 1.00 0.00 N ATOM 325 CA LYS A 25 7.476 -8.191 6.697 1.00 0.00 C ATOM 326 C LYS A 25 6.679 -8.772 5.525 1.00 0.00 C ATOM 327 O LYS A 25 6.290 -9.937 5.575 1.00 0.00 O ATOM 328 CB LYS A 25 6.651 -8.275 7.986 1.00 0.00 C ATOM 329 CG LYS A 25 7.406 -7.738 9.211 1.00 0.00 C ATOM 330 CD LYS A 25 7.273 -8.656 10.439 1.00 0.00 C ATOM 331 CE LYS A 25 5.831 -8.982 10.861 1.00 0.00 C ATOM 332 NZ LYS A 25 5.028 -7.771 11.113 1.00 0.00 N ATOM 0 H LYS A 25 7.243 -6.112 6.820 1.00 0.00 H new ATOM 0 HA LYS A 25 8.382 -8.787 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.727 -7.711 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.369 -9.313 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.461 -7.623 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.027 -6.747 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.794 -9.591 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.783 -8.187 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.353 -9.575 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.850 -9.596 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.092 -8.044 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.510 -7.174 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.914 -7.239 10.227 1.00 0.00 H new ATOM 346 N SER A 26 6.382 -7.970 4.500 1.00 0.00 N ATOM 347 CA SER A 26 5.493 -8.384 3.432 1.00 0.00 C ATOM 348 C SER A 26 6.109 -9.422 2.502 1.00 0.00 C ATOM 349 O SER A 26 7.312 -9.683 2.514 1.00 0.00 O ATOM 350 CB SER A 26 5.066 -7.159 2.625 1.00 0.00 C ATOM 351 OG SER A 26 3.910 -7.466 1.869 1.00 0.00 O ATOM 0 H SER A 26 6.751 -7.025 4.394 1.00 0.00 H new ATOM 0 HA SER A 26 4.631 -8.858 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.863 -6.323 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.874 -6.848 1.962 1.00 0.00 H new ATOM 0 HG SER A 26 3.181 -7.719 2.474 1.00 0.00 H new ATOM 357 N GLU A 27 5.263 -9.934 1.608 1.00 0.00 N ATOM 358 CA GLU A 27 5.659 -10.847 0.556 1.00 0.00 C ATOM 359 C GLU A 27 6.500 -10.153 -0.510 1.00 0.00 C ATOM 360 O GLU A 27 6.972 -10.831 -1.411 1.00 0.00 O ATOM 361 CB GLU A 27 4.424 -11.480 -0.098 1.00 0.00 C ATOM 362 CG GLU A 27 3.530 -12.173 0.935 1.00 0.00 C ATOM 363 CD GLU A 27 2.545 -13.131 0.292 1.00 0.00 C ATOM 364 OE1 GLU A 27 2.226 -12.962 -0.907 1.00 0.00 O ATOM 365 OE2 GLU A 27 2.029 -14.025 1.000 1.00 0.00 O ATOM 0 H GLU A 27 4.266 -9.717 1.602 1.00 0.00 H new ATOM 0 HA GLU A 27 6.268 -11.625 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.852 -10.711 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.740 -12.203 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.153 -12.718 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.983 -11.420 1.503 1.00 0.00 H new ATOM 372 N ARG A 28 6.688 -8.829 -0.459 1.00 0.00 N ATOM 373 CA ARG A 28 7.341 -8.089 -1.526 1.00 0.00 C ATOM 374 C ARG A 28 8.681 -8.708 -1.928 1.00 0.00 C ATOM 375 O ARG A 28 8.939 -8.900 -3.111 1.00 0.00 O ATOM 376 CB ARG A 28 7.424 -6.603 -1.164 1.00 0.00 C ATOM 377 CG ARG A 28 8.216 -6.270 0.098 1.00 0.00 C ATOM 378 CD ARG A 28 8.265 -4.749 0.279 1.00 0.00 C ATOM 379 NE ARG A 28 9.205 -4.381 1.352 1.00 0.00 N ATOM 380 CZ ARG A 28 9.608 -3.135 1.638 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.195 -2.092 0.920 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.503 -2.910 2.599 1.00 0.00 N ATOM 0 H ARG A 28 6.390 -8.249 0.325 1.00 0.00 H new ATOM 0 HA ARG A 28 6.730 -8.161 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.871 -6.069 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.410 -6.220 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.751 -6.736 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.227 -6.672 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.569 -4.276 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.270 -4.374 0.517 1.00 0.00 H new ATOM 0 HE ARG A 28 9.580 -5.137 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.559 -2.233 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.514 -1.152 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.891 -3.691 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.800 -1.957 2.806 1.00 0.00 H new ATOM 396 N VAL A 29 9.503 -9.073 -0.944 1.00 0.00 N ATOM 397 CA VAL A 29 10.763 -9.783 -1.140 1.00 0.00 C ATOM 398 C VAL A 29 10.556 -11.106 -1.886 1.00 0.00 C ATOM 399 O VAL A 29 11.312 -11.428 -2.798 1.00 0.00 O ATOM 400 CB VAL A 29 11.448 -9.937 0.231 1.00 0.00 C ATOM 401 CG1 VAL A 29 12.062 -11.315 0.495 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.527 -8.864 0.418 1.00 0.00 C ATOM 0 H VAL A 29 9.304 -8.877 0.037 1.00 0.00 H new ATOM 0 HA VAL A 29 11.428 -9.210 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 29 10.644 -9.815 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.520 -11.326 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.283 -12.076 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.821 -11.526 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.000 -8.989 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.278 -8.963 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.071 -7.876 0.360 1.00 0.00 H new ATOM 412 N ALA A 30 9.543 -11.876 -1.490 1.00 0.00 N ATOM 413 CA ALA A 30 9.262 -13.186 -2.067 1.00 0.00 C ATOM 414 C ALA A 30 8.758 -13.046 -3.506 1.00 0.00 C ATOM 415 O ALA A 30 9.226 -13.729 -4.413 1.00 0.00 O ATOM 416 CB ALA A 30 8.245 -13.924 -1.187 1.00 0.00 C ATOM 0 H ALA A 30 8.891 -11.604 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 30 10.181 -13.771 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.034 -14.903 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.654 -14.049 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.323 -13.345 -1.133 1.00 0.00 H new ATOM 422 N ALA A 31 7.779 -12.163 -3.699 1.00 0.00 N ATOM 423 CA ALA A 31 7.125 -11.895 -4.967 1.00 0.00 C ATOM 424 C ALA A 31 8.093 -11.238 -5.955 1.00 0.00 C ATOM 425 O ALA A 31 8.061 -11.547 -7.143 1.00 0.00 O ATOM 426 CB ALA A 31 5.905 -11.004 -4.705 1.00 0.00 C ATOM 0 H ALA A 31 7.408 -11.593 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 31 6.799 -12.832 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.400 -10.792 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.217 -11.517 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.229 -10.069 -4.248 1.00 0.00 H new ATOM 432 N ALA A 32 8.919 -10.311 -5.457 1.00 0.00 N ATOM 433 CA ALA A 32 9.900 -9.541 -6.212 1.00 0.00 C ATOM 434 C ALA A 32 9.325 -9.038 -7.538 1.00 0.00 C ATOM 435 O ALA A 32 9.872 -9.300 -8.608 1.00 0.00 O ATOM 436 CB ALA A 32 11.187 -10.354 -6.389 1.00 0.00 C ATOM 0 H ALA A 32 8.917 -10.069 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 32 10.156 -8.647 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.912 -9.769 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.601 -10.598 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.964 -11.275 -6.928 1.00 0.00 H new ATOM 442 N ARG A 33 8.209 -8.305 -7.461 1.00 0.00 N ATOM 443 CA ARG A 33 7.562 -7.752 -8.645 1.00 0.00 C ATOM 444 C ARG A 33 8.565 -6.898 -9.428 1.00 0.00 C ATOM 445 O ARG A 33 9.337 -6.173 -8.805 1.00 0.00 O ATOM 446 CB ARG A 33 6.328 -6.950 -8.256 1.00 0.00 C ATOM 447 CG ARG A 33 5.233 -7.978 -7.997 1.00 0.00 C ATOM 448 CD ARG A 33 3.998 -7.323 -7.415 1.00 0.00 C ATOM 449 NE ARG A 33 3.430 -6.287 -8.292 1.00 0.00 N ATOM 450 CZ ARG A 33 2.559 -6.463 -9.296 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.170 -7.694 -9.639 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.098 -5.396 -9.956 1.00 0.00 N ATOM 0 H ARG A 33 7.737 -8.083 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 33 7.230 -8.567 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.517 -6.347 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.040 -6.263 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.976 -8.483 -8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.601 -8.741 -7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.243 -8.086 -7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.249 -6.879 -6.452 1.00 0.00 H new ATOM 0 HE ARG A 33 3.732 -5.329 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.536 -8.503 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.507 -7.825 -10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.409 -4.461 -9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.435 -5.517 -10.722 1.00 0.00 H new ATOM 466 N PRO A 34 8.588 -6.968 -10.766 1.00 0.00 N ATOM 467 CA PRO A 34 9.542 -6.212 -11.556 1.00 0.00 C ATOM 468 C PRO A 34 9.283 -4.709 -11.416 1.00 0.00 C ATOM 469 O PRO A 34 8.138 -4.282 -11.274 1.00 0.00 O ATOM 470 CB PRO A 34 9.359 -6.703 -12.996 1.00 0.00 C ATOM 471 CG PRO A 34 7.909 -7.189 -13.024 1.00 0.00 C ATOM 472 CD PRO A 34 7.705 -7.747 -11.615 1.00 0.00 C ATOM 0 HA PRO A 34 10.570 -6.364 -11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.529 -5.904 -13.718 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.056 -7.505 -13.239 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.215 -6.377 -13.241 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.754 -7.952 -13.787 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.667 -7.648 -11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.952 -8.808 -11.572 1.00 0.00 H new ATOM 480 N GLY A 35 10.354 -3.912 -11.459 1.00 0.00 N ATOM 481 CA GLY A 35 10.288 -2.460 -11.389 1.00 0.00 C ATOM 482 C GLY A 35 11.495 -1.913 -10.634 1.00 0.00 C ATOM 483 O GLY A 35 12.325 -1.218 -11.211 1.00 0.00 O ATOM 0 H GLY A 35 11.305 -4.270 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.259 -2.041 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.369 -2.154 -10.890 1.00 0.00 H new ATOM 487 N LEU A 36 11.585 -2.237 -9.344 1.00 0.00 N ATOM 488 CA LEU A 36 12.635 -1.808 -8.426 1.00 0.00 C ATOM 489 C LEU A 36 12.773 -2.939 -7.398 1.00 0.00 C ATOM 490 O LEU A 36 11.883 -3.792 -7.331 1.00 0.00 O ATOM 491 CB LEU A 36 12.237 -0.462 -7.785 1.00 0.00 C ATOM 492 CG LEU A 36 13.239 0.697 -7.925 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.517 1.074 -9.384 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.683 1.924 -7.191 1.00 0.00 C ATOM 0 H LEU A 36 10.893 -2.835 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 36 13.592 -1.637 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.289 -0.146 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.059 -0.631 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 36 14.182 0.365 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.231 1.897 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.931 0.213 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.588 1.380 -9.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.385 2.752 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.727 2.208 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.541 1.684 -6.137 1.00 0.00 H new ATOM 506 N PRO A 37 13.866 -3.001 -6.625 1.00 0.00 N ATOM 507 CA PRO A 37 14.139 -4.118 -5.741 1.00 0.00 C ATOM 508 C PRO A 37 13.148 -4.067 -4.575 1.00 0.00 C ATOM 509 O PRO A 37 12.662 -2.987 -4.228 1.00 0.00 O ATOM 510 CB PRO A 37 15.603 -3.960 -5.328 1.00 0.00 C ATOM 511 CG PRO A 37 15.858 -2.456 -5.427 1.00 0.00 C ATOM 512 CD PRO A 37 14.817 -1.930 -6.420 1.00 0.00 C ATOM 0 HA PRO A 37 14.007 -5.099 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.774 -4.327 -4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.266 -4.521 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.751 -1.975 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.871 -2.251 -5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.322 -1.041 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.288 -1.644 -7.361 1.00 0.00 H new ATOM 520 N PRO A 38 12.793 -5.226 -3.997 1.00 0.00 N ATOM 521 CA PRO A 38 11.575 -5.375 -3.221 1.00 0.00 C ATOM 522 C PRO A 38 11.500 -4.358 -2.094 1.00 0.00 C ATOM 523 O PRO A 38 10.470 -3.723 -1.906 1.00 0.00 O ATOM 524 CB PRO A 38 11.537 -6.825 -2.738 1.00 0.00 C ATOM 525 CG PRO A 38 12.960 -7.344 -2.939 1.00 0.00 C ATOM 526 CD PRO A 38 13.521 -6.480 -4.066 1.00 0.00 C ATOM 0 HA PRO A 38 10.691 -5.171 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.239 -6.885 -1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.818 -7.413 -3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.552 -7.244 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.964 -8.400 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.592 -6.319 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.382 -6.961 -5.034 1.00 0.00 H new ATOM 534 N GLU A 39 12.593 -4.146 -1.365 1.00 0.00 N ATOM 535 CA GLU A 39 12.538 -3.282 -0.206 1.00 0.00 C ATOM 536 C GLU A 39 12.224 -1.813 -0.532 1.00 0.00 C ATOM 537 O GLU A 39 11.619 -1.121 0.297 1.00 0.00 O ATOM 538 CB GLU A 39 13.729 -3.542 0.714 1.00 0.00 C ATOM 539 CG GLU A 39 13.673 -4.992 1.242 1.00 0.00 C ATOM 540 CD GLU A 39 12.434 -5.219 2.109 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.389 -4.628 3.210 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.445 -5.799 1.613 1.00 0.00 O ATOM 0 H GLU A 39 13.507 -4.555 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 39 11.660 -3.551 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.661 -3.378 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.716 -2.840 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.665 -5.687 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.570 -5.205 1.823 1.00 0.00 H new ATOM 549 N GLU A 40 12.522 -1.359 -1.754 1.00 0.00 N ATOM 550 CA GLU A 40 12.122 -0.033 -2.209 1.00 0.00 C ATOM 551 C GLU A 40 10.655 0.011 -2.650 1.00 0.00 C ATOM 552 O GLU A 40 10.116 1.097 -2.858 1.00 0.00 O ATOM 553 CB GLU A 40 13.021 0.426 -3.360 1.00 0.00 C ATOM 554 CG GLU A 40 14.491 0.538 -2.947 1.00 0.00 C ATOM 555 CD GLU A 40 15.283 1.248 -4.036 1.00 0.00 C ATOM 556 OE1 GLU A 40 15.099 2.479 -4.145 1.00 0.00 O ATOM 557 OE2 GLU A 40 16.021 0.547 -4.759 1.00 0.00 O ATOM 0 H GLU A 40 13.042 -1.898 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 40 12.233 0.644 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.932 -0.277 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.674 1.393 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.573 1.087 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.905 -0.455 -2.773 1.00 0.00 H new ATOM 564 N GLN A 41 9.996 -1.137 -2.821 1.00 0.00 N ATOM 565 CA GLN A 41 8.620 -1.181 -3.289 1.00 0.00 C ATOM 566 C GLN A 41 7.688 -0.806 -2.148 1.00 0.00 C ATOM 567 O GLN A 41 7.666 -1.494 -1.127 1.00 0.00 O ATOM 568 CB GLN A 41 8.251 -2.583 -3.777 1.00 0.00 C ATOM 569 CG GLN A 41 9.157 -3.057 -4.910 1.00 0.00 C ATOM 570 CD GLN A 41 8.667 -4.360 -5.529 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.592 -4.866 -5.201 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.464 -4.898 -6.441 1.00 0.00 N ATOM 0 H GLN A 41 10.403 -2.054 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 41 8.519 -0.479 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.316 -3.284 -2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.215 -2.587 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.207 -2.287 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.169 -3.195 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.345 -4.443 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.196 -5.767 -6.903 1.00 0.00 H new ATOM 581 N HIS A 42 6.890 0.246 -2.317 1.00 0.00 N ATOM 582 CA HIS A 42 5.796 0.543 -1.410 1.00 0.00 C ATOM 583 C HIS A 42 4.836 1.532 -2.070 1.00 0.00 C ATOM 584 O HIS A 42 5.143 2.048 -3.146 1.00 0.00 O ATOM 585 CB HIS A 42 6.315 0.990 -0.026 1.00 0.00 C ATOM 586 CG HIS A 42 7.627 1.728 0.029 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.198 2.470 -0.984 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.491 1.721 1.088 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.402 2.893 -0.558 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.598 2.454 0.701 1.00 0.00 N ATOM 0 H HIS A 42 6.987 0.911 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 42 5.225 -0.364 -1.211 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.554 1.626 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.404 0.103 0.601 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.781 2.664 -1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.339 1.237 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.098 3.487 -1.131 1.00 0.00 H new ATOM 599 N CYS A 43 3.677 1.773 -1.454 1.00 0.00 N ATOM 600 CA CYS A 43 2.621 2.633 -1.965 1.00 0.00 C ATOM 601 C CYS A 43 3.198 3.993 -2.386 1.00 0.00 C ATOM 602 O CYS A 43 2.863 4.520 -3.444 1.00 0.00 O ATOM 603 CB CYS A 43 1.503 2.745 -0.956 1.00 0.00 C ATOM 604 SG CYS A 43 0.762 1.121 -0.567 1.00 0.00 S ATOM 0 H CYS A 43 3.445 1.357 -0.552 1.00 0.00 H new ATOM 0 HA CYS A 43 2.187 2.190 -2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.885 3.197 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.732 3.411 -1.343 1.00 0.00 H new ATOM 609 N ALA A 44 4.150 4.510 -1.599 1.00 0.00 N ATOM 610 CA ALA A 44 4.964 5.688 -1.893 1.00 0.00 C ATOM 611 C ALA A 44 5.324 5.811 -3.378 1.00 0.00 C ATOM 612 O ALA A 44 5.248 6.899 -3.945 1.00 0.00 O ATOM 613 CB ALA A 44 6.257 5.636 -1.072 1.00 0.00 C ATOM 0 H ALA A 44 4.382 4.095 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 44 4.366 6.559 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.863 6.515 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.013 5.620 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.816 4.736 -1.330 1.00 0.00 H new ATOM 619 N ASN A 45 5.757 4.702 -3.985 1.00 0.00 N ATOM 620 CA ASN A 45 6.174 4.620 -5.378 1.00 0.00 C ATOM 621 C ASN A 45 5.327 3.593 -6.132 1.00 0.00 C ATOM 622 O ASN A 45 5.830 2.931 -7.040 1.00 0.00 O ATOM 623 CB ASN A 45 7.691 4.356 -5.480 1.00 0.00 C ATOM 624 CG ASN A 45 8.215 3.140 -4.707 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.645 2.703 -3.709 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.366 2.607 -5.098 1.00 0.00 N ATOM 0 H ASN A 45 5.827 3.808 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 45 5.999 5.580 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.948 4.231 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.218 5.242 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.776 1.836 -4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.840 2.968 -5.926 1.00 0.00 H new ATOM 633 N CYS A 46 4.033 3.508 -5.797 1.00 0.00 N ATOM 634 CA CYS A 46 3.043 2.682 -6.476 1.00 0.00 C ATOM 635 C CYS A 46 2.108 3.549 -7.320 1.00 0.00 C ATOM 636 O CYS A 46 1.561 4.544 -6.838 1.00 0.00 O ATOM 637 CB CYS A 46 2.226 1.943 -5.467 1.00 0.00 C ATOM 638 SG CYS A 46 1.023 0.874 -6.279 1.00 0.00 S ATOM 0 H CYS A 46 3.639 4.034 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 46 3.569 1.980 -7.123 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.879 1.346 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.711 2.652 -4.819 1.00 0.00 H new ATOM 643 N GLN A 47 1.924 3.152 -8.579 1.00 0.00 N ATOM 644 CA GLN A 47 1.100 3.771 -9.602 1.00 0.00 C ATOM 645 C GLN A 47 -0.127 4.443 -8.998 1.00 0.00 C ATOM 646 O GLN A 47 -0.336 5.646 -9.171 1.00 0.00 O ATOM 647 CB GLN A 47 0.726 2.693 -10.642 1.00 0.00 C ATOM 648 CG GLN A 47 0.574 3.243 -12.064 1.00 0.00 C ATOM 649 CD GLN A 47 1.914 3.731 -12.601 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.212 4.919 -12.558 1.00 0.00 O ATOM 651 NE2 GLN A 47 2.760 2.809 -13.047 1.00 0.00 N ATOM 0 H GLN A 47 2.390 2.317 -8.933 1.00 0.00 H new ATOM 0 HA GLN A 47 1.658 4.565 -10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.492 1.917 -10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.209 2.219 -10.342 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.176 2.467 -12.718 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.144 4.063 -12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.480 1.828 -13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.689 3.082 -13.367 1.00 0.00 H new ATOM 660 N PHE A 48 -0.911 3.657 -8.264 1.00 0.00 N ATOM 661 CA PHE A 48 -2.256 4.012 -7.865 1.00 0.00 C ATOM 662 C PHE A 48 -2.331 4.803 -6.563 1.00 0.00 C ATOM 663 O PHE A 48 -3.443 5.023 -6.088 1.00 0.00 O ATOM 664 CB PHE A 48 -3.078 2.724 -7.774 1.00 0.00 C ATOM 665 CG PHE A 48 -3.100 1.911 -9.056 1.00 0.00 C ATOM 666 CD1 PHE A 48 -3.296 2.534 -10.304 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.832 0.533 -9.004 1.00 0.00 C ATOM 668 CE1 PHE A 48 -3.127 1.803 -11.492 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.640 -0.195 -10.191 1.00 0.00 C ATOM 670 CZ PHE A 48 -2.776 0.442 -11.436 1.00 0.00 C ATOM 0 H PHE A 48 -0.617 2.740 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.663 4.685 -8.620 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.677 2.106 -6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.102 2.978 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.577 3.576 -10.348 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.773 0.032 -8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.267 2.286 -12.448 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.388 -1.244 -10.146 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.611 -0.112 -12.348 1.00 0.00 H new ATOM 680 N MET A 49 -1.204 5.238 -5.990 1.00 0.00 N ATOM 681 CA MET A 49 -1.256 6.081 -4.805 1.00 0.00 C ATOM 682 C MET A 49 -1.863 7.446 -5.151 1.00 0.00 C ATOM 683 O MET A 49 -1.491 8.054 -6.156 1.00 0.00 O ATOM 684 CB MET A 49 0.141 6.234 -4.199 1.00 0.00 C ATOM 685 CG MET A 49 0.056 6.945 -2.842 1.00 0.00 C ATOM 686 SD MET A 49 1.613 7.262 -1.981 1.00 0.00 S ATOM 687 CE MET A 49 2.446 8.345 -3.162 1.00 0.00 C ATOM 0 H MET A 49 -0.265 5.022 -6.324 1.00 0.00 H new ATOM 0 HA MET A 49 -1.895 5.606 -4.061 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.601 5.254 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.779 6.802 -4.876 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.449 7.900 -2.991 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.578 6.348 -2.186 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.338 8.768 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.731 7.771 -4.044 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.772 9.150 -3.455 1.00 0.00 H new ATOM 697 N GLN A 50 -2.774 7.921 -4.297 1.00 0.00 N ATOM 698 CA GLN A 50 -3.509 9.170 -4.421 1.00 0.00 C ATOM 699 C GLN A 50 -3.208 10.058 -3.211 1.00 0.00 C ATOM 700 O GLN A 50 -3.534 9.710 -2.075 1.00 0.00 O ATOM 701 CB GLN A 50 -5.008 8.867 -4.471 1.00 0.00 C ATOM 702 CG GLN A 50 -5.381 7.992 -5.669 1.00 0.00 C ATOM 703 CD GLN A 50 -6.863 7.649 -5.641 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.285 6.771 -4.895 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.672 8.333 -6.444 1.00 0.00 N ATOM 0 H GLN A 50 -3.029 7.409 -3.452 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.209 9.686 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.307 8.366 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.565 9.803 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.140 8.513 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.790 7.076 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.292 9.058 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.672 8.133 -6.451 1.00 0.00 H new ATOM 714 N ALA A 51 -2.594 11.213 -3.457 1.00 0.00 N ATOM 715 CA ALA A 51 -2.356 12.262 -2.463 1.00 0.00 C ATOM 716 C ALA A 51 -3.525 13.248 -2.425 1.00 0.00 C ATOM 717 O ALA A 51 -3.835 13.824 -1.386 1.00 0.00 O ATOM 718 CB ALA A 51 -1.029 12.958 -2.767 1.00 0.00 C ATOM 0 H ALA A 51 -2.237 11.454 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.288 11.816 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.850 13.739 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.219 12.230 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.071 13.402 -3.762 1.00 0.00 H new ATOM 724 N ASP A 52 -4.192 13.385 -3.569 1.00 0.00 N ATOM 725 CA ASP A 52 -5.464 14.047 -3.805 1.00 0.00 C ATOM 726 C ASP A 52 -6.591 13.473 -2.940 1.00 0.00 C ATOM 727 O ASP A 52 -7.601 14.141 -2.729 1.00 0.00 O ATOM 728 CB ASP A 52 -5.807 13.865 -5.294 1.00 0.00 C ATOM 729 CG ASP A 52 -5.728 12.400 -5.727 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.588 11.877 -5.678 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.786 11.820 -6.046 1.00 0.00 O ATOM 0 H ASP A 52 -3.815 12.997 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.372 15.100 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.811 14.245 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.122 14.459 -5.899 1.00 0.00 H new ATOM 736 N ALA A 53 -6.444 12.237 -2.453 1.00 0.00 N ATOM 737 CA ALA A 53 -7.477 11.568 -1.685 1.00 0.00 C ATOM 738 C ALA A 53 -7.788 12.335 -0.398 1.00 0.00 C ATOM 739 O ALA A 53 -7.032 12.264 0.571 1.00 0.00 O ATOM 740 CB ALA A 53 -7.033 10.140 -1.382 1.00 0.00 C ATOM 0 H ALA A 53 -5.601 11.679 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.396 11.538 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.806 9.633 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.868 9.604 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.107 10.161 -0.808 1.00 0.00 H new ATOM 746 N ALA A 54 -8.914 13.052 -0.380 1.00 0.00 N ATOM 747 CA ALA A 54 -9.395 13.755 0.799 1.00 0.00 C ATOM 748 C ALA A 54 -9.389 12.818 2.008 1.00 0.00 C ATOM 749 O ALA A 54 -9.984 11.744 1.960 1.00 0.00 O ATOM 750 CB ALA A 54 -10.802 14.297 0.545 1.00 0.00 C ATOM 0 H ALA A 54 -9.519 13.158 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.732 14.594 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.155 14.822 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.780 14.986 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.476 13.470 0.321 1.00 0.00 H new ATOM 756 N GLY A 55 -8.687 13.217 3.072 1.00 0.00 N ATOM 757 CA GLY A 55 -8.461 12.392 4.250 1.00 0.00 C ATOM 758 C GLY A 55 -6.992 11.992 4.382 1.00 0.00 C ATOM 759 O GLY A 55 -6.544 11.708 5.490 1.00 0.00 O ATOM 0 H GLY A 55 -8.255 14.139 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.772 12.936 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.079 11.496 4.192 1.00 0.00 H new ATOM 763 N ALA A 56 -6.243 11.966 3.273 1.00 0.00 N ATOM 764 CA ALA A 56 -4.810 11.712 3.270 1.00 0.00 C ATOM 765 C ALA A 56 -4.105 12.596 4.305 1.00 0.00 C ATOM 766 O ALA A 56 -4.373 13.794 4.375 1.00 0.00 O ATOM 767 CB ALA A 56 -4.256 11.970 1.865 1.00 0.00 C ATOM 0 H ALA A 56 -6.628 12.124 2.342 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.626 10.672 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.182 11.781 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.747 11.306 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.444 13.006 1.584 1.00 0.00 H new ATOM 773 N THR A 57 -3.226 12.001 5.119 1.00 0.00 N ATOM 774 CA THR A 57 -2.597 12.671 6.251 1.00 0.00 C ATOM 775 C THR A 57 -1.123 12.953 5.951 1.00 0.00 C ATOM 776 O THR A 57 -0.768 13.292 4.821 1.00 0.00 O ATOM 777 CB THR A 57 -2.822 11.864 7.543 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.055 10.682 7.509 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.291 11.487 7.748 1.00 0.00 C ATOM 0 H THR A 57 -2.932 11.031 5.005 1.00 0.00 H new ATOM 0 HA THR A 57 -3.065 13.642 6.413 1.00 0.00 H new ATOM 0 HB THR A 57 -2.515 12.502 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.352 10.728 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.395 10.919 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.894 12.393 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.631 10.880 6.909 1.00 0.00 H new ATOM 787 N ASP A 58 -0.255 12.756 6.945 1.00 0.00 N ATOM 788 CA ASP A 58 1.160 12.714 6.862 1.00 0.00 C ATOM 789 C ASP A 58 1.535 11.467 6.062 1.00 0.00 C ATOM 790 O ASP A 58 1.881 11.550 4.881 1.00 0.00 O ATOM 791 CB ASP A 58 1.673 12.650 8.315 1.00 0.00 C ATOM 792 CG ASP A 58 0.885 11.869 9.367 1.00 0.00 C ATOM 793 OD1 ASP A 58 0.108 10.958 8.988 1.00 0.00 O ATOM 794 OD2 ASP A 58 1.069 12.128 10.574 1.00 0.00 O ATOM 0 H ASP A 58 -0.579 12.612 7.901 1.00 0.00 H new ATOM 0 HA ASP A 58 1.598 13.579 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.679 12.232 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.764 13.676 8.673 1.00 0.00 H new ATOM 799 N GLU A 59 1.409 10.293 6.680 1.00 0.00 N ATOM 800 CA GLU A 59 1.938 9.069 6.143 1.00 0.00 C ATOM 801 C GLU A 59 0.898 8.417 5.251 1.00 0.00 C ATOM 802 O GLU A 59 1.213 7.461 4.546 1.00 0.00 O ATOM 803 CB GLU A 59 2.210 8.111 7.294 1.00 0.00 C ATOM 804 CG GLU A 59 3.012 8.620 8.492 1.00 0.00 C ATOM 805 CD GLU A 59 2.844 7.621 9.626 1.00 0.00 C ATOM 806 OE1 GLU A 59 2.908 6.409 9.321 1.00 0.00 O ATOM 807 OE2 GLU A 59 2.544 8.087 10.749 1.00 0.00 O ATOM 0 H GLU A 59 0.931 10.178 7.574 1.00 0.00 H new ATOM 0 HA GLU A 59 2.846 9.285 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.248 7.757 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.733 7.245 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.065 8.725 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.659 9.605 8.796 1.00 0.00 H new ATOM 814 N TRP A 60 -0.359 8.864 5.343 1.00 0.00 N ATOM 815 CA TRP A 60 -1.458 8.078 4.837 1.00 0.00 C ATOM 816 C TRP A 60 -2.002 8.735 3.584 1.00 0.00 C ATOM 817 O TRP A 60 -2.117 9.963 3.543 1.00 0.00 O ATOM 818 CB TRP A 60 -2.476 7.896 5.951 1.00 0.00 C ATOM 819 CG TRP A 60 -1.940 7.148 7.131 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.219 7.681 8.142 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.026 5.721 7.421 1.00 0.00 C ATOM 822 NE1 TRP A 60 -0.866 6.697 9.029 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.389 5.483 8.672 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.589 4.603 6.774 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.380 4.234 9.293 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.522 3.323 7.357 1.00 0.00 C ATOM 827 CH2 TRP A 60 -1.989 3.151 8.649 1.00 0.00 C ATOM 0 H TRP A 60 -0.625 9.756 5.760 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.147 7.077 4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.824 8.876 6.279 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.343 7.365 5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.960 8.725 8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.285 6.850 9.853 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.078 4.729 5.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.910 4.105 10.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.883 2.465 6.808 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.050 2.191 9.139 1.00 0.00 H new ATOM 838 N LYS A 61 -2.216 7.932 2.544 1.00 0.00 N ATOM 839 CA LYS A 61 -2.679 8.344 1.224 1.00 0.00 C ATOM 840 C LYS A 61 -3.858 7.453 0.829 1.00 0.00 C ATOM 841 O LYS A 61 -4.122 6.444 1.483 1.00 0.00 O ATOM 842 CB LYS A 61 -1.530 8.232 0.199 1.00 0.00 C ATOM 843 CG LYS A 61 -0.803 9.565 -0.039 1.00 0.00 C ATOM 844 CD LYS A 61 0.137 9.983 1.105 1.00 0.00 C ATOM 845 CE LYS A 61 -0.076 11.441 1.557 1.00 0.00 C ATOM 846 NZ LYS A 61 -0.015 11.572 3.027 1.00 0.00 N ATOM 0 H LYS A 61 -2.063 6.925 2.604 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.002 9.385 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.811 7.490 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.930 7.869 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.225 9.492 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.545 10.349 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.017 9.319 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.171 9.855 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.684 12.077 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.043 11.795 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.312 12.530 3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.649 10.874 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.959 11.405 3.350 1.00 0.00 H new ATOM 860 N GLY A 62 -4.566 7.814 -0.240 1.00 0.00 N ATOM 861 CA GLY A 62 -5.527 6.917 -0.863 1.00 0.00 C ATOM 862 C GLY A 62 -4.783 5.985 -1.811 1.00 0.00 C ATOM 863 O GLY A 62 -3.661 6.289 -2.217 1.00 0.00 O ATOM 0 H GLY A 62 -4.489 8.726 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.054 6.340 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.279 7.488 -1.408 1.00 0.00 H new ATOM 867 N CYS A 63 -5.405 4.863 -2.169 1.00 0.00 N ATOM 868 CA CYS A 63 -4.942 3.975 -3.221 1.00 0.00 C ATOM 869 C CYS A 63 -6.146 3.725 -4.126 1.00 0.00 C ATOM 870 O CYS A 63 -7.247 3.506 -3.623 1.00 0.00 O ATOM 871 CB CYS A 63 -4.366 2.713 -2.626 1.00 0.00 C ATOM 872 SG CYS A 63 -4.161 1.477 -3.928 1.00 0.00 S ATOM 0 H CYS A 63 -6.264 4.543 -1.722 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.132 4.408 -3.808 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.406 2.925 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.026 2.331 -1.847 1.00 0.00 H new ATOM 877 N GLN A 64 -5.966 3.803 -5.449 1.00 0.00 N ATOM 878 CA GLN A 64 -7.072 3.742 -6.402 1.00 0.00 C ATOM 879 C GLN A 64 -7.922 2.480 -6.223 1.00 0.00 C ATOM 880 O GLN A 64 -9.143 2.533 -6.372 1.00 0.00 O ATOM 881 CB GLN A 64 -6.541 3.879 -7.838 1.00 0.00 C ATOM 882 CG GLN A 64 -7.607 4.385 -8.825 1.00 0.00 C ATOM 883 CD GLN A 64 -8.192 3.266 -9.684 1.00 0.00 C ATOM 884 OE1 GLN A 64 -7.816 3.110 -10.839 1.00 0.00 O ATOM 885 NE2 GLN A 64 -9.115 2.475 -9.146 1.00 0.00 N ATOM 0 H GLN A 64 -5.050 3.910 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.736 4.583 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.694 4.565 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.170 2.912 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.410 4.869 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.166 5.143 -9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.414 2.622 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.524 1.721 -9.697 1.00 0.00 H new ATOM 894 N LEU A 65 -7.290 1.346 -5.912 1.00 0.00 N ATOM 895 CA LEU A 65 -7.975 0.072 -5.695 1.00 0.00 C ATOM 896 C LEU A 65 -8.584 -0.018 -4.286 1.00 0.00 C ATOM 897 O LEU A 65 -9.176 -1.038 -3.940 1.00 0.00 O ATOM 898 CB LEU A 65 -6.989 -1.088 -5.928 1.00 0.00 C ATOM 899 CG LEU A 65 -6.873 -1.506 -7.403 1.00 0.00 C ATOM 900 CD1 LEU A 65 -6.390 -0.368 -8.309 1.00 0.00 C ATOM 901 CD2 LEU A 65 -5.906 -2.692 -7.510 1.00 0.00 C ATOM 0 H LEU A 65 -6.278 1.287 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.797 0.004 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.004 -0.797 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.306 -1.948 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.870 -1.782 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.328 -0.723 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.092 0.464 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.406 -0.034 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.817 -2.996 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.926 -2.398 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.286 -3.526 -6.920 1.00 0.00 H new ATOM 913 N PHE A 66 -8.435 1.025 -3.466 1.00 0.00 N ATOM 914 CA PHE A 66 -8.650 0.989 -2.027 1.00 0.00 C ATOM 915 C PHE A 66 -9.488 2.207 -1.608 1.00 0.00 C ATOM 916 O PHE A 66 -9.006 3.087 -0.899 1.00 0.00 O ATOM 917 CB PHE A 66 -7.252 0.942 -1.368 1.00 0.00 C ATOM 918 CG PHE A 66 -6.962 -0.235 -0.461 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.883 -0.636 0.523 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.709 -0.871 -0.544 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.584 -1.731 1.353 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.400 -1.940 0.309 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.367 -2.415 1.209 1.00 0.00 C ATOM 0 H PHE A 66 -8.152 1.946 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.214 0.113 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.503 0.953 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.118 1.857 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.816 -0.105 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.982 -0.534 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.293 -2.047 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.422 -2.396 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.175 -3.305 1.790 1.00 0.00 H new ATOM 933 N PRO A 67 -10.752 2.291 -2.049 1.00 0.00 N ATOM 934 CA PRO A 67 -11.560 3.486 -1.873 1.00 0.00 C ATOM 935 C PRO A 67 -12.010 3.650 -0.423 1.00 0.00 C ATOM 936 O PRO A 67 -12.222 2.671 0.292 1.00 0.00 O ATOM 937 CB PRO A 67 -12.755 3.317 -2.810 1.00 0.00 C ATOM 938 CG PRO A 67 -12.910 1.798 -2.914 1.00 0.00 C ATOM 939 CD PRO A 67 -11.474 1.282 -2.807 1.00 0.00 C ATOM 0 HA PRO A 67 -10.992 4.386 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.652 3.786 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.570 3.770 -3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.538 1.403 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.372 1.506 -3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.441 0.316 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.033 1.143 -3.794 1.00 0.00 H new ATOM 947 N GLY A 68 -12.147 4.903 0.016 1.00 0.00 N ATOM 948 CA GLY A 68 -12.645 5.285 1.332 1.00 0.00 C ATOM 949 C GLY A 68 -11.577 5.128 2.413 1.00 0.00 C ATOM 950 O GLY A 68 -11.368 6.016 3.239 1.00 0.00 O ATOM 0 H GLY A 68 -11.904 5.708 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.985 6.320 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.510 4.672 1.585 1.00 0.00 H new ATOM 954 N LYS A 69 -10.910 3.978 2.408 1.00 0.00 N ATOM 955 CA LYS A 69 -9.817 3.672 3.312 1.00 0.00 C ATOM 956 C LYS A 69 -8.563 4.428 2.830 1.00 0.00 C ATOM 957 O LYS A 69 -8.538 4.932 1.709 1.00 0.00 O ATOM 958 CB LYS A 69 -9.569 2.151 3.359 1.00 0.00 C ATOM 959 CG LYS A 69 -10.815 1.305 3.041 1.00 0.00 C ATOM 960 CD LYS A 69 -10.659 -0.151 3.500 1.00 0.00 C ATOM 961 CE LYS A 69 -11.673 -1.062 2.786 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.534 -2.471 3.208 1.00 0.00 N ATOM 0 H LYS A 69 -11.122 3.220 1.760 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.064 3.991 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.781 1.899 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.203 1.883 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.685 1.746 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.003 1.328 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.646 -0.495 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.803 -0.214 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.685 -0.717 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.531 -0.989 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.876 -3.096 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.533 -2.678 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.094 -2.632 4.069 1.00 0.00 H new ATOM 976 N LEU A 70 -7.517 4.494 3.656 1.00 0.00 N ATOM 977 CA LEU A 70 -6.231 5.095 3.319 1.00 0.00 C ATOM 978 C LEU A 70 -5.128 4.077 3.605 1.00 0.00 C ATOM 979 O LEU A 70 -5.141 3.439 4.660 1.00 0.00 O ATOM 980 CB LEU A 70 -5.998 6.360 4.158 1.00 0.00 C ATOM 981 CG LEU A 70 -7.004 7.488 3.882 1.00 0.00 C ATOM 982 CD1 LEU A 70 -6.923 8.513 5.014 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.756 8.201 2.551 1.00 0.00 C ATOM 0 H LEU A 70 -7.545 4.119 4.604 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.222 5.373 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.045 6.096 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.991 6.730 3.966 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.992 7.031 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.634 9.318 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.163 8.029 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.914 8.923 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.499 8.986 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.759 8.642 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.833 7.483 1.734 1.00 0.00 H new ATOM 995 N ILE A 71 -4.175 3.935 2.682 1.00 0.00 N ATOM 996 CA ILE A 71 -2.991 3.104 2.866 1.00 0.00 C ATOM 997 C ILE A 71 -1.862 3.991 3.375 1.00 0.00 C ATOM 998 O ILE A 71 -1.918 5.211 3.225 1.00 0.00 O ATOM 999 CB ILE A 71 -2.607 2.346 1.579 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -1.781 3.107 0.528 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.829 1.680 0.937 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -2.363 4.424 0.032 1.00 0.00 C ATOM 0 H ILE A 71 -4.207 4.401 1.775 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.200 2.328 3.602 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.911 1.592 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.795 3.306 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.636 2.453 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.524 1.154 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.267 0.970 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.567 2.441 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.691 4.865 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.335 4.242 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.481 5.109 0.872 1.00 0.00 H new ATOM 1014 N ASN A 72 -0.839 3.403 3.992 1.00 0.00 N ATOM 1015 CA ASN A 72 0.340 4.166 4.383 1.00 0.00 C ATOM 1016 C ASN A 72 1.320 4.153 3.215 1.00 0.00 C ATOM 1017 O ASN A 72 1.516 3.094 2.627 1.00 0.00 O ATOM 1018 CB ASN A 72 0.977 3.514 5.612 1.00 0.00 C ATOM 1019 CG ASN A 72 1.956 4.435 6.326 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.976 4.823 5.757 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.647 4.765 7.578 1.00 0.00 N ATOM 0 H ASN A 72 -0.804 2.412 4.229 1.00 0.00 H new ATOM 0 HA ASN A 72 0.072 5.193 4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.192 3.216 6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.496 2.605 5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.270 5.369 8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.787 4.414 8.000 1.00 0.00 H new ATOM 1028 N VAL A 73 1.969 5.281 2.902 1.00 0.00 N ATOM 1029 CA VAL A 73 3.001 5.355 1.864 1.00 0.00 C ATOM 1030 C VAL A 73 4.016 4.228 2.009 1.00 0.00 C ATOM 1031 O VAL A 73 4.517 3.682 1.031 1.00 0.00 O ATOM 1032 CB VAL A 73 3.742 6.705 1.919 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.772 7.837 1.626 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.460 6.995 3.247 1.00 0.00 C ATOM 0 H VAL A 73 1.791 6.172 3.365 1.00 0.00 H new ATOM 0 HA VAL A 73 2.494 5.257 0.904 1.00 0.00 H new ATOM 0 HB VAL A 73 4.521 6.636 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.301 8.789 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.344 7.701 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.974 7.834 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.952 7.966 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.733 7.004 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.205 6.221 3.435 1.00 0.00 H new ATOM 1044 N ASN A 74 4.346 3.917 3.256 1.00 0.00 N ATOM 1045 CA ASN A 74 5.339 2.903 3.585 1.00 0.00 C ATOM 1046 C ASN A 74 4.881 1.485 3.235 1.00 0.00 C ATOM 1047 O ASN A 74 5.734 0.613 3.088 1.00 0.00 O ATOM 1048 CB ASN A 74 5.666 2.983 5.078 1.00 0.00 C ATOM 1049 CG ASN A 74 6.415 4.255 5.432 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.586 4.416 5.104 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.728 5.164 6.104 1.00 0.00 N ATOM 0 H ASN A 74 3.929 4.364 4.073 1.00 0.00 H new ATOM 0 HA ASN A 74 6.225 3.109 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.742 2.935 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.265 2.119 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.171 6.043 6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.756 4.986 6.355 1.00 0.00 H new ATOM 1058 N GLY A 75 3.570 1.244 3.131 1.00 0.00 N ATOM 1059 CA GLY A 75 3.002 -0.084 2.950 1.00 0.00 C ATOM 1060 C GLY A 75 3.222 -0.632 1.542 1.00 0.00 C ATOM 1061 O GLY A 75 3.763 0.056 0.688 1.00 0.00 O ATOM 0 H GLY A 75 2.867 1.982 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.446 -0.767 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.933 -0.049 3.159 1.00 0.00 H new ATOM 1065 N TRP A 76 2.819 -1.875 1.288 1.00 0.00 N ATOM 1066 CA TRP A 76 2.925 -2.534 -0.009 1.00 0.00 C ATOM 1067 C TRP A 76 1.710 -3.439 -0.154 1.00 0.00 C ATOM 1068 O TRP A 76 1.242 -3.934 0.870 1.00 0.00 O ATOM 1069 CB TRP A 76 4.211 -3.371 -0.035 1.00 0.00 C ATOM 1070 CG TRP A 76 4.492 -4.163 -1.281 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.368 -3.797 -2.239 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.031 -5.497 -1.664 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.500 -4.800 -3.176 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.686 -5.871 -2.877 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.192 -6.465 -1.071 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.516 -7.132 -3.467 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 3.029 -7.740 -1.645 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.699 -8.080 -2.833 1.00 0.00 C ATOM 0 H TRP A 76 2.397 -2.469 2.002 1.00 0.00 H new ATOM 0 HA TRP A 76 2.960 -1.812 -0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.053 -2.701 0.136 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.180 -4.064 0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.892 -2.853 -2.268 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.119 -4.755 -3.985 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.665 -6.223 -0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.008 -7.370 -4.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.384 -8.463 -1.169 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.585 -9.067 -3.256 1.00 0.00 H new ATOM 1089 N CYS A 77 1.238 -3.676 -1.385 1.00 0.00 N ATOM 1090 CA CYS A 77 0.292 -4.737 -1.713 1.00 0.00 C ATOM 1091 C CYS A 77 0.742 -5.445 -2.997 1.00 0.00 C ATOM 1092 O CYS A 77 1.615 -4.958 -3.718 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.133 -4.228 -1.794 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.537 -3.542 -3.419 1.00 0.00 S ATOM 0 H CYS A 77 1.513 -3.120 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 77 0.290 -5.468 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.819 -5.044 -1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.285 -3.463 -1.033 1.00 0.00 H new ATOM 1099 N ALA A 78 0.152 -6.607 -3.285 1.00 0.00 N ATOM 1100 CA ALA A 78 0.493 -7.456 -4.421 1.00 0.00 C ATOM 1101 C ALA A 78 0.352 -6.730 -5.759 1.00 0.00 C ATOM 1102 O ALA A 78 1.012 -7.091 -6.732 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.374 -8.717 -4.394 1.00 0.00 C ATOM 0 H ALA A 78 -0.600 -6.992 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 78 1.544 -7.730 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.120 -9.352 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.195 -9.262 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.426 -8.437 -4.453 1.00 0.00 H new ATOM 1109 N SER A 79 -0.505 -5.711 -5.817 1.00 0.00 N ATOM 1110 CA SER A 79 -0.698 -4.893 -7.004 1.00 0.00 C ATOM 1111 C SER A 79 0.377 -3.811 -7.161 1.00 0.00 C ATOM 1112 O SER A 79 0.278 -3.027 -8.103 1.00 0.00 O ATOM 1113 CB SER A 79 -2.102 -4.276 -6.991 1.00 0.00 C ATOM 1114 OG SER A 79 -3.073 -5.293 -6.829 1.00 0.00 O ATOM 0 H SER A 79 -1.089 -5.431 -5.029 1.00 0.00 H new ATOM 0 HA SER A 79 -0.600 -5.547 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.183 -3.551 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.280 -3.736 -7.921 1.00 0.00 H new ATOM 0 HG SER A 79 -3.967 -4.893 -6.820 1.00 0.00 H new ATOM 1120 N TRP A 80 1.393 -3.743 -6.285 1.00 0.00 N ATOM 1121 CA TRP A 80 2.439 -2.726 -6.377 1.00 0.00 C ATOM 1122 C TRP A 80 2.989 -2.620 -7.800 1.00 0.00 C ATOM 1123 O TRP A 80 3.325 -3.634 -8.411 1.00 0.00 O ATOM 1124 CB TRP A 80 3.587 -2.992 -5.397 1.00 0.00 C ATOM 1125 CG TRP A 80 4.625 -1.911 -5.439 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.566 -0.767 -4.729 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.775 -1.769 -6.329 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.563 0.092 -5.141 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.349 -0.477 -6.126 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.377 -2.593 -7.305 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.466 -0.035 -6.855 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.513 -2.169 -8.020 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.068 -0.899 -7.783 1.00 0.00 C ATOM 0 H TRP A 80 1.507 -4.387 -5.502 1.00 0.00 H new ATOM 0 HA TRP A 80 1.973 -1.778 -6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.189 -3.073 -4.386 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.051 -3.949 -5.634 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.845 -0.555 -3.953 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.703 1.030 -4.766 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.958 -3.568 -7.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.858 0.960 -6.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.961 -2.822 -8.754 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.956 -0.589 -8.314 1.00 0.00 H new ATOM 1144 N THR A 81 3.056 -1.409 -8.344 1.00 0.00 N ATOM 1145 CA THR A 81 3.387 -1.164 -9.739 1.00 0.00 C ATOM 1146 C THR A 81 4.169 0.143 -9.774 1.00 0.00 C ATOM 1147 O THR A 81 3.649 1.145 -9.309 1.00 0.00 O ATOM 1148 CB THR A 81 2.059 -1.081 -10.512 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.436 -2.352 -10.506 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.214 -0.617 -11.961 1.00 0.00 C ATOM 0 H THR A 81 2.878 -0.555 -7.815 1.00 0.00 H new ATOM 0 HA THR A 81 3.994 -1.946 -10.195 1.00 0.00 H new ATOM 0 HB THR A 81 1.453 -0.332 -10.003 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.916 -2.457 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.235 -0.584 -12.439 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.660 0.377 -11.979 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.857 -1.313 -12.499 1.00 0.00 H new ATOM 1158 N LEU A 82 5.407 0.150 -10.276 1.00 0.00 N ATOM 1159 CA LEU A 82 6.297 1.304 -10.184 1.00 0.00 C ATOM 1160 C LEU A 82 5.621 2.580 -10.709 1.00 0.00 C ATOM 1161 O LEU A 82 5.281 2.668 -11.891 1.00 0.00 O ATOM 1162 CB LEU A 82 7.584 0.978 -10.949 1.00 0.00 C ATOM 1163 CG LEU A 82 8.813 1.815 -10.546 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.951 1.469 -11.510 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.601 3.333 -10.586 1.00 0.00 C ATOM 0 H LEU A 82 5.819 -0.649 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 82 6.539 1.503 -9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.818 -0.076 -10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.401 1.119 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 82 9.031 1.565 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.837 2.048 -11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.178 0.405 -11.438 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.649 1.707 -12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.520 3.837 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.334 3.637 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.798 3.606 -9.901 1.00 0.00 H new ATOM 1177 N LYS A 83 5.417 3.564 -9.827 1.00 0.00 N ATOM 1178 CA LYS A 83 4.781 4.827 -10.163 1.00 0.00 C ATOM 1179 C LYS A 83 5.539 5.567 -11.272 1.00 0.00 C ATOM 1180 O LYS A 83 6.662 6.022 -11.070 1.00 0.00 O ATOM 1181 CB LYS A 83 4.607 5.683 -8.899 1.00 0.00 C ATOM 1182 CG LYS A 83 3.669 6.875 -9.140 1.00 0.00 C ATOM 1183 CD LYS A 83 3.076 7.400 -7.820 1.00 0.00 C ATOM 1184 CE LYS A 83 1.943 8.433 -7.978 1.00 0.00 C ATOM 1185 NZ LYS A 83 0.900 8.048 -8.958 1.00 0.00 N ATOM 0 H LYS A 83 5.696 3.497 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 83 3.789 4.620 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.209 5.065 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.580 6.047 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.216 7.675 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.862 6.576 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.697 6.553 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.877 7.849 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.473 8.591 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.376 9.386 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.009 8.473 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.169 8.388 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.806 7.012 -8.977 1.00 0.00 H new ATOM 1199 N ALA A 84 4.892 5.695 -12.431 1.00 0.00 N ATOM 1200 CA ALA A 84 5.327 6.442 -13.602 1.00 0.00 C ATOM 1201 C ALA A 84 4.157 7.313 -14.071 1.00 0.00 C ATOM 1202 O ALA A 84 3.801 7.317 -15.248 1.00 0.00 O ATOM 1203 CB ALA A 84 5.764 5.450 -14.687 1.00 0.00 C ATOM 0 H ALA A 84 3.988 5.247 -12.582 1.00 0.00 H new ATOM 0 HA ALA A 84 6.175 7.087 -13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.092 5.998 -15.570 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.586 4.840 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.925 4.806 -14.951 1.00 0.00 H new ATOM 1209 N GLY A 85 3.537 8.021 -13.128 1.00 0.00 N ATOM 1210 CA GLY A 85 2.261 8.691 -13.267 1.00 0.00 C ATOM 1211 C GLY A 85 1.725 8.757 -11.844 1.00 0.00 C ATOM 1212 O GLY A 85 0.521 8.557 -11.593 1.00 0.00 O ATOM 1213 OXT GLY A 85 2.560 8.873 -10.923 1.00 0.00 O ATOM 0 H GLY A 85 3.940 8.144 -12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.377 9.686 -13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.588 8.137 -13.922 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 -0.237 0.469 -2.237 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 -0.110 0.328 -4.708 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -2.326 0.629 -3.637 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -1.147 -1.542 -3.427 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -1.889 -0.702 -5.277 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -2.132 -0.512 -1.808 1.00 0.00 S HETATM 1224 S3 SF4 A 86 0.946 -0.984 -3.342 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -0.732 2.068 -3.599 1.00 0.00 S