USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 774 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 19 CYS SG : rot 159:sc= -3.47! USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0438 (180deg=-0.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.27) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.21) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0194) USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -0.0612 (180deg=-0.788) USER MOD Single : A 53 GLN : amide:sc= -3.12! C(o=-3.1!,f=-7.9!) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.14) USER MOD Single : A 56 SER OG : rot -68:sc= 1.29 USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= -0.346 (180deg=-2.39!) USER MOD Single : A 69 GLN : amide:sc= -3.15! K(o=-3.2!,f=-0.99) USER MOD Single : A 70 ASN : amide:sc= -2.34 K(o=-2.3,f=-1.7) USER MOD Single : A 72 SER OG : rot -110:sc= -0.0671 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -137:sc= -0.0304 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.18) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -112:sc= -0.396 (180deg=-3.31) USER MOD Single : A 108 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.082 7.316 4.212 1.00 0.00 N ATOM 61 CA GLY A 5 -12.951 8.124 4.623 1.00 0.00 C ATOM 62 C GLY A 5 -11.729 7.288 4.938 1.00 0.00 C ATOM 63 O GLY A 5 -10.841 7.721 5.673 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.708 8.834 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.225 8.708 5.502 1.00 0.00 H new ATOM 67 N ILE A 6 -11.687 6.081 4.386 1.00 0.00 N ATOM 68 CA ILE A 6 -10.535 5.212 4.551 1.00 0.00 C ATOM 69 C ILE A 6 -9.342 5.807 3.815 1.00 0.00 C ATOM 70 O ILE A 6 -8.200 5.723 4.273 1.00 0.00 O ATOM 71 CB ILE A 6 -10.831 3.780 4.045 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.837 3.098 4.975 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.551 2.957 3.938 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.164 1.675 4.583 1.00 0.00 C ATOM 0 H ILE A 6 -12.438 5.685 3.821 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.304 5.139 5.614 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.262 3.849 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.440 3.103 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.758 3.682 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.791 1.956 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.867 3.438 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.079 2.888 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.883 1.259 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.591 1.663 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.254 1.076 4.597 1.00 0.00 H new ATOM 86 N LEU A 7 -9.632 6.445 2.692 1.00 0.00 N ATOM 87 CA LEU A 7 -8.626 7.149 1.919 1.00 0.00 C ATOM 88 C LEU A 7 -9.204 8.465 1.419 1.00 0.00 C ATOM 89 O LEU A 7 -10.422 8.632 1.356 1.00 0.00 O ATOM 90 CB LEU A 7 -8.078 6.276 0.760 1.00 0.00 C ATOM 91 CG LEU A 7 -9.018 5.917 -0.423 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.370 5.392 0.039 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.191 7.091 -1.376 1.00 0.00 C ATOM 0 H LEU A 7 -10.570 6.488 2.293 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.773 7.366 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.209 6.787 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.722 5.341 1.193 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.529 5.107 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.985 5.157 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.226 4.491 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.868 6.151 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.855 6.803 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.622 7.936 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.220 7.376 -1.782 1.00 0.00 H new ATOM 105 N ASN A 8 -8.340 9.408 1.102 1.00 0.00 N ATOM 106 CA ASN A 8 -8.767 10.702 0.598 1.00 0.00 C ATOM 107 C ASN A 8 -8.599 10.736 -0.909 1.00 0.00 C ATOM 108 O ASN A 8 -7.586 10.265 -1.427 1.00 0.00 O ATOM 109 CB ASN A 8 -7.940 11.829 1.221 1.00 0.00 C ATOM 110 CG ASN A 8 -8.333 12.126 2.651 1.00 0.00 C ATOM 111 OD1 ASN A 8 -9.094 13.055 2.924 1.00 0.00 O ATOM 112 ND2 ASN A 8 -7.842 11.315 3.564 1.00 0.00 N ATOM 0 H ASN A 8 -7.329 9.303 1.185 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.814 10.848 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.884 11.559 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.057 12.732 0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.089 11.443 4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.215 10.559 3.290 1.00 0.00 H new ATOM 119 N ASP A 9 -9.581 11.288 -1.614 1.00 0.00 N ATOM 120 CA ASP A 9 -9.463 11.481 -3.060 1.00 0.00 C ATOM 121 C ASP A 9 -8.191 12.249 -3.367 1.00 0.00 C ATOM 122 O ASP A 9 -7.491 11.967 -4.334 1.00 0.00 O ATOM 123 CB ASP A 9 -10.655 12.264 -3.620 1.00 0.00 C ATOM 124 CG ASP A 9 -11.956 11.494 -3.594 1.00 0.00 C ATOM 125 OD1 ASP A 9 -12.683 11.585 -2.582 1.00 0.00 O ATOM 126 OD2 ASP A 9 -12.269 10.810 -4.593 1.00 0.00 O ATOM 0 H ASP A 9 -10.463 11.609 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.440 10.496 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.776 13.183 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.436 12.555 -4.647 1.00 0.00 H new ATOM 131 N ALA A 10 -7.899 13.209 -2.506 1.00 0.00 N ATOM 132 CA ALA A 10 -6.749 14.079 -2.663 1.00 0.00 C ATOM 133 C ALA A 10 -5.433 13.342 -2.432 1.00 0.00 C ATOM 134 O ALA A 10 -4.502 13.486 -3.220 1.00 0.00 O ATOM 135 CB ALA A 10 -6.874 15.244 -1.698 1.00 0.00 C ATOM 0 H ALA A 10 -8.456 13.407 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.734 14.441 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.013 15.903 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.787 15.799 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.912 14.867 -0.676 1.00 0.00 H new ATOM 141 N ASP A 11 -5.356 12.551 -1.363 1.00 0.00 N ATOM 142 CA ASP A 11 -4.097 11.900 -0.989 1.00 0.00 C ATOM 143 C ASP A 11 -3.771 10.777 -1.944 1.00 0.00 C ATOM 144 O ASP A 11 -2.621 10.609 -2.361 1.00 0.00 O ATOM 145 CB ASP A 11 -4.142 11.389 0.459 1.00 0.00 C ATOM 146 CG ASP A 11 -4.582 9.949 0.615 1.00 0.00 C ATOM 147 OD1 ASP A 11 -3.743 9.056 0.463 1.00 0.00 O ATOM 148 OD2 ASP A 11 -5.764 9.717 0.926 1.00 0.00 O ATOM 0 H ASP A 11 -6.141 12.345 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.304 12.646 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.151 11.500 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.818 12.024 1.032 1.00 0.00 H new ATOM 153 N ILE A 12 -4.795 10.032 -2.296 1.00 0.00 N ATOM 154 CA ILE A 12 -4.657 8.948 -3.246 1.00 0.00 C ATOM 155 C ILE A 12 -4.180 9.491 -4.593 1.00 0.00 C ATOM 156 O ILE A 12 -3.324 8.904 -5.247 1.00 0.00 O ATOM 157 CB ILE A 12 -5.994 8.172 -3.386 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.738 6.670 -3.319 1.00 0.00 C ATOM 159 CG2 ILE A 12 -6.749 8.522 -4.664 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.284 6.206 -1.957 1.00 0.00 C ATOM 0 H ILE A 12 -5.741 10.158 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.908 8.246 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.627 8.475 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.651 6.140 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.982 6.403 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.675 7.949 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.980 9.587 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.132 8.280 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.119 5.129 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.355 6.711 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.049 6.443 -1.218 1.00 0.00 H new ATOM 172 N THR A 13 -4.706 10.647 -4.966 1.00 0.00 N ATOM 173 CA THR A 13 -4.357 11.283 -6.219 1.00 0.00 C ATOM 174 C THR A 13 -2.977 11.933 -6.135 1.00 0.00 C ATOM 175 O THR A 13 -2.237 11.945 -7.109 1.00 0.00 O ATOM 176 CB THR A 13 -5.424 12.331 -6.583 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.676 11.676 -6.816 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.037 13.144 -7.803 1.00 0.00 C ATOM 0 H THR A 13 -5.384 11.166 -4.408 1.00 0.00 H new ATOM 0 HA THR A 13 -4.322 10.522 -6.999 1.00 0.00 H new ATOM 0 HB THR A 13 -5.509 13.022 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.153 11.570 -5.966 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.821 13.870 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.101 13.668 -7.609 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.911 12.480 -8.658 1.00 0.00 H new ATOM 186 N ALA A 14 -2.635 12.444 -4.959 1.00 0.00 N ATOM 187 CA ALA A 14 -1.350 13.099 -4.745 1.00 0.00 C ATOM 188 C ALA A 14 -0.199 12.134 -4.990 1.00 0.00 C ATOM 189 O ALA A 14 0.722 12.429 -5.754 1.00 0.00 O ATOM 190 CB ALA A 14 -1.274 13.666 -3.335 1.00 0.00 C ATOM 0 H ALA A 14 -3.234 12.417 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.263 13.918 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.309 14.152 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.072 14.394 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.386 12.858 -2.612 1.00 0.00 H new ATOM 196 N ALA A 15 -0.262 10.976 -4.347 1.00 0.00 N ATOM 197 CA ALA A 15 0.763 9.959 -4.512 1.00 0.00 C ATOM 198 C ALA A 15 0.796 9.451 -5.950 1.00 0.00 C ATOM 199 O ALA A 15 1.865 9.327 -6.546 1.00 0.00 O ATOM 200 CB ALA A 15 0.529 8.816 -3.540 1.00 0.00 C ATOM 0 H ALA A 15 -1.013 10.719 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 15 1.733 10.406 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.303 8.061 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.563 9.194 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.448 8.371 -3.730 1.00 0.00 H new ATOM 206 N LEU A 16 -0.384 9.196 -6.511 1.00 0.00 N ATOM 207 CA LEU A 16 -0.504 8.701 -7.883 1.00 0.00 C ATOM 208 C LEU A 16 -0.067 9.757 -8.900 1.00 0.00 C ATOM 209 O LEU A 16 0.222 9.441 -10.056 1.00 0.00 O ATOM 210 CB LEU A 16 -1.942 8.248 -8.160 1.00 0.00 C ATOM 211 CG LEU A 16 -2.388 7.009 -7.384 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.885 6.811 -7.520 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.643 5.773 -7.867 1.00 0.00 C ATOM 0 H LEU A 16 -1.276 9.325 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 16 0.162 7.845 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.618 9.070 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.045 8.047 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.151 7.161 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.187 5.925 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.405 7.684 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.141 6.682 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.976 4.903 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.846 5.616 -8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.572 5.913 -7.720 1.00 0.00 H new ATOM 225 N ALA A 17 -0.037 11.009 -8.469 1.00 0.00 N ATOM 226 CA ALA A 17 0.429 12.102 -9.309 1.00 0.00 C ATOM 227 C ALA A 17 1.949 12.145 -9.336 1.00 0.00 C ATOM 228 O ALA A 17 2.555 12.490 -10.350 1.00 0.00 O ATOM 229 CB ALA A 17 -0.124 13.429 -8.812 1.00 0.00 C ATOM 0 H ALA A 17 -0.332 11.295 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 17 0.068 11.931 -10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.235 14.235 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.213 13.402 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.210 13.602 -7.789 1.00 0.00 H new ATOM 235 N ALA A 18 2.558 11.787 -8.214 1.00 0.00 N ATOM 236 CA ALA A 18 4.006 11.779 -8.104 1.00 0.00 C ATOM 237 C ALA A 18 4.586 10.561 -8.807 1.00 0.00 C ATOM 238 O ALA A 18 5.657 10.627 -9.408 1.00 0.00 O ATOM 239 CB ALA A 18 4.427 11.804 -6.640 1.00 0.00 C ATOM 0 H ALA A 18 2.069 11.498 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 18 4.396 12.673 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.515 11.798 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.040 12.706 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.028 10.926 -6.132 1.00 0.00 H new ATOM 245 N CYS A 19 3.861 9.452 -8.753 1.00 0.00 N ATOM 246 CA CYS A 19 4.313 8.222 -9.387 1.00 0.00 C ATOM 247 C CYS A 19 3.734 8.091 -10.793 1.00 0.00 C ATOM 248 O CYS A 19 3.571 6.986 -11.309 1.00 0.00 O ATOM 249 CB CYS A 19 3.927 7.009 -8.538 1.00 0.00 C ATOM 250 SG CYS A 19 2.146 6.788 -8.328 1.00 0.00 S ATOM 0 H CYS A 19 2.961 9.379 -8.279 1.00 0.00 H new ATOM 0 HA CYS A 19 5.399 8.261 -9.467 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.341 6.112 -8.997 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.388 7.106 -7.555 1.00 0.00 H new ATOM 0 HG CYS A 19 1.897 5.553 -8.006 1.00 0.00 H new ATOM 256 N LYS A 20 3.421 9.226 -11.410 1.00 0.00 N ATOM 257 CA LYS A 20 2.918 9.236 -12.774 1.00 0.00 C ATOM 258 C LYS A 20 4.078 9.064 -13.751 1.00 0.00 C ATOM 259 O LYS A 20 3.879 8.820 -14.943 1.00 0.00 O ATOM 260 CB LYS A 20 2.167 10.543 -13.052 1.00 0.00 C ATOM 261 CG LYS A 20 1.424 10.542 -14.378 1.00 0.00 C ATOM 262 CD LYS A 20 0.656 11.835 -14.611 1.00 0.00 C ATOM 263 CE LYS A 20 1.584 13.023 -14.824 1.00 0.00 C ATOM 264 NZ LYS A 20 2.447 12.856 -16.023 1.00 0.00 N ATOM 0 H LYS A 20 3.508 10.149 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 20 2.222 8.408 -12.906 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.456 10.723 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.877 11.370 -13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.135 10.393 -15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.731 9.701 -14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.010 11.720 -15.481 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.008 12.030 -13.756 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.990 13.931 -14.930 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.212 13.154 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.870 13.772 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.202 12.171 -15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.874 12.508 -16.818 1.00 0.00 H new ATOM 278 N ALA A 21 5.291 9.194 -13.234 1.00 0.00 N ATOM 279 CA ALA A 21 6.490 8.989 -14.028 1.00 0.00 C ATOM 280 C ALA A 21 6.743 7.498 -14.222 1.00 0.00 C ATOM 281 O ALA A 21 6.835 6.743 -13.250 1.00 0.00 O ATOM 282 CB ALA A 21 7.683 9.660 -13.363 1.00 0.00 C ATOM 0 H ALA A 21 5.470 9.442 -12.261 1.00 0.00 H new ATOM 0 HA ALA A 21 6.347 9.442 -15.009 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.575 9.499 -13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.495 10.730 -13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.835 9.233 -12.372 1.00 0.00 H new ATOM 288 N GLU A 22 6.851 7.091 -15.482 1.00 0.00 N ATOM 289 CA GLU A 22 6.996 5.685 -15.844 1.00 0.00 C ATOM 290 C GLU A 22 8.218 5.060 -15.186 1.00 0.00 C ATOM 291 O GLU A 22 9.355 5.424 -15.489 1.00 0.00 O ATOM 292 CB GLU A 22 7.107 5.541 -17.362 1.00 0.00 C ATOM 293 CG GLU A 22 5.879 6.021 -18.120 1.00 0.00 C ATOM 294 CD GLU A 22 6.071 5.959 -19.620 1.00 0.00 C ATOM 295 OE1 GLU A 22 5.887 4.872 -20.208 1.00 0.00 O ATOM 296 OE2 GLU A 22 6.415 6.995 -20.222 1.00 0.00 O ATOM 0 H GLU A 22 6.841 7.725 -16.281 1.00 0.00 H new ATOM 0 HA GLU A 22 6.109 5.161 -15.487 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.976 6.101 -17.707 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.285 4.494 -17.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.020 5.411 -17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.651 7.046 -17.827 1.00 0.00 H new ATOM 303 N GLY A 23 7.974 4.128 -14.280 1.00 0.00 N ATOM 304 CA GLY A 23 9.055 3.404 -13.643 1.00 0.00 C ATOM 305 C GLY A 23 9.480 4.030 -12.332 1.00 0.00 C ATOM 306 O GLY A 23 10.387 3.534 -11.664 1.00 0.00 O ATOM 0 H GLY A 23 7.040 3.858 -13.972 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.744 2.375 -13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.910 3.367 -14.318 1.00 0.00 H new ATOM 310 N SER A 24 8.824 5.116 -11.956 1.00 0.00 N ATOM 311 CA SER A 24 9.156 5.817 -10.728 1.00 0.00 C ATOM 312 C SER A 24 8.014 5.710 -9.721 1.00 0.00 C ATOM 313 O SER A 24 7.215 6.635 -9.564 1.00 0.00 O ATOM 314 CB SER A 24 9.465 7.283 -11.033 1.00 0.00 C ATOM 315 OG SER A 24 10.503 7.391 -11.992 1.00 0.00 O ATOM 0 H SER A 24 8.057 5.531 -12.485 1.00 0.00 H new ATOM 0 HA SER A 24 10.040 5.354 -10.289 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.568 7.778 -11.404 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.756 7.796 -10.116 1.00 0.00 H new ATOM 0 HG SER A 24 10.683 8.337 -12.174 1.00 0.00 H new ATOM 321 N PHE A 25 7.936 4.576 -9.046 1.00 0.00 N ATOM 322 CA PHE A 25 6.907 4.358 -8.047 1.00 0.00 C ATOM 323 C PHE A 25 7.543 4.208 -6.673 1.00 0.00 C ATOM 324 O PHE A 25 8.218 3.212 -6.397 1.00 0.00 O ATOM 325 CB PHE A 25 6.091 3.105 -8.384 1.00 0.00 C ATOM 326 CG PHE A 25 4.792 3.005 -7.629 1.00 0.00 C ATOM 327 CD1 PHE A 25 4.750 2.464 -6.355 1.00 0.00 C ATOM 328 CD2 PHE A 25 3.612 3.453 -8.200 1.00 0.00 C ATOM 329 CE1 PHE A 25 3.556 2.373 -5.664 1.00 0.00 C ATOM 330 CE2 PHE A 25 2.416 3.364 -7.514 1.00 0.00 C ATOM 331 CZ PHE A 25 2.388 2.823 -6.245 1.00 0.00 C ATOM 0 H PHE A 25 8.575 3.791 -9.173 1.00 0.00 H new ATOM 0 HA PHE A 25 6.238 5.219 -8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.881 3.097 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.693 2.222 -8.171 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.661 2.109 -5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.627 3.877 -9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.537 1.950 -4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.504 3.718 -7.971 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.454 2.752 -5.708 1.00 0.00 H new ATOM 341 N ASP A 26 7.340 5.193 -5.818 1.00 0.00 N ATOM 342 CA ASP A 26 7.868 5.143 -4.465 1.00 0.00 C ATOM 343 C ASP A 26 6.931 4.341 -3.569 1.00 0.00 C ATOM 344 O ASP A 26 6.131 4.898 -2.836 1.00 0.00 O ATOM 345 CB ASP A 26 8.102 6.561 -3.912 1.00 0.00 C ATOM 346 CG ASP A 26 6.915 7.503 -4.087 1.00 0.00 C ATOM 347 OD1 ASP A 26 6.554 7.806 -5.244 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.377 7.995 -3.070 1.00 0.00 O ATOM 0 H ASP A 26 6.813 6.039 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 26 8.835 4.641 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.342 6.490 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.971 6.994 -4.408 1.00 0.00 H new ATOM 353 N HIS A 27 7.052 3.016 -3.649 1.00 0.00 N ATOM 354 CA HIS A 27 6.133 2.093 -2.971 1.00 0.00 C ATOM 355 C HIS A 27 5.999 2.376 -1.485 1.00 0.00 C ATOM 356 O HIS A 27 4.894 2.439 -0.947 1.00 0.00 O ATOM 357 CB HIS A 27 6.558 0.627 -3.196 1.00 0.00 C ATOM 358 CG HIS A 27 7.907 0.246 -2.645 1.00 0.00 C ATOM 359 ND1 HIS A 27 9.066 0.286 -3.391 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.270 -0.214 -1.423 1.00 0.00 C ATOM 361 CE1 HIS A 27 10.078 -0.133 -2.654 1.00 0.00 C ATOM 362 NE2 HIS A 27 9.622 -0.441 -1.456 1.00 0.00 N ATOM 0 H HIS A 27 7.786 2.550 -4.183 1.00 0.00 H new ATOM 0 HA HIS A 27 5.152 2.256 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.806 -0.023 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.554 0.427 -4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.615 -0.373 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.105 -0.210 -2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.184 -0.791 -0.680 1.00 0.00 H new ATOM 371 N LYS A 28 7.117 2.567 -0.840 1.00 0.00 N ATOM 372 CA LYS A 28 7.145 2.710 0.593 1.00 0.00 C ATOM 373 C LYS A 28 6.596 4.064 0.984 1.00 0.00 C ATOM 374 O LYS A 28 5.721 4.176 1.847 1.00 0.00 O ATOM 375 CB LYS A 28 8.573 2.574 1.047 1.00 0.00 C ATOM 376 CG LYS A 28 8.732 2.432 2.553 1.00 0.00 C ATOM 377 CD LYS A 28 10.194 2.338 2.964 1.00 0.00 C ATOM 378 CE LYS A 28 10.339 2.249 4.476 1.00 0.00 C ATOM 379 NZ LYS A 28 11.758 2.100 4.899 1.00 0.00 N ATOM 0 H LYS A 28 8.031 2.628 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 28 6.530 1.944 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.017 1.705 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.134 3.447 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.270 3.286 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.202 1.542 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.648 1.462 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.734 3.210 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.918 3.145 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.761 1.402 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.807 2.043 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.154 1.232 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.306 2.921 4.571 1.00 0.00 H new ATOM 393 N ALA A 29 7.105 5.090 0.317 1.00 0.00 N ATOM 394 CA ALA A 29 6.633 6.438 0.533 1.00 0.00 C ATOM 395 C ALA A 29 5.161 6.538 0.173 1.00 0.00 C ATOM 396 O ALA A 29 4.433 7.311 0.772 1.00 0.00 O ATOM 397 CB ALA A 29 7.455 7.433 -0.264 1.00 0.00 C ATOM 0 H ALA A 29 7.846 5.008 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 29 6.749 6.683 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.080 8.441 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.498 7.373 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.378 7.201 -1.326 1.00 0.00 H new ATOM 403 N PHE A 30 4.733 5.733 -0.794 1.00 0.00 N ATOM 404 CA PHE A 30 3.332 5.675 -1.203 1.00 0.00 C ATOM 405 C PHE A 30 2.435 5.387 -0.011 1.00 0.00 C ATOM 406 O PHE A 30 1.504 6.132 0.265 1.00 0.00 O ATOM 407 CB PHE A 30 3.133 4.604 -2.284 1.00 0.00 C ATOM 408 CG PHE A 30 1.718 4.486 -2.784 1.00 0.00 C ATOM 409 CD1 PHE A 30 1.250 5.326 -3.780 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.859 3.529 -2.263 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.047 5.217 -4.246 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.437 3.415 -2.724 1.00 0.00 C ATOM 413 CZ PHE A 30 -0.892 4.260 -3.718 1.00 0.00 C ATOM 0 H PHE A 30 5.344 5.104 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 30 3.058 6.646 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.787 4.829 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.447 3.639 -1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.906 6.075 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.209 2.865 -1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.400 5.880 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.095 2.666 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.905 4.173 -4.081 1.00 0.00 H new ATOM 423 N PHE A 31 2.735 4.324 0.714 1.00 0.00 N ATOM 424 CA PHE A 31 1.899 3.916 1.835 1.00 0.00 C ATOM 425 C PHE A 31 1.943 4.922 2.980 1.00 0.00 C ATOM 426 O PHE A 31 0.937 5.143 3.655 1.00 0.00 O ATOM 427 CB PHE A 31 2.303 2.530 2.320 1.00 0.00 C ATOM 428 CG PHE A 31 2.083 1.474 1.281 1.00 0.00 C ATOM 429 CD1 PHE A 31 0.809 1.217 0.801 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.146 0.755 0.766 1.00 0.00 C ATOM 431 CE1 PHE A 31 0.599 0.260 -0.169 1.00 0.00 C ATOM 432 CE2 PHE A 31 2.943 -0.202 -0.206 1.00 0.00 C ATOM 433 CZ PHE A 31 1.668 -0.451 -0.675 1.00 0.00 C ATOM 0 H PHE A 31 3.547 3.729 0.550 1.00 0.00 H new ATOM 0 HA PHE A 31 0.869 3.881 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.355 2.541 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.732 2.280 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.030 1.773 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.145 0.945 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.400 0.067 -0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.781 -0.757 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.508 -1.200 -1.436 1.00 0.00 H new ATOM 443 N THR A 32 3.087 5.548 3.193 1.00 0.00 N ATOM 444 CA THR A 32 3.217 6.503 4.282 1.00 0.00 C ATOM 445 C THR A 32 2.663 7.886 3.895 1.00 0.00 C ATOM 446 O THR A 32 2.234 8.652 4.758 1.00 0.00 O ATOM 447 CB THR A 32 4.679 6.596 4.787 1.00 0.00 C ATOM 448 OG1 THR A 32 4.808 7.610 5.788 1.00 0.00 O ATOM 449 CG2 THR A 32 5.648 6.863 3.649 1.00 0.00 C ATOM 0 H THR A 32 3.930 5.416 2.635 1.00 0.00 H new ATOM 0 HA THR A 32 2.611 6.133 5.109 1.00 0.00 H new ATOM 0 HB THR A 32 4.931 5.631 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.738 7.651 6.094 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.663 6.922 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.587 6.054 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.391 7.806 3.166 1.00 0.00 H new ATOM 457 N LYS A 33 2.633 8.183 2.598 1.00 0.00 N ATOM 458 CA LYS A 33 2.065 9.436 2.102 1.00 0.00 C ATOM 459 C LYS A 33 0.558 9.281 1.913 1.00 0.00 C ATOM 460 O LYS A 33 -0.190 10.259 1.891 1.00 0.00 O ATOM 461 CB LYS A 33 2.742 9.834 0.776 1.00 0.00 C ATOM 462 CG LYS A 33 2.254 9.056 -0.437 1.00 0.00 C ATOM 463 CD LYS A 33 3.310 8.954 -1.536 1.00 0.00 C ATOM 464 CE LYS A 33 3.832 10.304 -1.990 1.00 0.00 C ATOM 465 NZ LYS A 33 4.778 10.165 -3.133 1.00 0.00 N ATOM 0 H LYS A 33 2.997 7.571 1.868 1.00 0.00 H new ATOM 0 HA LYS A 33 2.245 10.227 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.575 10.897 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.818 9.692 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.961 8.053 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.363 9.539 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.144 8.352 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.885 8.429 -2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.996 10.939 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.333 10.800 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.232 11.081 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.505 9.460 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.257 9.857 -3.979 1.00 0.00 H new ATOM 479 N VAL A 34 0.133 8.035 1.779 1.00 0.00 N ATOM 480 CA VAL A 34 -1.268 7.697 1.585 1.00 0.00 C ATOM 481 C VAL A 34 -1.953 7.461 2.938 1.00 0.00 C ATOM 482 O VAL A 34 -3.181 7.471 3.050 1.00 0.00 O ATOM 483 CB VAL A 34 -1.371 6.443 0.673 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.870 5.215 1.417 1.00 0.00 C ATOM 485 CG2 VAL A 34 -2.225 6.728 -0.542 1.00 0.00 C ATOM 0 H VAL A 34 0.753 7.226 1.802 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.781 8.526 1.098 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.359 6.213 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.922 4.370 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.185 4.980 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.862 5.414 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.282 5.835 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.228 7.012 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.782 7.542 -1.115 1.00 0.00 H new ATOM 495 N GLY A 35 -1.142 7.252 3.971 1.00 0.00 N ATOM 496 CA GLY A 35 -1.671 7.088 5.313 1.00 0.00 C ATOM 497 C GLY A 35 -1.953 5.639 5.669 1.00 0.00 C ATOM 498 O GLY A 35 -2.524 5.353 6.723 1.00 0.00 O ATOM 0 H GLY A 35 -0.126 7.193 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.961 7.501 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.591 7.665 5.407 1.00 0.00 H new ATOM 502 N LEU A 36 -1.530 4.720 4.812 1.00 0.00 N ATOM 503 CA LEU A 36 -1.795 3.301 5.026 1.00 0.00 C ATOM 504 C LEU A 36 -0.708 2.678 5.894 1.00 0.00 C ATOM 505 O LEU A 36 -0.665 1.470 6.087 1.00 0.00 O ATOM 506 CB LEU A 36 -1.899 2.558 3.691 1.00 0.00 C ATOM 507 CG LEU A 36 -2.556 1.177 3.766 1.00 0.00 C ATOM 508 CD1 LEU A 36 -4.038 1.304 4.086 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.356 0.415 2.468 1.00 0.00 C ATOM 0 H LEU A 36 -1.003 4.929 3.964 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.750 3.210 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.465 3.175 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.897 2.445 3.277 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.077 0.617 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.486 0.312 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.161 1.805 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.530 1.886 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.831 -0.563 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.804 0.973 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.290 0.287 2.282 1.00 0.00 H new ATOM 521 N ALA A 37 0.175 3.511 6.412 1.00 0.00 N ATOM 522 CA ALA A 37 1.154 3.063 7.387 1.00 0.00 C ATOM 523 C ALA A 37 0.613 3.294 8.795 1.00 0.00 C ATOM 524 O ALA A 37 1.122 2.743 9.768 1.00 0.00 O ATOM 525 CB ALA A 37 2.471 3.796 7.181 1.00 0.00 C ATOM 0 H ALA A 37 0.235 4.501 6.175 1.00 0.00 H new ATOM 0 HA ALA A 37 1.338 1.997 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.198 3.452 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.847 3.594 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.313 4.868 7.300 1.00 0.00 H new ATOM 531 N ALA A 38 -0.448 4.098 8.883 1.00 0.00 N ATOM 532 CA ALA A 38 -1.067 4.438 10.161 1.00 0.00 C ATOM 533 C ALA A 38 -2.554 4.088 10.149 1.00 0.00 C ATOM 534 O ALA A 38 -3.376 4.757 10.776 1.00 0.00 O ATOM 535 CB ALA A 38 -0.870 5.919 10.460 1.00 0.00 C ATOM 0 H ALA A 38 -0.898 4.528 8.075 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.587 3.855 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.335 6.162 11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.196 6.142 10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.330 6.514 9.671 1.00 0.00 H new ATOM 541 N LYS A 39 -2.885 3.041 9.412 1.00 0.00 N ATOM 542 CA LYS A 39 -4.256 2.551 9.307 1.00 0.00 C ATOM 543 C LYS A 39 -4.614 1.624 10.461 1.00 0.00 C ATOM 544 O LYS A 39 -3.794 1.360 11.342 1.00 0.00 O ATOM 545 CB LYS A 39 -4.439 1.804 7.980 1.00 0.00 C ATOM 546 CG LYS A 39 -3.221 0.995 7.540 1.00 0.00 C ATOM 547 CD LYS A 39 -2.723 0.025 8.604 1.00 0.00 C ATOM 548 CE LYS A 39 -1.268 -0.344 8.359 1.00 0.00 C ATOM 549 NZ LYS A 39 -0.701 -1.174 9.452 1.00 0.00 N ATOM 0 H LYS A 39 -2.211 2.503 8.867 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.920 3.414 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.293 1.133 8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.681 2.526 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.471 0.436 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.415 1.680 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.827 0.476 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.337 -0.875 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.187 -0.886 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.678 0.567 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.292 -1.399 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.752 -0.649 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.245 -2.056 9.536 1.00 0.00 H new ATOM 563 N SER A 40 -5.845 1.142 10.447 1.00 0.00 N ATOM 564 CA SER A 40 -6.281 0.112 11.369 1.00 0.00 C ATOM 565 C SER A 40 -6.281 -1.238 10.644 1.00 0.00 C ATOM 566 O SER A 40 -6.408 -1.270 9.418 1.00 0.00 O ATOM 567 CB SER A 40 -7.676 0.446 11.899 1.00 0.00 C ATOM 568 OG SER A 40 -7.724 1.780 12.390 1.00 0.00 O ATOM 0 H SER A 40 -6.567 1.454 9.798 1.00 0.00 H new ATOM 0 HA SER A 40 -5.600 0.059 12.218 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.412 0.319 11.105 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.944 -0.249 12.695 1.00 0.00 H new ATOM 0 HG SER A 40 -8.625 1.974 12.723 1.00 0.00 H new ATOM 574 N PRO A 41 -6.115 -2.358 11.373 1.00 0.00 N ATOM 575 CA PRO A 41 -5.997 -3.701 10.775 1.00 0.00 C ATOM 576 C PRO A 41 -7.031 -3.990 9.683 1.00 0.00 C ATOM 577 O PRO A 41 -6.684 -4.486 8.604 1.00 0.00 O ATOM 578 CB PRO A 41 -6.210 -4.628 11.970 1.00 0.00 C ATOM 579 CG PRO A 41 -5.701 -3.856 13.135 1.00 0.00 C ATOM 580 CD PRO A 41 -6.013 -2.411 12.847 1.00 0.00 C ATOM 0 HA PRO A 41 -5.040 -3.824 10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.263 -4.883 12.092 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.667 -5.565 11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.181 -4.182 14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.629 -4.005 13.263 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.943 -2.100 13.324 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.229 -1.751 13.218 1.00 0.00 H new ATOM 588 N ALA A 42 -8.288 -3.663 9.957 1.00 0.00 N ATOM 589 CA ALA A 42 -9.382 -3.957 9.036 1.00 0.00 C ATOM 590 C ALA A 42 -9.237 -3.204 7.717 1.00 0.00 C ATOM 591 O ALA A 42 -9.613 -3.716 6.654 1.00 0.00 O ATOM 592 CB ALA A 42 -10.710 -3.623 9.688 1.00 0.00 C ATOM 0 H ALA A 42 -8.577 -3.192 10.814 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.346 -5.022 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.522 -3.845 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.832 -4.219 10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.733 -2.564 9.946 1.00 0.00 H new ATOM 598 N ASP A 43 -8.675 -2.002 7.780 1.00 0.00 N ATOM 599 CA ASP A 43 -8.493 -1.188 6.586 1.00 0.00 C ATOM 600 C ASP A 43 -7.553 -1.888 5.629 1.00 0.00 C ATOM 601 O ASP A 43 -7.842 -2.029 4.448 1.00 0.00 O ATOM 602 CB ASP A 43 -7.933 0.197 6.928 1.00 0.00 C ATOM 603 CG ASP A 43 -8.884 1.030 7.759 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.858 1.572 7.201 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.658 1.152 8.980 1.00 0.00 O ATOM 0 H ASP A 43 -8.339 -1.572 8.642 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.470 -1.054 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.994 0.080 7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.705 0.729 6.004 1.00 0.00 H new ATOM 610 N ILE A 44 -6.434 -2.353 6.155 1.00 0.00 N ATOM 611 CA ILE A 44 -5.454 -3.054 5.350 1.00 0.00 C ATOM 612 C ILE A 44 -6.022 -4.359 4.785 1.00 0.00 C ATOM 613 O ILE A 44 -5.615 -4.801 3.711 1.00 0.00 O ATOM 614 CB ILE A 44 -4.162 -3.308 6.163 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.008 -2.539 5.524 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.836 -4.790 6.283 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.647 -2.872 6.096 1.00 0.00 C ATOM 0 H ILE A 44 -6.182 -2.257 7.139 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.201 -2.419 4.501 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.321 -2.949 7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.999 -2.743 4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.188 -1.471 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.921 -4.916 6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.656 -5.304 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.697 -5.214 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.884 -2.283 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.633 -2.641 7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.442 -3.933 5.952 1.00 0.00 H new ATOM 629 N LYS A 45 -6.985 -4.955 5.487 1.00 0.00 N ATOM 630 CA LYS A 45 -7.581 -6.211 5.042 1.00 0.00 C ATOM 631 C LYS A 45 -8.317 -6.017 3.718 1.00 0.00 C ATOM 632 O LYS A 45 -8.153 -6.803 2.779 1.00 0.00 O ATOM 633 CB LYS A 45 -8.546 -6.766 6.094 1.00 0.00 C ATOM 634 CG LYS A 45 -9.069 -8.156 5.758 1.00 0.00 C ATOM 635 CD LYS A 45 -7.986 -9.212 5.927 1.00 0.00 C ATOM 636 CE LYS A 45 -8.395 -10.550 5.324 1.00 0.00 C ATOM 637 NZ LYS A 45 -9.656 -11.078 5.910 1.00 0.00 N ATOM 0 H LYS A 45 -7.366 -4.590 6.360 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.773 -6.929 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.040 -6.799 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.389 -6.084 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.915 -8.394 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.436 -8.170 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.066 -8.867 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.770 -9.343 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.518 -10.437 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.595 -11.274 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.854 -12.020 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.556 -11.149 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.441 -10.435 5.682 1.00 0.00 H new ATOM 651 N LYS A 46 -9.117 -4.961 3.628 1.00 0.00 N ATOM 652 CA LYS A 46 -9.847 -4.699 2.396 1.00 0.00 C ATOM 653 C LYS A 46 -8.897 -4.213 1.309 1.00 0.00 C ATOM 654 O LYS A 46 -9.169 -4.369 0.123 1.00 0.00 O ATOM 655 CB LYS A 46 -11.020 -3.722 2.616 1.00 0.00 C ATOM 656 CG LYS A 46 -10.687 -2.433 3.367 1.00 0.00 C ATOM 657 CD LYS A 46 -9.969 -1.400 2.499 1.00 0.00 C ATOM 658 CE LYS A 46 -10.798 -0.962 1.303 1.00 0.00 C ATOM 659 NZ LYS A 46 -12.125 -0.420 1.697 1.00 0.00 N ATOM 0 H LYS A 46 -9.274 -4.286 4.376 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.290 -5.637 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.432 -3.456 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.805 -4.245 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.608 -1.997 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.062 -2.672 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.725 -0.528 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.026 -1.819 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.251 -0.203 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.940 -1.810 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.868 -1.100 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.144 -0.260 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.293 0.480 1.204 1.00 0.00 H new ATOM 673 N VAL A 47 -7.769 -3.645 1.716 1.00 0.00 N ATOM 674 CA VAL A 47 -6.739 -3.272 0.762 1.00 0.00 C ATOM 675 C VAL A 47 -6.136 -4.530 0.145 1.00 0.00 C ATOM 676 O VAL A 47 -5.817 -4.568 -1.048 1.00 0.00 O ATOM 677 CB VAL A 47 -5.632 -2.409 1.401 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.596 -2.025 0.363 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.223 -1.161 2.033 1.00 0.00 C ATOM 0 H VAL A 47 -7.548 -3.435 2.689 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.208 -2.666 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.148 -2.998 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.822 -1.416 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.147 -2.927 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.074 -1.456 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.426 -0.566 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.732 -0.573 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.936 -1.447 2.806 1.00 0.00 H new ATOM 689 N PHE A 48 -6.023 -5.569 0.967 1.00 0.00 N ATOM 690 CA PHE A 48 -5.570 -6.872 0.506 1.00 0.00 C ATOM 691 C PHE A 48 -6.474 -7.397 -0.598 1.00 0.00 C ATOM 692 O PHE A 48 -6.006 -8.002 -1.559 1.00 0.00 O ATOM 693 CB PHE A 48 -5.537 -7.879 1.656 1.00 0.00 C ATOM 694 CG PHE A 48 -4.458 -7.633 2.675 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.314 -6.919 2.352 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.587 -8.136 3.959 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.324 -6.712 3.291 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.598 -7.935 4.900 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.465 -7.222 4.566 1.00 0.00 C ATOM 0 H PHE A 48 -6.241 -5.530 1.963 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.560 -6.749 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.504 -7.867 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.406 -8.879 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.196 -6.521 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.473 -8.693 4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.439 -6.151 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.711 -8.335 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.690 -7.063 5.301 1.00 0.00 H new ATOM 709 N GLU A 49 -7.773 -7.163 -0.460 1.00 0.00 N ATOM 710 CA GLU A 49 -8.711 -7.596 -1.484 1.00 0.00 C ATOM 711 C GLU A 49 -8.670 -6.651 -2.689 1.00 0.00 C ATOM 712 O GLU A 49 -9.201 -6.968 -3.748 1.00 0.00 O ATOM 713 CB GLU A 49 -10.137 -7.727 -0.922 1.00 0.00 C ATOM 714 CG GLU A 49 -10.965 -6.455 -0.954 1.00 0.00 C ATOM 715 CD GLU A 49 -12.411 -6.702 -0.575 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.705 -6.835 0.633 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.265 -6.769 -1.486 1.00 0.00 O ATOM 0 H GLU A 49 -8.194 -6.685 0.336 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.406 -8.587 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.663 -8.498 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.073 -8.074 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.532 -5.725 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.922 -6.021 -1.953 1.00 0.00 H new ATOM 724 N ILE A 50 -8.054 -5.479 -2.523 1.00 0.00 N ATOM 725 CA ILE A 50 -7.913 -4.535 -3.633 1.00 0.00 C ATOM 726 C ILE A 50 -6.896 -5.015 -4.678 1.00 0.00 C ATOM 727 O ILE A 50 -7.191 -4.957 -5.873 1.00 0.00 O ATOM 728 CB ILE A 50 -7.514 -3.119 -3.169 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.491 -2.593 -2.125 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.488 -2.167 -4.353 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.090 -1.250 -1.563 1.00 0.00 C ATOM 0 H ILE A 50 -7.649 -5.163 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.903 -4.488 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.520 -3.180 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.482 -2.512 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.566 -3.313 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.205 -1.171 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.763 -2.519 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.477 -2.127 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.826 -0.930 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.112 -1.331 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.042 -0.518 -2.369 1.00 0.00 H new ATOM 743 N ILE A 51 -5.706 -5.494 -4.248 1.00 0.00 N ATOM 744 CA ILE A 51 -4.687 -5.972 -5.217 1.00 0.00 C ATOM 745 C ILE A 51 -5.243 -7.142 -6.007 1.00 0.00 C ATOM 746 O ILE A 51 -4.774 -7.460 -7.101 1.00 0.00 O ATOM 747 CB ILE A 51 -3.307 -6.378 -4.591 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.475 -6.989 -3.187 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.375 -5.172 -4.549 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.371 -5.976 -2.062 1.00 0.00 C ATOM 0 H ILE A 51 -5.431 -5.560 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.478 -5.116 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.863 -7.145 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.445 -7.483 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.716 -7.758 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.420 -5.465 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.213 -4.802 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.825 -4.386 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.500 -6.481 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.392 -5.499 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.147 -5.220 -2.180 1.00 0.00 H new ATOM 762 N ASP A 52 -6.260 -7.766 -5.442 1.00 0.00 N ATOM 763 CA ASP A 52 -7.000 -8.804 -6.123 1.00 0.00 C ATOM 764 C ASP A 52 -8.332 -8.231 -6.584 1.00 0.00 C ATOM 765 O ASP A 52 -9.356 -8.478 -5.954 1.00 0.00 O ATOM 766 CB ASP A 52 -7.262 -9.968 -5.167 1.00 0.00 C ATOM 767 CG ASP A 52 -7.449 -11.310 -5.852 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.550 -11.385 -7.105 1.00 0.00 O ATOM 769 OD2 ASP A 52 -7.505 -12.315 -5.136 1.00 0.00 O ATOM 0 H ASP A 52 -6.593 -7.566 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.425 -9.163 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.429 -10.043 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.153 -9.746 -4.579 1.00 0.00 H new ATOM 774 N GLN A 53 -8.327 -7.447 -7.662 1.00 0.00 N ATOM 775 CA GLN A 53 -9.553 -6.788 -8.123 1.00 0.00 C ATOM 776 C GLN A 53 -10.651 -7.820 -8.380 1.00 0.00 C ATOM 777 O GLN A 53 -11.826 -7.592 -8.088 1.00 0.00 O ATOM 778 CB GLN A 53 -9.296 -5.951 -9.387 1.00 0.00 C ATOM 779 CG GLN A 53 -8.981 -6.770 -10.629 1.00 0.00 C ATOM 780 CD GLN A 53 -8.869 -5.921 -11.878 1.00 0.00 C ATOM 781 OE1 GLN A 53 -7.789 -5.463 -12.238 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.991 -5.698 -12.545 1.00 0.00 N ATOM 0 H GLN A 53 -7.500 -7.253 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.885 -6.112 -7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.174 -5.336 -9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.466 -5.271 -9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.046 -7.309 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.760 -7.519 -10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.869 -6.097 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.977 -5.128 -13.391 1.00 0.00 H new ATOM 791 N ASP A 54 -10.239 -8.963 -8.898 1.00 0.00 N ATOM 792 CA ASP A 54 -11.146 -10.086 -9.145 1.00 0.00 C ATOM 793 C ASP A 54 -11.438 -10.854 -7.852 1.00 0.00 C ATOM 794 O ASP A 54 -12.442 -11.560 -7.749 1.00 0.00 O ATOM 795 CB ASP A 54 -10.530 -11.019 -10.190 1.00 0.00 C ATOM 796 CG ASP A 54 -11.178 -12.387 -10.234 1.00 0.00 C ATOM 797 OD1 ASP A 54 -12.311 -12.494 -10.746 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.555 -13.363 -9.759 1.00 0.00 O ATOM 0 H ASP A 54 -9.271 -9.146 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.092 -9.694 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.612 -10.555 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.467 -11.136 -9.980 1.00 0.00 H new ATOM 803 N LYS A 55 -10.565 -10.676 -6.868 1.00 0.00 N ATOM 804 CA LYS A 55 -10.692 -11.323 -5.566 1.00 0.00 C ATOM 805 C LYS A 55 -10.754 -12.842 -5.716 1.00 0.00 C ATOM 806 O LYS A 55 -11.745 -13.495 -5.399 1.00 0.00 O ATOM 807 CB LYS A 55 -11.885 -10.748 -4.798 1.00 0.00 C ATOM 808 CG LYS A 55 -12.037 -11.279 -3.380 1.00 0.00 C ATOM 809 CD LYS A 55 -12.794 -10.298 -2.496 1.00 0.00 C ATOM 810 CE LYS A 55 -14.125 -9.892 -3.106 1.00 0.00 C ATOM 811 NZ LYS A 55 -14.829 -8.880 -2.276 1.00 0.00 N ATOM 0 H LYS A 55 -9.744 -10.076 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.803 -11.110 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.786 -9.663 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.797 -10.965 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.564 -12.233 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.052 -11.469 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.966 -10.749 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.183 -9.410 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.959 -9.490 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.757 -10.773 -3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.511 -8.362 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.333 -9.356 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.136 -8.213 -1.880 1.00 0.00 H new ATOM 825 N SER A 56 -9.657 -13.377 -6.226 1.00 0.00 N ATOM 826 CA SER A 56 -9.484 -14.800 -6.447 1.00 0.00 C ATOM 827 C SER A 56 -8.824 -15.445 -5.227 1.00 0.00 C ATOM 828 O SER A 56 -8.522 -16.640 -5.230 1.00 0.00 O ATOM 829 CB SER A 56 -8.589 -14.992 -7.674 1.00 0.00 C ATOM 830 OG SER A 56 -8.385 -13.752 -8.356 1.00 0.00 O ATOM 0 H SER A 56 -8.847 -12.822 -6.503 1.00 0.00 H new ATOM 0 HA SER A 56 -10.454 -15.270 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.628 -15.405 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.044 -15.714 -8.352 1.00 0.00 H new ATOM 0 HG SER A 56 -9.227 -13.460 -8.763 1.00 0.00 H new ATOM 836 N ASP A 57 -8.592 -14.616 -4.201 1.00 0.00 N ATOM 837 CA ASP A 57 -7.811 -14.982 -3.011 1.00 0.00 C ATOM 838 C ASP A 57 -6.328 -15.003 -3.355 1.00 0.00 C ATOM 839 O ASP A 57 -5.474 -15.322 -2.525 1.00 0.00 O ATOM 840 CB ASP A 57 -8.255 -16.319 -2.405 1.00 0.00 C ATOM 841 CG ASP A 57 -9.549 -16.194 -1.630 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.503 -15.731 -0.467 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.617 -16.552 -2.177 1.00 0.00 O ATOM 0 H ASP A 57 -8.946 -13.660 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.993 -14.224 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.380 -17.053 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.473 -16.694 -1.745 1.00 0.00 H new ATOM 848 N PHE A 58 -6.048 -14.624 -4.593 1.00 0.00 N ATOM 849 CA PHE A 58 -4.702 -14.522 -5.121 1.00 0.00 C ATOM 850 C PHE A 58 -4.677 -13.405 -6.145 1.00 0.00 C ATOM 851 O PHE A 58 -5.542 -13.339 -7.030 1.00 0.00 O ATOM 852 CB PHE A 58 -4.247 -15.841 -5.759 1.00 0.00 C ATOM 853 CG PHE A 58 -4.027 -16.948 -4.768 1.00 0.00 C ATOM 854 CD1 PHE A 58 -2.849 -17.017 -4.040 1.00 0.00 C ATOM 855 CD2 PHE A 58 -4.997 -17.915 -4.558 1.00 0.00 C ATOM 856 CE1 PHE A 58 -2.644 -18.028 -3.121 1.00 0.00 C ATOM 857 CE2 PHE A 58 -4.796 -18.929 -3.641 1.00 0.00 C ATOM 858 CZ PHE A 58 -3.619 -18.984 -2.922 1.00 0.00 C ATOM 0 H PHE A 58 -6.768 -14.374 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.012 -14.306 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.994 -16.159 -6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.322 -15.668 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.083 -16.272 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.920 -17.876 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.722 -18.070 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.559 -19.678 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.461 -19.775 -2.204 1.00 0.00 H new ATOM 868 N VAL A 59 -3.720 -12.508 -6.007 1.00 0.00 N ATOM 869 CA VAL A 59 -3.658 -11.355 -6.878 1.00 0.00 C ATOM 870 C VAL A 59 -2.837 -11.680 -8.120 1.00 0.00 C ATOM 871 O VAL A 59 -1.731 -12.214 -8.043 1.00 0.00 O ATOM 872 CB VAL A 59 -3.109 -10.100 -6.149 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.459 -10.141 -4.671 1.00 0.00 C ATOM 874 CG2 VAL A 59 -1.627 -9.925 -6.339 1.00 0.00 C ATOM 0 H VAL A 59 -2.981 -12.556 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.675 -11.114 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.592 -9.234 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.065 -9.252 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.542 -10.170 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.021 -11.031 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.295 -9.033 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.104 -10.797 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.406 -9.819 -7.401 1.00 0.00 H new ATOM 884 N GLU A 60 -3.433 -11.430 -9.257 1.00 0.00 N ATOM 885 CA GLU A 60 -2.778 -11.611 -10.536 1.00 0.00 C ATOM 886 C GLU A 60 -2.146 -10.288 -10.967 1.00 0.00 C ATOM 887 O GLU A 60 -2.519 -9.237 -10.445 1.00 0.00 O ATOM 888 CB GLU A 60 -3.790 -12.107 -11.578 1.00 0.00 C ATOM 889 CG GLU A 60 -4.218 -13.571 -11.415 1.00 0.00 C ATOM 890 CD GLU A 60 -4.760 -13.926 -10.035 1.00 0.00 C ATOM 891 OE1 GLU A 60 -5.848 -13.424 -9.646 1.00 0.00 O ATOM 892 OE2 GLU A 60 -4.108 -14.721 -9.330 1.00 0.00 O ATOM 0 H GLU A 60 -4.393 -11.093 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.993 -12.362 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.678 -11.476 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.360 -11.977 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.981 -13.797 -12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.363 -14.212 -11.630 1.00 0.00 H new ATOM 899 N GLU A 61 -1.204 -10.312 -11.898 1.00 0.00 N ATOM 900 CA GLU A 61 -0.527 -9.080 -12.292 1.00 0.00 C ATOM 901 C GLU A 61 -1.482 -8.157 -13.041 1.00 0.00 C ATOM 902 O GLU A 61 -1.482 -6.943 -12.823 1.00 0.00 O ATOM 903 CB GLU A 61 0.709 -9.361 -13.144 1.00 0.00 C ATOM 904 CG GLU A 61 1.572 -8.123 -13.341 1.00 0.00 C ATOM 905 CD GLU A 61 2.740 -8.347 -14.274 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.547 -8.240 -15.500 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.861 -8.595 -13.790 1.00 0.00 O ATOM 0 H GLU A 61 -0.894 -11.151 -12.388 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.198 -8.585 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.303 -10.143 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.397 -9.742 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.953 -7.316 -13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.948 -7.794 -12.372 1.00 0.00 H new ATOM 914 N ASP A 62 -2.311 -8.732 -13.904 1.00 0.00 N ATOM 915 CA ASP A 62 -3.296 -7.951 -14.650 1.00 0.00 C ATOM 916 C ASP A 62 -4.324 -7.356 -13.694 1.00 0.00 C ATOM 917 O ASP A 62 -4.918 -6.311 -13.969 1.00 0.00 O ATOM 918 CB ASP A 62 -3.997 -8.806 -15.709 1.00 0.00 C ATOM 919 CG ASP A 62 -4.870 -9.885 -15.106 1.00 0.00 C ATOM 920 OD1 ASP A 62 -4.347 -10.981 -14.817 1.00 0.00 O ATOM 921 OD2 ASP A 62 -6.079 -9.640 -14.914 1.00 0.00 O ATOM 0 H ASP A 62 -2.323 -9.732 -14.106 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.770 -7.145 -15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.607 -8.163 -16.343 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.247 -9.268 -16.351 1.00 0.00 H new ATOM 926 N GLU A 63 -4.520 -8.030 -12.567 1.00 0.00 N ATOM 927 CA GLU A 63 -5.376 -7.522 -11.508 1.00 0.00 C ATOM 928 C GLU A 63 -4.705 -6.360 -10.808 1.00 0.00 C ATOM 929 O GLU A 63 -5.328 -5.341 -10.552 1.00 0.00 O ATOM 930 CB GLU A 63 -5.674 -8.605 -10.480 1.00 0.00 C ATOM 931 CG GLU A 63 -6.606 -9.692 -10.968 1.00 0.00 C ATOM 932 CD GLU A 63 -6.774 -10.777 -9.936 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.960 -10.867 -9.010 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.704 -11.585 -10.023 1.00 0.00 O ATOM 0 H GLU A 63 -4.094 -8.934 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.310 -7.195 -11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.734 -9.062 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.110 -8.139 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.578 -9.260 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.215 -10.122 -11.890 1.00 0.00 H new ATOM 941 N LEU A 64 -3.425 -6.525 -10.505 1.00 0.00 N ATOM 942 CA LEU A 64 -2.672 -5.500 -9.811 1.00 0.00 C ATOM 943 C LEU A 64 -2.493 -4.273 -10.698 1.00 0.00 C ATOM 944 O LEU A 64 -2.170 -3.189 -10.227 1.00 0.00 O ATOM 945 CB LEU A 64 -1.321 -6.026 -9.360 1.00 0.00 C ATOM 946 CG LEU A 64 -0.848 -5.436 -8.038 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.436 -6.546 -7.098 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.289 -4.447 -8.250 1.00 0.00 C ATOM 0 H LEU A 64 -2.889 -7.363 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.237 -5.211 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.376 -7.111 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.581 -5.810 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.675 -4.886 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.099 -6.117 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.287 -7.202 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.375 -7.120 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.604 -4.043 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.129 -4.955 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.051 -3.633 -8.891 1.00 0.00 H new ATOM 960 N LYS A 65 -2.670 -4.461 -11.993 1.00 0.00 N ATOM 961 CA LYS A 65 -2.670 -3.346 -12.921 1.00 0.00 C ATOM 962 C LYS A 65 -3.832 -2.413 -12.621 1.00 0.00 C ATOM 963 O LYS A 65 -3.652 -1.214 -12.432 1.00 0.00 O ATOM 964 CB LYS A 65 -2.776 -3.842 -14.365 1.00 0.00 C ATOM 965 CG LYS A 65 -1.509 -3.657 -15.185 1.00 0.00 C ATOM 966 CD LYS A 65 -0.335 -4.411 -14.586 1.00 0.00 C ATOM 967 CE LYS A 65 0.845 -4.441 -15.543 1.00 0.00 C ATOM 968 NZ LYS A 65 1.891 -5.406 -15.119 1.00 0.00 N ATOM 0 H LYS A 65 -2.815 -5.374 -12.425 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.731 -2.806 -12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.037 -4.900 -14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.594 -3.317 -14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.682 -4.003 -16.204 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.267 -2.596 -15.246 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.036 -3.939 -13.650 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.638 -5.430 -14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.494 -4.704 -16.541 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.280 -3.444 -15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.831 -5.015 -15.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.811 -5.578 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.765 -6.302 -15.632 1.00 0.00 H new ATOM 982 N LEU A 66 -5.027 -2.972 -12.574 1.00 0.00 N ATOM 983 CA LEU A 66 -6.229 -2.173 -12.422 1.00 0.00 C ATOM 984 C LEU A 66 -6.742 -2.188 -10.987 1.00 0.00 C ATOM 985 O LEU A 66 -7.808 -1.640 -10.696 1.00 0.00 O ATOM 986 CB LEU A 66 -7.293 -2.651 -13.404 1.00 0.00 C ATOM 987 CG LEU A 66 -6.801 -2.748 -14.851 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.940 -3.109 -15.788 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.136 -1.444 -15.277 1.00 0.00 C ATOM 0 H LEU A 66 -5.191 -3.977 -12.639 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.984 -1.136 -12.651 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.654 -3.629 -13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.143 -1.970 -13.364 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.059 -3.544 -14.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.565 -3.172 -16.809 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.360 -4.071 -15.496 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.714 -2.343 -15.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.792 -1.531 -16.308 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.854 -0.628 -15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.285 -1.240 -14.627 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.976 -2.805 -10.089 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.320 -2.819 -8.667 1.00 0.00 C ATOM 1003 C PHE A 67 -6.402 -1.378 -8.169 1.00 0.00 C ATOM 1004 O PHE A 67 -7.112 -1.064 -7.219 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.281 -3.612 -7.851 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.260 -2.779 -7.105 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.148 -2.269 -7.749 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.414 -2.517 -5.751 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -2.213 -1.516 -7.066 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.482 -1.765 -5.061 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.381 -1.263 -5.719 1.00 0.00 C ATOM 0 H PHE A 67 -5.115 -3.301 -10.319 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.283 -3.313 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.811 -4.236 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.751 -4.284 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.008 -2.462 -8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.275 -2.907 -5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.351 -1.125 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.617 -1.571 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.652 -0.674 -5.183 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.665 -0.509 -8.848 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.651 0.909 -8.544 1.00 0.00 C ATOM 1023 C LEU A 68 -7.025 1.510 -8.765 1.00 0.00 C ATOM 1024 O LEU A 68 -7.522 2.252 -7.925 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.629 1.612 -9.430 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.226 1.019 -9.379 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.592 1.062 -10.755 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.367 1.764 -8.369 1.00 0.00 C ATOM 0 H LEU A 68 -5.060 -0.772 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.377 1.043 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.983 1.585 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.576 2.661 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.298 -0.021 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.590 0.636 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.199 0.485 -11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.531 2.096 -11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.369 1.326 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.297 2.813 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.819 1.687 -7.380 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.644 1.157 -9.883 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.985 1.633 -10.194 1.00 0.00 C ATOM 1042 C GLN A 69 -9.996 0.931 -9.301 1.00 0.00 C ATOM 1043 O GLN A 69 -11.145 1.354 -9.186 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.325 1.388 -11.664 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.338 2.016 -12.633 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.807 1.924 -14.070 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.473 2.828 -14.579 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.480 0.830 -14.730 1.00 0.00 N ATOM 0 H GLN A 69 -7.239 0.543 -10.590 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.023 2.707 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.364 0.314 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.321 1.782 -11.868 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.188 3.063 -12.368 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.372 1.521 -12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.927 0.105 -14.273 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.780 0.709 -15.697 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.549 -0.143 -8.669 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.380 -0.882 -7.728 1.00 0.00 C ATOM 1059 C ASN A 70 -10.375 -0.159 -6.384 1.00 0.00 C ATOM 1060 O ASN A 70 -11.322 -0.255 -5.602 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.859 -2.319 -7.587 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.701 -3.183 -6.667 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.902 -2.968 -6.515 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.078 -4.181 -6.058 1.00 0.00 N ATOM 0 H ASN A 70 -8.611 -0.525 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.405 -0.932 -8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.822 -2.782 -8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.837 -2.291 -7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.596 -4.803 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.080 -4.327 -6.209 1.00 0.00 H new ATOM 1071 N PHE A 71 -9.302 0.585 -6.145 1.00 0.00 N ATOM 1072 CA PHE A 71 -9.169 1.397 -4.946 1.00 0.00 C ATOM 1073 C PHE A 71 -9.749 2.788 -5.206 1.00 0.00 C ATOM 1074 O PHE A 71 -10.519 3.318 -4.405 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.685 1.506 -4.562 1.00 0.00 C ATOM 1076 CG PHE A 71 -7.417 1.962 -3.149 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -8.450 2.206 -2.255 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -6.111 2.139 -2.715 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -8.185 2.613 -0.962 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.841 2.545 -1.422 1.00 0.00 C ATOM 1081 CZ PHE A 71 -6.879 2.783 -0.545 1.00 0.00 C ATOM 0 H PHE A 71 -8.503 0.641 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.715 0.932 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.217 0.533 -4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.199 2.199 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.474 2.076 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.294 1.957 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.999 2.798 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.819 2.676 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.671 3.102 0.466 1.00 0.00 H new ATOM 1091 N SER A 72 -9.364 3.369 -6.335 1.00 0.00 N ATOM 1092 CA SER A 72 -9.848 4.676 -6.753 1.00 0.00 C ATOM 1093 C SER A 72 -9.937 4.738 -8.276 1.00 0.00 C ATOM 1094 O SER A 72 -8.975 4.426 -8.977 1.00 0.00 O ATOM 1095 CB SER A 72 -8.922 5.773 -6.224 1.00 0.00 C ATOM 1096 OG SER A 72 -8.942 5.809 -4.806 1.00 0.00 O ATOM 0 H SER A 72 -8.705 2.945 -6.988 1.00 0.00 H new ATOM 0 HA SER A 72 -10.844 4.835 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.905 5.596 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.232 6.740 -6.621 1.00 0.00 H new ATOM 0 HG SER A 72 -9.396 6.624 -4.506 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.096 5.145 -8.778 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.380 5.115 -10.210 1.00 0.00 C ATOM 1104 C ALA A 73 -10.507 6.090 -11.002 1.00 0.00 C ATOM 1105 O ALA A 73 -10.308 5.915 -12.205 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.852 5.409 -10.452 1.00 0.00 C ATOM 0 H ALA A 73 -11.863 5.504 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.141 4.113 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.057 5.385 -11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.461 4.657 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.095 6.396 -10.058 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.989 7.108 -10.335 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.160 8.088 -11.014 1.00 0.00 C ATOM 1114 C GLY A 74 -7.678 7.810 -10.851 1.00 0.00 C ATOM 1115 O GLY A 74 -6.906 8.704 -10.505 1.00 0.00 O ATOM 0 H GLY A 74 -10.125 7.276 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.410 8.097 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.385 9.081 -10.625 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.275 6.570 -11.095 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.878 6.183 -10.960 1.00 0.00 C ATOM 1121 C ALA A 75 -5.333 5.621 -12.266 1.00 0.00 C ATOM 1122 O ALA A 75 -6.078 5.054 -13.066 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.719 5.169 -9.839 1.00 0.00 C ATOM 0 H ALA A 75 -7.896 5.815 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.302 7.075 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.670 4.888 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.059 5.607 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.314 4.283 -10.062 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.031 5.792 -12.476 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.365 5.287 -13.666 1.00 0.00 C ATOM 1131 C ARG A 76 -2.720 3.939 -13.376 1.00 0.00 C ATOM 1132 O ARG A 76 -2.096 3.761 -12.331 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.289 6.266 -14.152 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.799 7.678 -14.407 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.702 8.551 -13.164 1.00 0.00 C ATOM 1136 NE ARG A 76 -3.192 9.906 -13.414 1.00 0.00 N ATOM 1137 CZ ARG A 76 -2.675 11.004 -12.866 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -1.660 10.921 -12.014 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -3.181 12.195 -13.166 1.00 0.00 N ATOM 0 H ARG A 76 -3.414 6.282 -11.829 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.118 5.174 -14.446 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.491 6.308 -13.411 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.850 5.879 -15.071 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.224 8.131 -15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.836 7.635 -14.740 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.278 8.099 -12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.665 8.595 -12.830 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.982 10.017 -14.050 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.269 10.010 -11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.271 11.768 -11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.964 12.267 -13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.786 13.037 -12.747 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.873 2.998 -14.298 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.292 1.672 -14.142 1.00 0.00 C ATOM 1155 C ALA A 77 -0.808 1.679 -14.474 1.00 0.00 C ATOM 1156 O ALA A 77 -0.405 2.102 -15.559 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.015 0.664 -15.020 1.00 0.00 C ATOM 0 H ALA A 77 -3.396 3.129 -15.164 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.409 1.381 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.566 -0.321 -14.889 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.067 0.624 -14.737 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.931 0.965 -16.064 1.00 0.00 H new ATOM 1163 N LEU A 78 0.002 1.212 -13.535 1.00 0.00 N ATOM 1164 CA LEU A 78 1.437 1.111 -13.751 1.00 0.00 C ATOM 1165 C LEU A 78 1.740 -0.090 -14.636 1.00 0.00 C ATOM 1166 O LEU A 78 1.008 -1.082 -14.619 1.00 0.00 O ATOM 1167 CB LEU A 78 2.203 0.967 -12.424 1.00 0.00 C ATOM 1168 CG LEU A 78 2.047 2.113 -11.412 1.00 0.00 C ATOM 1169 CD1 LEU A 78 2.002 3.467 -12.106 1.00 0.00 C ATOM 1170 CD2 LEU A 78 0.818 1.905 -10.547 1.00 0.00 C ATOM 0 H LEU A 78 -0.310 0.897 -12.616 1.00 0.00 H new ATOM 0 HA LEU A 78 1.765 2.030 -14.237 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.882 0.042 -11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.263 0.856 -12.653 1.00 0.00 H new ATOM 0 HG LEU A 78 2.924 2.105 -10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.891 4.254 -11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.926 3.622 -12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.156 3.496 -12.793 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.728 2.728 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.070 1.871 -11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.911 0.966 -10.002 1.00 0.00 H new ATOM 1182 N SER A 79 2.811 0.000 -15.405 1.00 0.00 N ATOM 1183 CA SER A 79 3.218 -1.094 -16.276 1.00 0.00 C ATOM 1184 C SER A 79 4.740 -1.192 -16.355 1.00 0.00 C ATOM 1185 O SER A 79 5.435 -0.177 -16.298 1.00 0.00 O ATOM 1186 CB SER A 79 2.623 -0.897 -17.672 1.00 0.00 C ATOM 1187 OG SER A 79 1.204 -0.846 -17.617 1.00 0.00 O ATOM 0 H SER A 79 3.417 0.820 -15.446 1.00 0.00 H new ATOM 0 HA SER A 79 2.842 -2.028 -15.857 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.007 0.025 -18.108 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.936 -1.713 -18.323 1.00 0.00 H new ATOM 0 HG SER A 79 0.846 -0.718 -18.520 1.00 0.00 H new ATOM 1193 N ASP A 80 5.241 -2.421 -16.473 1.00 0.00 N ATOM 1194 CA ASP A 80 6.676 -2.691 -16.588 1.00 0.00 C ATOM 1195 C ASP A 80 7.399 -2.460 -15.266 1.00 0.00 C ATOM 1196 O ASP A 80 6.990 -2.994 -14.235 1.00 0.00 O ATOM 1197 CB ASP A 80 7.318 -1.866 -17.714 1.00 0.00 C ATOM 1198 CG ASP A 80 6.877 -2.309 -19.093 1.00 0.00 C ATOM 1199 OD1 ASP A 80 5.861 -1.788 -19.600 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.549 -3.178 -19.686 1.00 0.00 O ATOM 0 H ASP A 80 4.662 -3.261 -16.492 1.00 0.00 H new ATOM 0 HA ASP A 80 6.782 -3.745 -16.845 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.065 -0.815 -17.577 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.403 -1.945 -17.642 1.00 0.00 H new ATOM 1205 N ALA A 81 8.448 -1.648 -15.296 1.00 0.00 N ATOM 1206 CA ALA A 81 9.378 -1.534 -14.175 1.00 0.00 C ATOM 1207 C ALA A 81 8.709 -1.016 -12.903 1.00 0.00 C ATOM 1208 O ALA A 81 9.096 -1.381 -11.793 1.00 0.00 O ATOM 1209 CB ALA A 81 10.548 -0.639 -14.555 1.00 0.00 C ATOM 0 H ALA A 81 8.679 -1.053 -16.091 1.00 0.00 H new ATOM 0 HA ALA A 81 9.739 -2.539 -13.957 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.235 -0.561 -13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.070 -1.067 -15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.178 0.353 -14.815 1.00 0.00 H new ATOM 1215 N GLU A 82 7.690 -0.190 -13.070 1.00 0.00 N ATOM 1216 CA GLU A 82 7.001 0.414 -11.939 1.00 0.00 C ATOM 1217 C GLU A 82 6.174 -0.631 -11.214 1.00 0.00 C ATOM 1218 O GLU A 82 6.143 -0.668 -9.985 1.00 0.00 O ATOM 1219 CB GLU A 82 6.135 1.596 -12.394 1.00 0.00 C ATOM 1220 CG GLU A 82 5.669 1.495 -13.837 1.00 0.00 C ATOM 1221 CD GLU A 82 4.875 2.693 -14.291 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.264 3.825 -13.951 1.00 0.00 O ATOM 1223 OE2 GLU A 82 3.884 2.503 -15.027 1.00 0.00 O ATOM 0 H GLU A 82 7.319 0.079 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 82 7.744 0.803 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.263 1.667 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.701 2.519 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.538 1.376 -14.485 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.060 0.599 -13.953 1.00 0.00 H new ATOM 1230 N THR A 83 5.531 -1.503 -11.975 1.00 0.00 N ATOM 1231 CA THR A 83 4.811 -2.616 -11.389 1.00 0.00 C ATOM 1232 C THR A 83 5.805 -3.655 -10.888 1.00 0.00 C ATOM 1233 O THR A 83 5.605 -4.256 -9.845 1.00 0.00 O ATOM 1234 CB THR A 83 3.864 -3.275 -12.403 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.296 -2.276 -13.256 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.746 -4.028 -11.697 1.00 0.00 C ATOM 0 H THR A 83 5.494 -1.460 -12.993 1.00 0.00 H new ATOM 0 HA THR A 83 4.213 -2.230 -10.563 1.00 0.00 H new ATOM 0 HB THR A 83 4.442 -3.984 -12.996 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.339 -2.452 -13.374 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.090 -4.485 -12.438 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.174 -4.805 -11.063 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.172 -3.335 -11.083 1.00 0.00 H new ATOM 1244 N LYS A 84 6.888 -3.836 -11.636 1.00 0.00 N ATOM 1245 CA LYS A 84 7.920 -4.810 -11.299 1.00 0.00 C ATOM 1246 C LYS A 84 8.469 -4.565 -9.893 1.00 0.00 C ATOM 1247 O LYS A 84 8.378 -5.432 -9.019 1.00 0.00 O ATOM 1248 CB LYS A 84 9.058 -4.733 -12.322 1.00 0.00 C ATOM 1249 CG LYS A 84 10.066 -5.866 -12.218 1.00 0.00 C ATOM 1250 CD LYS A 84 9.494 -7.171 -12.747 1.00 0.00 C ATOM 1251 CE LYS A 84 10.490 -8.309 -12.614 1.00 0.00 C ATOM 1252 NZ LYS A 84 9.964 -9.577 -13.182 1.00 0.00 N ATOM 0 H LYS A 84 7.075 -3.313 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 84 7.474 -5.804 -11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.631 -4.732 -13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.580 -3.784 -12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.964 -5.608 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.365 -5.994 -11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.583 -7.418 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.216 -7.050 -13.794 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.417 -8.041 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.734 -8.456 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.675 -10.328 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.093 -9.847 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.755 -9.445 -14.192 1.00 0.00 H new ATOM 1266 N VAL A 85 9.017 -3.374 -9.680 1.00 0.00 N ATOM 1267 CA VAL A 85 9.630 -3.022 -8.403 1.00 0.00 C ATOM 1268 C VAL A 85 8.588 -2.960 -7.290 1.00 0.00 C ATOM 1269 O VAL A 85 8.835 -3.408 -6.168 1.00 0.00 O ATOM 1270 CB VAL A 85 10.370 -1.669 -8.492 1.00 0.00 C ATOM 1271 CG1 VAL A 85 11.035 -1.319 -7.168 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.397 -1.695 -9.612 1.00 0.00 C ATOM 0 H VAL A 85 9.050 -2.632 -10.379 1.00 0.00 H new ATOM 0 HA VAL A 85 10.352 -3.804 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 85 9.633 -0.897 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.548 -0.362 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.277 -1.251 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.756 -2.094 -6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.908 -0.733 -9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.125 -2.484 -9.420 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.896 -1.887 -10.561 1.00 0.00 H new ATOM 1282 N PHE A 86 7.419 -2.416 -7.609 1.00 0.00 N ATOM 1283 CA PHE A 86 6.344 -2.290 -6.634 1.00 0.00 C ATOM 1284 C PHE A 86 5.829 -3.667 -6.207 1.00 0.00 C ATOM 1285 O PHE A 86 5.525 -3.883 -5.036 1.00 0.00 O ATOM 1286 CB PHE A 86 5.221 -1.415 -7.205 1.00 0.00 C ATOM 1287 CG PHE A 86 3.953 -1.420 -6.394 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.953 -0.984 -5.078 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.760 -1.852 -6.950 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.790 -0.980 -4.333 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.593 -1.849 -6.209 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.608 -1.414 -4.899 1.00 0.00 C ATOM 0 H PHE A 86 7.192 -2.055 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 86 6.732 -1.803 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.582 -0.390 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.992 -1.753 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.874 -0.643 -4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.741 -2.195 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.805 -0.638 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.669 -2.187 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.697 -1.413 -4.318 1.00 0.00 H new ATOM 1302 N LEU A 87 5.755 -4.601 -7.147 1.00 0.00 N ATOM 1303 CA LEU A 87 5.386 -5.974 -6.825 1.00 0.00 C ATOM 1304 C LEU A 87 6.435 -6.602 -5.922 1.00 0.00 C ATOM 1305 O LEU A 87 6.109 -7.184 -4.897 1.00 0.00 O ATOM 1306 CB LEU A 87 5.231 -6.823 -8.092 1.00 0.00 C ATOM 1307 CG LEU A 87 3.987 -6.539 -8.938 1.00 0.00 C ATOM 1308 CD1 LEU A 87 4.057 -7.293 -10.255 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.723 -6.918 -8.183 1.00 0.00 C ATOM 0 H LEU A 87 5.945 -4.434 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 87 4.427 -5.945 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.113 -6.675 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.218 -7.874 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 87 3.956 -5.470 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.165 -7.080 -10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.941 -6.977 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.115 -8.364 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.852 -6.708 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.748 -7.981 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.661 -6.338 -7.262 1.00 0.00 H new ATOM 1321 N LYS A 88 7.700 -6.453 -6.296 1.00 0.00 N ATOM 1322 CA LYS A 88 8.804 -7.060 -5.556 1.00 0.00 C ATOM 1323 C LYS A 88 8.949 -6.475 -4.155 1.00 0.00 C ATOM 1324 O LYS A 88 9.615 -7.059 -3.299 1.00 0.00 O ATOM 1325 CB LYS A 88 10.109 -6.923 -6.338 1.00 0.00 C ATOM 1326 CG LYS A 88 10.157 -7.824 -7.555 1.00 0.00 C ATOM 1327 CD LYS A 88 10.356 -9.266 -7.134 1.00 0.00 C ATOM 1328 CE LYS A 88 10.269 -10.218 -8.314 1.00 0.00 C ATOM 1329 NZ LYS A 88 8.867 -10.399 -8.774 1.00 0.00 N ATOM 0 H LYS A 88 7.990 -5.914 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 88 8.573 -8.119 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.232 -5.887 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.947 -7.159 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.232 -7.728 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.969 -7.515 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.328 -9.373 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.602 -9.535 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.875 -9.835 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.687 -11.185 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.844 -11.081 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.287 -10.756 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.487 -9.487 -9.098 1.00 0.00 H new ATOM 1343 N ALA A 89 8.336 -5.319 -3.927 1.00 0.00 N ATOM 1344 CA ALA A 89 8.286 -4.737 -2.592 1.00 0.00 C ATOM 1345 C ALA A 89 7.598 -5.696 -1.632 1.00 0.00 C ATOM 1346 O ALA A 89 7.955 -5.793 -0.456 1.00 0.00 O ATOM 1347 CB ALA A 89 7.561 -3.401 -2.616 1.00 0.00 C ATOM 0 H ALA A 89 7.868 -4.768 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 89 9.306 -4.565 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.535 -2.983 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.086 -2.714 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.542 -3.546 -2.975 1.00 0.00 H new ATOM 1353 N GLY A 90 6.614 -6.414 -2.154 1.00 0.00 N ATOM 1354 CA GLY A 90 5.928 -7.415 -1.374 1.00 0.00 C ATOM 1355 C GLY A 90 6.329 -8.808 -1.800 1.00 0.00 C ATOM 1356 O GLY A 90 6.772 -9.607 -0.980 1.00 0.00 O ATOM 0 H GLY A 90 6.279 -6.317 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.155 -7.275 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.851 -7.293 -1.487 1.00 0.00 H new ATOM 1360 N ASP A 91 6.196 -9.077 -3.095 1.00 0.00 N ATOM 1361 CA ASP A 91 6.545 -10.370 -3.676 1.00 0.00 C ATOM 1362 C ASP A 91 8.018 -10.678 -3.444 1.00 0.00 C ATOM 1363 O ASP A 91 8.888 -10.147 -4.135 1.00 0.00 O ATOM 1364 CB ASP A 91 6.281 -10.363 -5.175 1.00 0.00 C ATOM 1365 CG ASP A 91 6.631 -11.688 -5.803 1.00 0.00 C ATOM 1366 OD1 ASP A 91 6.287 -12.737 -5.198 1.00 0.00 O ATOM 1367 OD2 ASP A 91 7.262 -11.696 -6.883 1.00 0.00 O ATOM 0 H ASP A 91 5.842 -8.403 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 91 5.931 -11.131 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.231 -10.138 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.864 -9.571 -5.645 1.00 0.00 H new ATOM 1372 N SER A 92 8.299 -11.529 -2.477 1.00 0.00 N ATOM 1373 CA SER A 92 9.671 -11.825 -2.116 1.00 0.00 C ATOM 1374 C SER A 92 10.139 -13.107 -2.800 1.00 0.00 C ATOM 1375 O SER A 92 11.334 -13.310 -3.026 1.00 0.00 O ATOM 1376 CB SER A 92 9.795 -11.939 -0.594 1.00 0.00 C ATOM 1377 OG SER A 92 11.150 -12.016 -0.185 1.00 0.00 O ATOM 0 H SER A 92 7.598 -12.026 -1.928 1.00 0.00 H new ATOM 0 HA SER A 92 10.312 -11.011 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.321 -11.077 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.260 -12.824 -0.250 1.00 0.00 H new ATOM 0 HG SER A 92 11.193 -12.086 0.792 1.00 0.00 H new ATOM 1383 N ASP A 93 9.186 -13.959 -3.153 1.00 0.00 N ATOM 1384 CA ASP A 93 9.509 -15.261 -3.735 1.00 0.00 C ATOM 1385 C ASP A 93 9.681 -15.184 -5.255 1.00 0.00 C ATOM 1386 O ASP A 93 10.123 -16.145 -5.887 1.00 0.00 O ATOM 1387 CB ASP A 93 8.444 -16.297 -3.371 1.00 0.00 C ATOM 1388 CG ASP A 93 7.113 -16.025 -4.029 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.516 -14.954 -3.764 1.00 0.00 O ATOM 1390 OD2 ASP A 93 6.646 -16.879 -4.807 1.00 0.00 O ATOM 0 H ASP A 93 8.188 -13.777 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 93 10.464 -15.574 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.793 -17.288 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.313 -16.312 -2.289 1.00 0.00 H new ATOM 1395 N GLY A 94 9.332 -14.037 -5.835 1.00 0.00 N ATOM 1396 CA GLY A 94 9.620 -13.786 -7.239 1.00 0.00 C ATOM 1397 C GLY A 94 8.631 -14.424 -8.201 1.00 0.00 C ATOM 1398 O GLY A 94 9.029 -15.124 -9.132 1.00 0.00 O ATOM 0 H GLY A 94 8.853 -13.274 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.632 -12.709 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.620 -14.156 -7.465 1.00 0.00 H new ATOM 1402 N ASP A 95 7.348 -14.165 -8.001 1.00 0.00 N ATOM 1403 CA ASP A 95 6.311 -14.732 -8.862 1.00 0.00 C ATOM 1404 C ASP A 95 5.676 -13.669 -9.759 1.00 0.00 C ATOM 1405 O ASP A 95 5.117 -13.987 -10.811 1.00 0.00 O ATOM 1406 CB ASP A 95 5.225 -15.418 -8.025 1.00 0.00 C ATOM 1407 CG ASP A 95 4.725 -14.541 -6.897 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.407 -13.375 -7.137 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.677 -15.003 -5.744 1.00 0.00 O ATOM 0 H ASP A 95 6.996 -13.568 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 95 6.794 -15.472 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.389 -15.687 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.620 -16.346 -7.612 1.00 0.00 H new ATOM 1414 N GLY A 96 5.776 -12.408 -9.352 1.00 0.00 N ATOM 1415 CA GLY A 96 5.205 -11.326 -10.139 1.00 0.00 C ATOM 1416 C GLY A 96 3.784 -10.985 -9.722 1.00 0.00 C ATOM 1417 O GLY A 96 2.995 -10.488 -10.523 1.00 0.00 O ATOM 0 H GLY A 96 6.241 -12.114 -8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.831 -10.440 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.213 -11.605 -11.193 1.00 0.00 H new ATOM 1421 N LYS A 97 3.462 -11.276 -8.474 1.00 0.00 N ATOM 1422 CA LYS A 97 2.159 -10.965 -7.900 1.00 0.00 C ATOM 1423 C LYS A 97 2.370 -10.408 -6.511 1.00 0.00 C ATOM 1424 O LYS A 97 3.492 -10.381 -6.015 1.00 0.00 O ATOM 1425 CB LYS A 97 1.317 -12.241 -7.809 1.00 0.00 C ATOM 1426 CG LYS A 97 1.549 -13.044 -6.528 1.00 0.00 C ATOM 1427 CD LYS A 97 1.214 -14.516 -6.724 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.259 -14.730 -7.031 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.565 -16.158 -7.307 1.00 0.00 N ATOM 0 H LYS A 97 4.099 -11.737 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 97 1.641 -10.239 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.262 -11.974 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.539 -12.874 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.589 -12.945 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.937 -12.634 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.816 -14.919 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.481 -15.071 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.859 -14.386 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.542 -14.125 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.579 -16.262 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.011 -16.480 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.319 -16.733 -6.476 1.00 0.00 H new ATOM 1443 N ILE A 98 1.309 -9.974 -5.874 1.00 0.00 N ATOM 1444 CA ILE A 98 1.406 -9.586 -4.493 1.00 0.00 C ATOM 1445 C ILE A 98 0.702 -10.597 -3.624 1.00 0.00 C ATOM 1446 O ILE A 98 -0.521 -10.712 -3.651 1.00 0.00 O ATOM 1447 CB ILE A 98 0.823 -8.186 -4.234 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.773 -7.111 -4.750 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.540 -7.978 -2.762 1.00 0.00 C ATOM 1450 CD1 ILE A 98 3.165 -7.215 -4.170 1.00 0.00 C ATOM 0 H ILE A 98 0.380 -9.882 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 98 2.466 -9.551 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.121 -8.108 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.833 -7.180 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.362 -6.129 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.129 -6.980 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.178 -8.723 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.466 -8.080 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.790 -6.421 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.116 -7.116 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.595 -8.183 -4.427 1.00 0.00 H new ATOM 1462 N GLY A 99 1.475 -11.368 -2.892 1.00 0.00 N ATOM 1463 CA GLY A 99 0.883 -12.150 -1.850 1.00 0.00 C ATOM 1464 C GLY A 99 0.205 -11.228 -0.877 1.00 0.00 C ATOM 1465 O GLY A 99 0.740 -10.172 -0.553 1.00 0.00 O ATOM 0 H GLY A 99 2.485 -11.464 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.162 -12.853 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.645 -12.740 -1.342 1.00 0.00 H new ATOM 1469 N VAL A 100 -0.975 -11.587 -0.440 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.732 -10.738 0.458 1.00 0.00 C ATOM 1471 C VAL A 100 -0.923 -10.431 1.723 1.00 0.00 C ATOM 1472 O VAL A 100 -0.896 -9.295 2.210 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.078 -11.405 0.777 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.720 -10.822 2.021 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.007 -11.281 -0.429 1.00 0.00 C ATOM 0 H VAL A 100 -1.437 -12.462 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.935 -9.782 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.896 -12.460 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.670 -11.323 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.058 -10.967 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.895 -9.756 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.962 -11.754 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.169 -10.227 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.553 -11.773 -1.290 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.205 -11.433 2.203 1.00 0.00 N ATOM 1486 CA ASP A 101 0.689 -11.263 3.339 1.00 0.00 C ATOM 1487 C ASP A 101 1.934 -10.473 2.920 1.00 0.00 C ATOM 1488 O ASP A 101 2.483 -9.694 3.704 1.00 0.00 O ATOM 1489 CB ASP A 101 1.078 -12.632 3.907 1.00 0.00 C ATOM 1490 CG ASP A 101 1.985 -13.423 2.982 1.00 0.00 C ATOM 1491 OD1 ASP A 101 1.630 -13.600 1.801 1.00 0.00 O ATOM 1492 OD2 ASP A 101 3.053 -13.886 3.442 1.00 0.00 O ATOM 0 H ASP A 101 -0.224 -12.379 1.821 1.00 0.00 H new ATOM 0 HA ASP A 101 0.174 -10.699 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.578 -12.493 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.174 -13.209 4.101 1.00 0.00 H new ATOM 1497 N GLU A 102 2.355 -10.671 1.670 1.00 0.00 N ATOM 1498 CA GLU A 102 3.472 -9.925 1.090 1.00 0.00 C ATOM 1499 C GLU A 102 3.164 -8.427 1.099 1.00 0.00 C ATOM 1500 O GLU A 102 4.029 -7.600 1.393 1.00 0.00 O ATOM 1501 CB GLU A 102 3.730 -10.377 -0.361 1.00 0.00 C ATOM 1502 CG GLU A 102 4.019 -11.868 -0.529 1.00 0.00 C ATOM 1503 CD GLU A 102 5.413 -12.262 -0.086 1.00 0.00 C ATOM 1504 OE1 GLU A 102 5.673 -12.287 1.137 1.00 0.00 O ATOM 1505 OE2 GLU A 102 6.256 -12.558 -0.963 1.00 0.00 O ATOM 0 H GLU A 102 1.934 -11.349 1.035 1.00 0.00 H new ATOM 0 HA GLU A 102 4.360 -10.121 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.861 -10.120 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.573 -9.811 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.288 -12.439 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.887 -12.141 -1.576 1.00 0.00 H new ATOM 1512 N PHE A 103 1.917 -8.092 0.776 1.00 0.00 N ATOM 1513 CA PHE A 103 1.484 -6.703 0.679 1.00 0.00 C ATOM 1514 C PHE A 103 1.560 -6.016 2.029 1.00 0.00 C ATOM 1515 O PHE A 103 2.168 -4.955 2.153 1.00 0.00 O ATOM 1516 CB PHE A 103 0.056 -6.617 0.147 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.306 -5.256 -0.378 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.266 -4.777 -1.545 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.220 -4.459 0.288 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.066 -3.532 -2.039 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.553 -3.211 -0.202 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.977 -2.747 -1.366 1.00 0.00 C ATOM 0 H PHE A 103 1.184 -8.772 0.576 1.00 0.00 H new ATOM 0 HA PHE A 103 2.156 -6.197 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.072 -7.351 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.637 -6.887 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.982 -5.387 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.677 -4.816 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.387 -3.173 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.266 -2.597 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.239 -1.772 -1.749 1.00 0.00 H new ATOM 1532 N GLY A 104 0.947 -6.631 3.038 1.00 0.00 N ATOM 1533 CA GLY A 104 0.958 -6.056 4.374 1.00 0.00 C ATOM 1534 C GLY A 104 2.362 -5.755 4.855 1.00 0.00 C ATOM 1535 O GLY A 104 2.608 -4.727 5.494 1.00 0.00 O ATOM 0 H GLY A 104 0.444 -7.515 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.370 -5.138 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.478 -6.745 5.068 1.00 0.00 H new ATOM 1539 N ALA A 105 3.286 -6.640 4.515 1.00 0.00 N ATOM 1540 CA ALA A 105 4.675 -6.483 4.902 1.00 0.00 C ATOM 1541 C ALA A 105 5.346 -5.336 4.151 1.00 0.00 C ATOM 1542 O ALA A 105 6.199 -4.657 4.709 1.00 0.00 O ATOM 1543 CB ALA A 105 5.432 -7.780 4.670 1.00 0.00 C ATOM 0 H ALA A 105 3.095 -7.479 3.968 1.00 0.00 H new ATOM 0 HA ALA A 105 4.698 -6.238 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.474 -7.651 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.983 -8.575 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.383 -8.046 3.614 1.00 0.00 H new ATOM 1549 N MET A 106 4.960 -5.107 2.896 1.00 0.00 N ATOM 1550 CA MET A 106 5.584 -4.043 2.104 1.00 0.00 C ATOM 1551 C MET A 106 5.103 -2.672 2.568 1.00 0.00 C ATOM 1552 O MET A 106 5.803 -1.672 2.413 1.00 0.00 O ATOM 1553 CB MET A 106 5.300 -4.198 0.600 1.00 0.00 C ATOM 1554 CG MET A 106 4.073 -3.430 0.125 1.00 0.00 C ATOM 1555 SD MET A 106 4.152 -2.955 -1.615 1.00 0.00 S ATOM 1556 CE MET A 106 3.746 -4.492 -2.424 1.00 0.00 C ATOM 0 H MET A 106 4.232 -5.632 2.411 1.00 0.00 H new ATOM 0 HA MET A 106 6.660 -4.127 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.170 -3.858 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.166 -5.255 0.372 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.186 -4.042 0.287 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.957 -2.533 0.734 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.622 -4.867 -2.953 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.432 -5.223 -1.679 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.936 -4.326 -3.134 1.00 0.00 H new ATOM 1566 N ILE A 107 3.908 -2.641 3.144 1.00 0.00 N ATOM 1567 CA ILE A 107 3.296 -1.399 3.588 1.00 0.00 C ATOM 1568 C ILE A 107 3.980 -0.931 4.850 1.00 0.00 C ATOM 1569 O ILE A 107 4.296 0.248 5.024 1.00 0.00 O ATOM 1570 CB ILE A 107 1.796 -1.602 3.878 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.076 -2.110 2.632 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.165 -0.310 4.368 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.368 -2.476 2.881 1.00 0.00 C ATOM 0 H ILE A 107 3.340 -3.471 3.315 1.00 0.00 H new ATOM 0 HA ILE A 107 3.405 -0.656 2.798 1.00 0.00 H new ATOM 0 HB ILE A 107 1.697 -2.350 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.121 -1.344 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.603 -2.983 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.106 -0.475 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.660 0.012 5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.275 0.461 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.819 -2.829 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.419 -3.264 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.909 -1.599 3.237 1.00 0.00 H new ATOM 1585 N LYS A 108 4.211 -1.888 5.720 1.00 0.00 N ATOM 1586 CA LYS A 108 4.864 -1.643 6.987 1.00 0.00 C ATOM 1587 C LYS A 108 6.381 -1.590 6.792 1.00 0.00 C ATOM 1588 O LYS A 108 7.090 -0.912 7.537 1.00 0.00 O ATOM 1589 CB LYS A 108 4.420 -2.733 7.978 1.00 0.00 C ATOM 1590 CG LYS A 108 5.207 -2.813 9.286 1.00 0.00 C ATOM 1591 CD LYS A 108 6.516 -3.582 9.133 1.00 0.00 C ATOM 1592 CE LYS A 108 6.287 -5.018 8.681 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.568 -5.730 8.441 1.00 0.00 N ATOM 0 H LYS A 108 3.950 -2.862 5.569 1.00 0.00 H new ATOM 0 HA LYS A 108 4.576 -0.676 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.369 -2.570 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.486 -3.699 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.421 -1.805 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.593 -3.295 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.153 -3.072 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.049 -3.582 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.711 -5.550 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.692 -5.021 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.391 -6.753 8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.986 -5.402 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.226 -5.534 9.223 1.00 0.00 H new ATOM 1607 N ALA A 109 6.849 -2.293 5.762 1.00 0.00 N ATOM 1608 CA ALA A 109 8.266 -2.355 5.412 1.00 0.00 C ATOM 1609 C ALA A 109 9.084 -2.999 6.527 1.00 0.00 C ATOM 1610 O ALA A 109 8.940 -4.222 6.732 1.00 0.00 O ATOM 1611 CB ALA A 109 8.797 -0.970 5.068 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.876 -2.292 7.186 1.00 0.00 O ATOM 0 H ALA A 109 6.251 -2.839 5.143 1.00 0.00 H new ATOM 0 HA ALA A 109 8.367 -2.984 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.854 -1.039 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.242 -0.568 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.675 -0.310 5.927 1.00 0.00 H new