USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 856 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 86 LYS NZ :NH3+ -157:sc= -2.33! (180deg=-3.69!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.72 K(o=-1.7,f=-0.56) USER MOD Single : A 25 THR OG1 : rot -22:sc= 1.12 USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.235) USER MOD Single : A 33 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 39 HIS : no HE2:sc= -0.0473 X(o=-0.047,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ -140:sc=-0.00439 (180deg=-0.0286) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.491 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00237 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0697 (180deg=-0.521) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0196 (180deg=-0.26) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.532 K(o=-0.53,f=0.029) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 71:sc= -5.45! USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc=-0.00401 (180deg=-0.0511) USER MOD Single : A 95 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.46) USER MOD Single : A 99 TYR OH : rot 70:sc= -1.15 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 175:sc= -4.36! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.53) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -2.006 9.675 4.097 1.00 0.00 N ATOM 98 CA VAL A 9 -1.399 8.354 3.985 1.00 0.00 C ATOM 99 C VAL A 9 -0.953 7.838 5.349 1.00 0.00 C ATOM 100 O VAL A 9 -0.565 8.616 6.221 1.00 0.00 O ATOM 101 CB VAL A 9 -0.189 8.362 3.030 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.186 6.943 2.635 1.00 0.00 C ATOM 103 CG2 VAL A 9 -0.480 9.204 1.796 1.00 0.00 C ATOM 0 HA VAL A 9 -2.163 7.692 3.578 1.00 0.00 H new ATOM 0 HB VAL A 9 0.657 8.809 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.042 6.967 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.443 6.373 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.658 6.470 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.388 9.195 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.341 8.792 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.696 10.229 2.098 1.00 0.00 H new ATOM 113 N THR A 10 -1.014 6.522 5.529 1.00 0.00 N ATOM 114 CA THR A 10 -0.620 5.903 6.789 1.00 0.00 C ATOM 115 C THR A 10 0.785 5.318 6.690 1.00 0.00 C ATOM 116 O THR A 10 1.184 4.807 5.644 1.00 0.00 O ATOM 117 CB THR A 10 -1.616 4.808 7.175 1.00 0.00 C ATOM 118 OG1 THR A 10 -2.927 5.335 7.269 1.00 0.00 O ATOM 119 CG2 THR A 10 -1.293 4.142 8.495 1.00 0.00 C ATOM 0 H THR A 10 -1.333 5.864 4.818 1.00 0.00 H new ATOM 0 HA THR A 10 -0.620 6.673 7.561 1.00 0.00 H new ATOM 0 HB THR A 10 -1.545 4.061 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.550 4.620 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.039 3.376 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.306 3.682 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.301 4.887 9.290 1.00 0.00 H new ATOM 127 N VAL A 11 1.532 5.399 7.786 1.00 0.00 N ATOM 128 CA VAL A 11 2.892 4.880 7.821 1.00 0.00 C ATOM 129 C VAL A 11 2.905 3.388 8.137 1.00 0.00 C ATOM 130 O VAL A 11 2.094 2.902 8.925 1.00 0.00 O ATOM 131 CB VAL A 11 3.752 5.622 8.862 1.00 0.00 C ATOM 132 CG1 VAL A 11 5.211 5.208 8.743 1.00 0.00 C ATOM 133 CG2 VAL A 11 3.602 7.127 8.703 1.00 0.00 C ATOM 0 H VAL A 11 1.218 5.819 8.661 1.00 0.00 H new ATOM 0 HA VAL A 11 3.316 5.042 6.830 1.00 0.00 H new ATOM 0 HB VAL A 11 3.402 5.349 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.803 5.742 9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.300 4.135 8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.578 5.450 7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.217 7.634 9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.924 7.421 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.558 7.405 8.844 1.00 0.00 H new ATOM 143 N VAL A 12 3.830 2.664 7.513 1.00 0.00 N ATOM 144 CA VAL A 12 3.947 1.225 7.724 1.00 0.00 C ATOM 145 C VAL A 12 5.305 0.864 8.319 1.00 0.00 C ATOM 146 O VAL A 12 6.306 0.794 7.606 1.00 0.00 O ATOM 147 CB VAL A 12 3.756 0.439 6.411 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.213 -0.951 6.700 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.837 1.186 5.455 1.00 0.00 C ATOM 0 H VAL A 12 4.509 3.050 6.857 1.00 0.00 H new ATOM 0 HA VAL A 12 3.157 0.949 8.422 1.00 0.00 H new ATOM 0 HB VAL A 12 4.729 0.339 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.084 -1.493 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.914 -1.490 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.252 -0.868 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.720 0.609 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.862 1.326 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.270 2.158 5.219 1.00 0.00 H new ATOM 159 N VAL A 13 5.331 0.630 9.627 1.00 0.00 N ATOM 160 CA VAL A 13 6.568 0.269 10.315 1.00 0.00 C ATOM 161 C VAL A 13 6.707 -1.246 10.415 1.00 0.00 C ATOM 162 O VAL A 13 5.739 -1.979 10.227 1.00 0.00 O ATOM 163 CB VAL A 13 6.627 0.875 11.732 1.00 0.00 C ATOM 164 CG1 VAL A 13 8.043 0.810 12.285 1.00 0.00 C ATOM 165 CG2 VAL A 13 6.117 2.309 11.726 1.00 0.00 C ATOM 0 H VAL A 13 4.512 0.683 10.232 1.00 0.00 H new ATOM 0 HA VAL A 13 7.391 0.675 9.726 1.00 0.00 H new ATOM 0 HB VAL A 13 5.979 0.286 12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.063 1.242 13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.368 -0.229 12.332 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.714 1.370 11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.167 2.717 12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.734 2.912 11.060 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.084 2.326 11.379 1.00 0.00 H new ATOM 175 N ALA A 14 7.915 -1.713 10.711 1.00 0.00 N ATOM 176 CA ALA A 14 8.171 -3.144 10.831 1.00 0.00 C ATOM 177 C ALA A 14 7.249 -3.788 11.863 1.00 0.00 C ATOM 178 O ALA A 14 6.763 -4.902 11.667 1.00 0.00 O ATOM 179 CB ALA A 14 9.626 -3.390 11.200 1.00 0.00 C ATOM 0 H ALA A 14 8.731 -1.123 10.872 1.00 0.00 H new ATOM 0 HA ALA A 14 7.966 -3.603 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.803 -4.462 11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.273 -2.976 10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.846 -2.908 12.152 1.00 0.00 H new ATOM 185 N LYS A 15 7.016 -3.081 12.964 1.00 0.00 N ATOM 186 CA LYS A 15 6.158 -3.585 14.032 1.00 0.00 C ATOM 187 C LYS A 15 4.686 -3.251 13.779 1.00 0.00 C ATOM 188 O LYS A 15 3.807 -3.712 14.507 1.00 0.00 O ATOM 189 CB LYS A 15 6.599 -3.005 15.378 1.00 0.00 C ATOM 190 CG LYS A 15 7.331 -4.003 16.260 1.00 0.00 C ATOM 191 CD LYS A 15 7.213 -3.638 17.731 1.00 0.00 C ATOM 192 CE LYS A 15 8.171 -2.519 18.107 1.00 0.00 C ATOM 193 NZ LYS A 15 7.973 -2.068 19.512 1.00 0.00 N ATOM 0 H LYS A 15 7.409 -2.157 13.141 1.00 0.00 H new ATOM 0 HA LYS A 15 6.257 -4.670 14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.247 -2.147 15.200 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.722 -2.637 15.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.923 -5.001 16.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.383 -4.038 15.976 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.190 -3.331 17.950 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.420 -4.516 18.342 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.198 -2.861 17.977 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.028 -1.676 17.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.645 -1.305 19.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.001 -1.718 19.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.135 -2.866 20.159 1.00 0.00 H new ATOM 207 N ASN A 16 4.420 -2.444 12.755 1.00 0.00 N ATOM 208 CA ASN A 16 3.052 -2.053 12.431 1.00 0.00 C ATOM 209 C ASN A 16 2.530 -2.813 11.215 1.00 0.00 C ATOM 210 O ASN A 16 1.396 -3.291 11.210 1.00 0.00 O ATOM 211 CB ASN A 16 2.984 -0.547 12.169 1.00 0.00 C ATOM 212 CG ASN A 16 1.791 0.103 12.842 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.941 0.863 13.799 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.596 -0.195 12.344 1.00 0.00 N ATOM 0 H ASN A 16 5.130 -2.050 12.138 1.00 0.00 H new ATOM 0 HA ASN A 16 2.422 -2.303 13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.900 -0.077 12.527 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.933 -0.370 11.095 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.244 0.211 12.756 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.518 -0.830 11.550 1.00 0.00 H new ATOM 221 N TYR A 17 3.361 -2.911 10.183 1.00 0.00 N ATOM 222 CA TYR A 17 2.983 -3.602 8.956 1.00 0.00 C ATOM 223 C TYR A 17 2.464 -5.008 9.247 1.00 0.00 C ATOM 224 O TYR A 17 1.412 -5.399 8.761 1.00 0.00 O ATOM 225 CB TYR A 17 4.174 -3.653 7.988 1.00 0.00 C ATOM 226 CG TYR A 17 4.810 -5.021 7.845 1.00 0.00 C ATOM 227 CD1 TYR A 17 4.250 -5.981 7.013 1.00 0.00 C ATOM 228 CD2 TYR A 17 5.967 -5.349 8.540 1.00 0.00 C ATOM 229 CE1 TYR A 17 4.822 -7.231 6.877 1.00 0.00 C ATOM 230 CE2 TYR A 17 6.548 -6.597 8.408 1.00 0.00 C ATOM 231 CZ TYR A 17 5.971 -7.534 7.576 1.00 0.00 C ATOM 232 OH TYR A 17 6.546 -8.777 7.443 1.00 0.00 O ATOM 0 H TYR A 17 4.303 -2.520 10.172 1.00 0.00 H new ATOM 0 HA TYR A 17 2.173 -3.042 8.488 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.842 -3.316 7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.932 -2.948 8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.351 -5.746 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.420 -4.618 9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.372 -7.967 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.449 -6.837 8.953 1.00 0.00 H new ATOM 0 HH TYR A 17 7.350 -8.827 8.002 1.00 0.00 H new ATOM 242 N ASN A 18 3.216 -5.767 10.031 1.00 0.00 N ATOM 243 CA ASN A 18 2.832 -7.134 10.373 1.00 0.00 C ATOM 244 C ASN A 18 1.395 -7.205 10.896 1.00 0.00 C ATOM 245 O ASN A 18 0.687 -8.184 10.662 1.00 0.00 O ATOM 246 CB ASN A 18 3.803 -7.710 11.411 1.00 0.00 C ATOM 247 CG ASN A 18 3.544 -7.197 12.818 1.00 0.00 C ATOM 248 OD1 ASN A 18 3.340 -7.980 13.746 1.00 0.00 O ATOM 249 ND2 ASN A 18 3.551 -5.878 12.985 1.00 0.00 N ATOM 0 H ASN A 18 4.097 -5.461 10.444 1.00 0.00 H new ATOM 0 HA ASN A 18 2.882 -7.731 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.727 -8.797 11.407 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.824 -7.461 11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.383 -5.480 13.909 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.724 -5.264 12.189 1.00 0.00 H new ATOM 256 N GLU A 19 0.976 -6.170 11.616 1.00 0.00 N ATOM 257 CA GLU A 19 -0.368 -6.127 12.187 1.00 0.00 C ATOM 258 C GLU A 19 -1.432 -5.829 11.131 1.00 0.00 C ATOM 259 O GLU A 19 -2.359 -6.614 10.934 1.00 0.00 O ATOM 260 CB GLU A 19 -0.433 -5.077 13.296 1.00 0.00 C ATOM 261 CG GLU A 19 -1.663 -5.201 14.180 1.00 0.00 C ATOM 262 CD GLU A 19 -1.807 -6.582 14.788 1.00 0.00 C ATOM 263 OE1 GLU A 19 -0.852 -7.044 15.447 1.00 0.00 O ATOM 264 OE2 GLU A 19 -2.876 -7.203 14.604 1.00 0.00 O ATOM 0 H GLU A 19 1.546 -5.349 11.819 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.578 -7.114 12.599 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.460 -5.160 13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.418 -4.084 12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.608 -4.461 14.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.552 -4.972 13.593 1.00 0.00 H new ATOM 271 N ILE A 20 -1.307 -4.683 10.471 1.00 0.00 N ATOM 272 CA ILE A 20 -2.273 -4.273 9.454 1.00 0.00 C ATOM 273 C ILE A 20 -2.429 -5.319 8.350 1.00 0.00 C ATOM 274 O ILE A 20 -3.544 -5.664 7.961 1.00 0.00 O ATOM 275 CB ILE A 20 -1.877 -2.924 8.819 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.466 -3.001 8.225 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.965 -1.811 9.853 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.048 -1.673 7.711 1.00 0.00 C ATOM 0 H ILE A 20 -0.546 -4.020 10.621 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.229 -4.167 9.967 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.573 -2.702 8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.219 -3.377 8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.463 -3.723 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.683 -0.864 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.986 -1.743 10.228 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.289 -2.028 10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.051 -1.804 7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.615 -1.305 6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.078 -0.953 8.529 1.00 0.00 H new ATOM 290 N VAL A 21 -1.306 -5.812 7.846 1.00 0.00 N ATOM 291 CA VAL A 21 -1.306 -6.808 6.781 1.00 0.00 C ATOM 292 C VAL A 21 -1.931 -8.123 7.241 1.00 0.00 C ATOM 293 O VAL A 21 -2.624 -8.791 6.473 1.00 0.00 O ATOM 294 CB VAL A 21 0.125 -7.072 6.269 1.00 0.00 C ATOM 295 CG1 VAL A 21 0.761 -5.780 5.778 1.00 0.00 C ATOM 296 CG2 VAL A 21 0.979 -7.713 7.355 1.00 0.00 C ATOM 0 H VAL A 21 -0.376 -5.536 8.160 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.908 -6.402 5.968 1.00 0.00 H new ATOM 0 HB VAL A 21 0.066 -7.767 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.770 -5.984 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.164 -5.367 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.805 -5.062 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.984 -7.890 6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.032 -7.047 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.534 -8.661 7.656 1.00 0.00 H new ATOM 306 N LEU A 22 -1.681 -8.492 8.493 1.00 0.00 N ATOM 307 CA LEU A 22 -2.221 -9.731 9.043 1.00 0.00 C ATOM 308 C LEU A 22 -3.704 -9.588 9.393 1.00 0.00 C ATOM 309 O LEU A 22 -4.378 -10.578 9.675 1.00 0.00 O ATOM 310 CB LEU A 22 -1.429 -10.148 10.284 1.00 0.00 C ATOM 311 CG LEU A 22 -0.046 -10.736 10.000 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.697 -11.006 11.299 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.167 -12.011 9.179 1.00 0.00 C ATOM 0 H LEU A 22 -1.110 -7.953 9.144 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.127 -10.503 8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.312 -9.279 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.013 -10.882 10.839 1.00 0.00 H new ATOM 0 HG LEU A 22 0.525 -10.008 9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.679 -11.424 11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.816 -10.073 11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.129 -11.714 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.827 -12.415 8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.757 -12.744 9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.658 -11.788 8.232 1.00 0.00 H new ATOM 325 N ASP A 23 -4.207 -8.356 9.373 1.00 0.00 N ATOM 326 CA ASP A 23 -5.608 -8.099 9.690 1.00 0.00 C ATOM 327 C ASP A 23 -6.514 -8.502 8.530 1.00 0.00 C ATOM 328 O ASP A 23 -6.534 -7.848 7.487 1.00 0.00 O ATOM 329 CB ASP A 23 -5.814 -6.620 10.026 1.00 0.00 C ATOM 330 CG ASP A 23 -5.834 -6.364 11.520 1.00 0.00 C ATOM 331 OD1 ASP A 23 -5.189 -7.134 12.263 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.494 -5.394 11.947 1.00 0.00 O ATOM 0 H ASP A 23 -3.666 -7.523 9.141 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.874 -8.702 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.017 -6.032 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.752 -6.278 9.589 1.00 0.00 H new ATOM 337 N ASP A 24 -7.262 -9.583 8.721 1.00 0.00 N ATOM 338 CA ASP A 24 -8.173 -10.078 7.695 1.00 0.00 C ATOM 339 C ASP A 24 -9.471 -9.271 7.665 1.00 0.00 C ATOM 340 O ASP A 24 -10.264 -9.394 6.732 1.00 0.00 O ATOM 341 CB ASP A 24 -8.487 -11.556 7.937 1.00 0.00 C ATOM 342 CG ASP A 24 -9.143 -11.796 9.282 1.00 0.00 C ATOM 343 OD1 ASP A 24 -8.663 -11.229 10.286 1.00 0.00 O ATOM 344 OD2 ASP A 24 -10.137 -12.551 9.332 1.00 0.00 O ATOM 0 H ASP A 24 -7.255 -10.135 9.579 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.680 -9.965 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.143 -11.919 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.565 -12.135 7.877 1.00 0.00 H new ATOM 349 N THR A 25 -9.689 -8.452 8.692 1.00 0.00 N ATOM 350 CA THR A 25 -10.896 -7.637 8.773 1.00 0.00 C ATOM 351 C THR A 25 -10.686 -6.259 8.145 1.00 0.00 C ATOM 352 O THR A 25 -11.520 -5.367 8.303 1.00 0.00 O ATOM 353 CB THR A 25 -11.331 -7.482 10.230 1.00 0.00 C ATOM 354 OG1 THR A 25 -12.502 -6.690 10.323 1.00 0.00 O ATOM 355 CG2 THR A 25 -10.275 -6.843 11.105 1.00 0.00 C ATOM 0 H THR A 25 -9.047 -8.336 9.476 1.00 0.00 H new ATOM 0 HA THR A 25 -11.679 -8.148 8.213 1.00 0.00 H new ATOM 0 HB THR A 25 -11.511 -8.496 10.586 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.587 -6.137 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.648 -6.763 12.126 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.374 -7.457 11.095 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.041 -5.849 10.725 1.00 0.00 H new ATOM 363 N LYS A 26 -9.574 -6.087 7.435 1.00 0.00 N ATOM 364 CA LYS A 26 -9.274 -4.812 6.792 1.00 0.00 C ATOM 365 C LYS A 26 -8.190 -4.974 5.730 1.00 0.00 C ATOM 366 O LYS A 26 -7.171 -5.623 5.962 1.00 0.00 O ATOM 367 CB LYS A 26 -8.835 -3.782 7.837 1.00 0.00 C ATOM 368 CG LYS A 26 -9.864 -2.690 8.083 1.00 0.00 C ATOM 369 CD LYS A 26 -9.918 -2.292 9.551 1.00 0.00 C ATOM 370 CE LYS A 26 -11.211 -2.748 10.207 1.00 0.00 C ATOM 371 NZ LYS A 26 -10.985 -3.253 11.590 1.00 0.00 N ATOM 0 H LYS A 26 -8.870 -6.811 7.291 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.182 -4.459 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.629 -4.295 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.901 -3.323 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.621 -1.817 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.847 -3.036 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.069 -2.727 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.827 -1.209 9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.916 -1.918 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.667 -3.533 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.822 -3.782 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.155 -3.880 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.819 -2.450 12.230 1.00 0.00 H new ATOM 385 N ASP A 27 -8.418 -4.374 4.565 1.00 0.00 N ATOM 386 CA ASP A 27 -7.461 -4.446 3.467 1.00 0.00 C ATOM 387 C ASP A 27 -6.375 -3.386 3.629 1.00 0.00 C ATOM 388 O ASP A 27 -6.654 -2.255 4.026 1.00 0.00 O ATOM 389 CB ASP A 27 -8.176 -4.262 2.126 1.00 0.00 C ATOM 390 CG ASP A 27 -8.405 -5.577 1.408 1.00 0.00 C ATOM 391 OD1 ASP A 27 -9.261 -6.363 1.866 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.728 -5.822 0.387 1.00 0.00 O ATOM 0 H ASP A 27 -9.257 -3.833 4.358 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.992 -5.430 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.135 -3.771 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.586 -3.602 1.490 1.00 0.00 H new ATOM 397 N VAL A 28 -5.136 -3.760 3.325 1.00 0.00 N ATOM 398 CA VAL A 28 -4.013 -2.838 3.444 1.00 0.00 C ATOM 399 C VAL A 28 -3.119 -2.888 2.209 1.00 0.00 C ATOM 400 O VAL A 28 -2.879 -3.956 1.644 1.00 0.00 O ATOM 401 CB VAL A 28 -3.165 -3.148 4.692 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.127 -2.058 4.921 1.00 0.00 C ATOM 403 CG2 VAL A 28 -4.055 -3.311 5.915 1.00 0.00 C ATOM 0 H VAL A 28 -4.885 -4.692 2.995 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.436 -1.838 3.538 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.639 -4.088 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.539 -2.296 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.469 -1.995 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.630 -1.102 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.439 -3.530 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.611 -2.389 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.754 -4.131 5.750 1.00 0.00 H new ATOM 413 N LEU A 29 -2.629 -1.723 1.798 1.00 0.00 N ATOM 414 CA LEU A 29 -1.758 -1.624 0.632 1.00 0.00 C ATOM 415 C LEU A 29 -0.446 -0.935 0.996 1.00 0.00 C ATOM 416 O LEU A 29 -0.396 0.285 1.146 1.00 0.00 O ATOM 417 CB LEU A 29 -2.456 -0.853 -0.494 1.00 0.00 C ATOM 418 CG LEU A 29 -3.981 -0.981 -0.525 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.591 0.107 -1.396 1.00 0.00 C ATOM 420 CD2 LEU A 29 -4.389 -2.359 -1.024 1.00 0.00 C ATOM 0 H LEU A 29 -2.821 -0.832 2.256 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.538 -2.634 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.198 0.202 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.059 -1.198 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.358 -0.858 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.676 -0.000 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.327 1.085 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.208 0.017 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.476 -2.433 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.000 -2.511 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.983 -3.122 -0.359 1.00 0.00 H new ATOM 432 N ILE A 30 0.613 -1.725 1.139 1.00 0.00 N ATOM 433 CA ILE A 30 1.924 -1.189 1.489 1.00 0.00 C ATOM 434 C ILE A 30 2.825 -1.099 0.261 1.00 0.00 C ATOM 435 O ILE A 30 2.998 -2.076 -0.463 1.00 0.00 O ATOM 436 CB ILE A 30 2.617 -2.058 2.560 1.00 0.00 C ATOM 437 CG1 ILE A 30 3.965 -1.446 2.955 1.00 0.00 C ATOM 438 CG2 ILE A 30 2.800 -3.483 2.053 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.755 -2.297 3.926 1.00 0.00 C ATOM 0 H ILE A 30 0.589 -2.738 1.018 1.00 0.00 H new ATOM 0 HA ILE A 30 1.762 -0.189 1.892 1.00 0.00 H new ATOM 0 HB ILE A 30 1.982 -2.089 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.560 -1.288 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.793 -0.466 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.290 -4.082 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.826 -3.915 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.415 -3.473 1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.697 -1.802 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.179 -2.434 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.958 -3.269 3.476 1.00 0.00 H new ATOM 451 N GLU A 31 3.397 0.079 0.033 1.00 0.00 N ATOM 452 CA GLU A 31 4.279 0.287 -1.110 1.00 0.00 C ATOM 453 C GLU A 31 5.692 0.649 -0.659 1.00 0.00 C ATOM 454 O GLU A 31 5.891 1.610 0.085 1.00 0.00 O ATOM 455 CB GLU A 31 3.724 1.384 -2.019 1.00 0.00 C ATOM 456 CG GLU A 31 4.455 1.502 -3.346 1.00 0.00 C ATOM 457 CD GLU A 31 5.739 2.301 -3.235 1.00 0.00 C ATOM 458 OE1 GLU A 31 5.760 3.287 -2.468 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.723 1.941 -3.914 1.00 0.00 O ATOM 0 H GLU A 31 3.266 0.901 0.622 1.00 0.00 H new ATOM 0 HA GLU A 31 4.328 -0.648 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.669 1.186 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.779 2.339 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.683 0.504 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.799 1.975 -4.077 1.00 0.00 H new ATOM 466 N PHE A 32 6.668 -0.129 -1.118 1.00 0.00 N ATOM 467 CA PHE A 32 8.065 0.102 -0.770 1.00 0.00 C ATOM 468 C PHE A 32 8.761 0.932 -1.843 1.00 0.00 C ATOM 469 O PHE A 32 8.855 0.517 -3.000 1.00 0.00 O ATOM 470 CB PHE A 32 8.796 -1.230 -0.592 1.00 0.00 C ATOM 471 CG PHE A 32 8.578 -1.860 0.754 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.196 -1.346 1.883 1.00 0.00 C ATOM 473 CD2 PHE A 32 7.755 -2.967 0.890 1.00 0.00 C ATOM 474 CE1 PHE A 32 8.997 -1.924 3.122 1.00 0.00 C ATOM 475 CE2 PHE A 32 7.552 -3.549 2.126 1.00 0.00 C ATOM 476 CZ PHE A 32 8.174 -3.027 3.244 1.00 0.00 C ATOM 0 H PHE A 32 6.515 -0.928 -1.734 1.00 0.00 H new ATOM 0 HA PHE A 32 8.092 0.653 0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.465 -1.923 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.864 -1.072 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.840 -0.484 1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.267 -3.379 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.484 -1.514 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.908 -4.411 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.017 -3.480 4.212 1.00 0.00 H new ATOM 486 N TYR A 33 9.247 2.107 -1.452 1.00 0.00 N ATOM 487 CA TYR A 33 9.935 2.998 -2.379 1.00 0.00 C ATOM 488 C TYR A 33 11.145 3.650 -1.715 1.00 0.00 C ATOM 489 O TYR A 33 11.376 3.479 -0.518 1.00 0.00 O ATOM 490 CB TYR A 33 8.975 4.077 -2.887 1.00 0.00 C ATOM 491 CG TYR A 33 8.511 5.033 -1.811 1.00 0.00 C ATOM 492 CD1 TYR A 33 7.627 4.621 -0.821 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.958 6.348 -1.785 1.00 0.00 C ATOM 494 CE1 TYR A 33 7.201 5.493 0.163 1.00 0.00 C ATOM 495 CE2 TYR A 33 8.538 7.226 -0.804 1.00 0.00 C ATOM 496 CZ TYR A 33 7.660 6.794 0.167 1.00 0.00 C ATOM 497 OH TYR A 33 7.239 7.665 1.146 1.00 0.00 O ATOM 0 H TYR A 33 9.177 2.464 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 33 10.285 2.403 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.466 4.644 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.105 3.596 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.267 3.603 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.646 6.690 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.513 5.158 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.896 8.245 -0.798 1.00 0.00 H new ATOM 0 HH TYR A 33 7.656 8.541 1.006 1.00 0.00 H new ATOM 507 N ALA A 34 11.911 4.399 -2.501 1.00 0.00 N ATOM 508 CA ALA A 34 13.095 5.081 -1.992 1.00 0.00 C ATOM 509 C ALA A 34 13.272 6.442 -2.663 1.00 0.00 C ATOM 510 O ALA A 34 12.959 6.605 -3.843 1.00 0.00 O ATOM 511 CB ALA A 34 14.332 4.220 -2.201 1.00 0.00 C ATOM 0 H ALA A 34 11.733 4.549 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 34 12.960 5.246 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.208 4.742 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.211 3.275 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.464 4.025 -3.265 1.00 0.00 H new ATOM 517 N PRO A 35 13.779 7.442 -1.919 1.00 0.00 N ATOM 518 CA PRO A 35 13.994 8.791 -2.454 1.00 0.00 C ATOM 519 C PRO A 35 15.119 8.834 -3.483 1.00 0.00 C ATOM 520 O PRO A 35 14.972 9.424 -4.553 1.00 0.00 O ATOM 521 CB PRO A 35 14.368 9.611 -1.217 1.00 0.00 C ATOM 522 CG PRO A 35 14.926 8.619 -0.257 1.00 0.00 C ATOM 523 CD PRO A 35 14.180 7.337 -0.504 1.00 0.00 C ATOM 0 HA PRO A 35 13.115 9.165 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.100 10.381 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.498 10.118 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.996 8.484 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.794 8.955 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.810 6.465 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.315 7.242 0.153 1.00 0.00 H new ATOM 531 N TRP A 36 16.241 8.203 -3.153 1.00 0.00 N ATOM 532 CA TRP A 36 17.391 8.168 -4.051 1.00 0.00 C ATOM 533 C TRP A 36 17.191 7.145 -5.170 1.00 0.00 C ATOM 534 O TRP A 36 18.031 7.020 -6.062 1.00 0.00 O ATOM 535 CB TRP A 36 18.664 7.840 -3.268 1.00 0.00 C ATOM 536 CG TRP A 36 18.522 6.646 -2.374 1.00 0.00 C ATOM 537 CD1 TRP A 36 18.377 5.345 -2.761 1.00 0.00 C ATOM 538 CD2 TRP A 36 18.510 6.643 -0.942 1.00 0.00 C ATOM 539 NE1 TRP A 36 18.276 4.533 -1.657 1.00 0.00 N ATOM 540 CE2 TRP A 36 18.355 5.307 -0.529 1.00 0.00 C ATOM 541 CE3 TRP A 36 18.616 7.642 0.031 1.00 0.00 C ATOM 542 CZ2 TRP A 36 18.303 4.944 0.815 1.00 0.00 C ATOM 543 CZ3 TRP A 36 18.565 7.280 1.364 1.00 0.00 C ATOM 544 CH2 TRP A 36 18.410 5.942 1.745 1.00 0.00 C ATOM 0 H TRP A 36 16.379 7.709 -2.271 1.00 0.00 H new ATOM 0 HA TRP A 36 17.491 9.154 -4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 36 19.478 7.664 -3.971 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.944 8.704 -2.666 1.00 0.00 H new ATOM 0 HD1 TRP A 36 18.346 5.004 -3.785 1.00 0.00 H new ATOM 0 HE1 TRP A 36 18.161 3.520 -1.674 1.00 0.00 H new ATOM 0 HE3 TRP A 36 18.735 8.677 -0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.183 3.913 1.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 18.646 8.042 2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.374 5.692 2.795 1.00 0.00 H new ATOM 555 N CYS A 37 16.077 6.416 -5.120 1.00 0.00 N ATOM 556 CA CYS A 37 15.771 5.407 -6.130 1.00 0.00 C ATOM 557 C CYS A 37 15.903 5.976 -7.541 1.00 0.00 C ATOM 558 O CYS A 37 16.505 5.355 -8.417 1.00 0.00 O ATOM 559 CB CYS A 37 14.351 4.867 -5.919 1.00 0.00 C ATOM 560 SG CYS A 37 13.751 3.784 -7.260 1.00 0.00 S ATOM 0 H CYS A 37 15.371 6.506 -4.389 1.00 0.00 H new ATOM 0 HA CYS A 37 16.490 4.595 -6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.321 4.314 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.667 5.709 -5.814 1.00 0.00 H new ATOM 565 N GLY A 38 15.322 7.151 -7.756 1.00 0.00 N ATOM 566 CA GLY A 38 15.370 7.773 -9.065 1.00 0.00 C ATOM 567 C GLY A 38 14.120 7.478 -9.868 1.00 0.00 C ATOM 568 O GLY A 38 13.592 8.350 -10.558 1.00 0.00 O ATOM 0 H GLY A 38 14.819 7.684 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.485 8.851 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.245 7.414 -9.607 1.00 0.00 H new ATOM 572 N HIS A 39 13.641 6.242 -9.763 1.00 0.00 N ATOM 573 CA HIS A 39 12.437 5.818 -10.466 1.00 0.00 C ATOM 574 C HIS A 39 11.287 5.588 -9.485 1.00 0.00 C ATOM 575 O HIS A 39 10.173 5.257 -9.888 1.00 0.00 O ATOM 576 CB HIS A 39 12.708 4.537 -11.258 1.00 0.00 C ATOM 577 CG HIS A 39 12.041 4.510 -12.598 1.00 0.00 C ATOM 578 ND1 HIS A 39 12.580 3.869 -13.695 1.00 0.00 N ATOM 579 CD2 HIS A 39 10.871 5.048 -13.017 1.00 0.00 C ATOM 580 CE1 HIS A 39 11.771 4.016 -14.729 1.00 0.00 C ATOM 581 NE2 HIS A 39 10.727 4.726 -14.344 1.00 0.00 N ATOM 0 H HIS A 39 14.072 5.513 -9.194 1.00 0.00 H new ATOM 0 HA HIS A 39 12.151 6.611 -11.157 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.784 4.424 -11.394 1.00 0.00 H new ATOM 0 HB3 HIS A 39 12.369 3.681 -10.675 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.465 3.361 -13.706 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.180 5.623 -12.419 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.936 3.622 -15.721 1.00 0.00 H new ATOM 590 N CYS A 40 11.567 5.764 -8.193 1.00 0.00 N ATOM 591 CA CYS A 40 10.558 5.574 -7.158 1.00 0.00 C ATOM 592 C CYS A 40 10.110 6.911 -6.576 1.00 0.00 C ATOM 593 O CYS A 40 9.018 7.020 -6.018 1.00 0.00 O ATOM 594 CB CYS A 40 11.107 4.685 -6.041 1.00 0.00 C ATOM 595 SG CYS A 40 11.923 3.165 -6.625 1.00 0.00 S ATOM 0 H CYS A 40 12.485 6.038 -7.842 1.00 0.00 H new ATOM 0 HA CYS A 40 9.696 5.089 -7.616 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.819 5.262 -5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.289 4.411 -5.375 1.00 0.00 H new ATOM 600 N LYS A 41 10.960 7.928 -6.704 1.00 0.00 N ATOM 601 CA LYS A 41 10.650 9.257 -6.185 1.00 0.00 C ATOM 602 C LYS A 41 9.261 9.713 -6.625 1.00 0.00 C ATOM 603 O LYS A 41 8.614 10.508 -5.943 1.00 0.00 O ATOM 604 CB LYS A 41 11.704 10.265 -6.649 1.00 0.00 C ATOM 605 CG LYS A 41 12.079 11.284 -5.586 1.00 0.00 C ATOM 606 CD LYS A 41 12.486 12.612 -6.205 1.00 0.00 C ATOM 607 CE LYS A 41 11.311 13.573 -6.283 1.00 0.00 C ATOM 608 NZ LYS A 41 10.680 13.572 -7.633 1.00 0.00 N ATOM 0 H LYS A 41 11.868 7.856 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 41 10.660 9.203 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.600 9.726 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.331 10.790 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.234 11.438 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.900 10.896 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.285 13.060 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.885 12.442 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.567 13.299 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.650 14.581 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.424 14.545 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.351 13.189 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.824 12.982 -7.616 1.00 0.00 H new ATOM 622 N ALA A 42 8.806 9.202 -7.766 1.00 0.00 N ATOM 623 CA ALA A 42 7.492 9.554 -8.290 1.00 0.00 C ATOM 624 C ALA A 42 6.393 8.774 -7.574 1.00 0.00 C ATOM 625 O ALA A 42 5.261 9.243 -7.454 1.00 0.00 O ATOM 626 CB ALA A 42 7.435 9.296 -9.788 1.00 0.00 C ATOM 0 H ALA A 42 9.328 8.544 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 42 7.326 10.616 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.448 9.563 -10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.191 9.899 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.625 8.240 -9.983 1.00 0.00 H new ATOM 632 N LEU A 43 6.736 7.581 -7.099 1.00 0.00 N ATOM 633 CA LEU A 43 5.783 6.733 -6.392 1.00 0.00 C ATOM 634 C LEU A 43 5.301 7.408 -5.110 1.00 0.00 C ATOM 635 O LEU A 43 4.177 7.183 -4.663 1.00 0.00 O ATOM 636 CB LEU A 43 6.423 5.381 -6.063 1.00 0.00 C ATOM 637 CG LEU A 43 5.597 4.157 -6.462 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.226 4.200 -5.805 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.464 4.075 -7.976 1.00 0.00 C ATOM 0 H LEU A 43 7.669 7.179 -7.191 1.00 0.00 H new ATOM 0 HA LEU A 43 4.922 6.573 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.391 5.324 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.613 5.338 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 43 6.115 3.263 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.653 3.321 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.342 4.210 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.699 5.100 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.873 3.198 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.969 4.972 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.454 3.995 -8.424 1.00 0.00 H new ATOM 651 N ALA A 44 6.162 8.233 -4.522 1.00 0.00 N ATOM 652 CA ALA A 44 5.830 8.938 -3.290 1.00 0.00 C ATOM 653 C ALA A 44 4.655 9.895 -3.491 1.00 0.00 C ATOM 654 O ALA A 44 3.608 9.740 -2.864 1.00 0.00 O ATOM 655 CB ALA A 44 7.047 9.692 -2.772 1.00 0.00 C ATOM 0 H ALA A 44 7.097 8.430 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 44 5.529 8.196 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.787 10.215 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.854 8.987 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.373 10.415 -3.520 1.00 0.00 H new ATOM 661 N PRO A 45 4.813 10.902 -4.370 1.00 0.00 N ATOM 662 CA PRO A 45 3.756 11.883 -4.641 1.00 0.00 C ATOM 663 C PRO A 45 2.487 11.235 -5.181 1.00 0.00 C ATOM 664 O PRO A 45 1.377 11.659 -4.859 1.00 0.00 O ATOM 665 CB PRO A 45 4.375 12.812 -5.694 1.00 0.00 C ATOM 666 CG PRO A 45 5.518 12.047 -6.268 1.00 0.00 C ATOM 667 CD PRO A 45 6.025 11.168 -5.162 1.00 0.00 C ATOM 0 HA PRO A 45 3.447 12.401 -3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.649 13.072 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.712 13.746 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.199 11.452 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.300 12.720 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.466 10.248 -5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.793 11.666 -4.570 1.00 0.00 H new ATOM 675 N LYS A 46 2.655 10.204 -6.003 1.00 0.00 N ATOM 676 CA LYS A 46 1.517 9.500 -6.583 1.00 0.00 C ATOM 677 C LYS A 46 0.708 8.792 -5.501 1.00 0.00 C ATOM 678 O LYS A 46 -0.503 8.609 -5.636 1.00 0.00 O ATOM 679 CB LYS A 46 1.997 8.487 -7.626 1.00 0.00 C ATOM 680 CG LYS A 46 1.115 8.423 -8.862 1.00 0.00 C ATOM 681 CD LYS A 46 1.133 9.736 -9.628 1.00 0.00 C ATOM 682 CE LYS A 46 2.078 9.675 -10.817 1.00 0.00 C ATOM 683 NZ LYS A 46 2.487 11.032 -11.273 1.00 0.00 N ATOM 0 H LYS A 46 3.565 9.838 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 46 0.874 10.234 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.013 8.742 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.039 7.499 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.455 7.617 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.092 8.186 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.126 9.970 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.437 10.543 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.964 9.101 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.594 9.147 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.131 10.946 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.644 11.572 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.972 11.527 -10.498 1.00 0.00 H new ATOM 697 N TYR A 47 1.383 8.399 -4.425 1.00 0.00 N ATOM 698 CA TYR A 47 0.725 7.714 -3.319 1.00 0.00 C ATOM 699 C TYR A 47 0.017 8.710 -2.406 1.00 0.00 C ATOM 700 O TYR A 47 -0.957 8.367 -1.737 1.00 0.00 O ATOM 701 CB TYR A 47 1.742 6.896 -2.519 1.00 0.00 C ATOM 702 CG TYR A 47 1.393 5.428 -2.423 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.800 4.532 -3.403 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.654 4.939 -1.352 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.481 3.190 -3.319 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.332 3.599 -1.261 1.00 0.00 C ATOM 707 CZ TYR A 47 0.747 2.728 -2.247 1.00 0.00 C ATOM 708 OH TYR A 47 0.428 1.393 -2.160 1.00 0.00 O ATOM 0 H TYR A 47 2.384 8.543 -4.296 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.023 7.039 -3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.724 6.999 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.819 7.310 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.375 4.890 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.326 5.618 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.805 2.506 -4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.242 3.235 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.091 1.233 -1.344 1.00 0.00 H new ATOM 718 N GLU A 48 0.510 9.944 -2.385 1.00 0.00 N ATOM 719 CA GLU A 48 -0.082 10.987 -1.556 1.00 0.00 C ATOM 720 C GLU A 48 -1.443 11.402 -2.104 1.00 0.00 C ATOM 721 O GLU A 48 -2.362 11.711 -1.346 1.00 0.00 O ATOM 722 CB GLU A 48 0.846 12.201 -1.485 1.00 0.00 C ATOM 723 CG GLU A 48 1.851 12.134 -0.346 1.00 0.00 C ATOM 724 CD GLU A 48 1.290 12.667 0.958 1.00 0.00 C ATOM 725 OE1 GLU A 48 0.076 12.498 1.195 1.00 0.00 O ATOM 726 OE2 GLU A 48 2.066 13.254 1.741 1.00 0.00 O ATOM 0 H GLU A 48 1.317 10.246 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.219 10.588 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.384 12.292 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.243 13.102 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.167 11.100 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.739 12.705 -0.616 1.00 0.00 H new ATOM 733 N GLU A 49 -1.563 11.404 -3.428 1.00 0.00 N ATOM 734 CA GLU A 49 -2.811 11.778 -4.082 1.00 0.00 C ATOM 735 C GLU A 49 -3.861 10.685 -3.911 1.00 0.00 C ATOM 736 O GLU A 49 -4.970 10.943 -3.444 1.00 0.00 O ATOM 737 CB GLU A 49 -2.572 12.045 -5.569 1.00 0.00 C ATOM 738 CG GLU A 49 -3.394 13.199 -6.119 1.00 0.00 C ATOM 739 CD GLU A 49 -3.587 13.113 -7.621 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.477 12.356 -8.062 1.00 0.00 O ATOM 741 OE2 GLU A 49 -2.848 13.802 -8.355 1.00 0.00 O ATOM 0 H GLU A 49 -0.811 11.151 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.181 12.690 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.514 12.256 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.805 11.142 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.369 13.211 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.903 14.140 -5.873 1.00 0.00 H new ATOM 748 N LEU A 50 -3.503 9.461 -4.290 1.00 0.00 N ATOM 749 CA LEU A 50 -4.416 8.330 -4.175 1.00 0.00 C ATOM 750 C LEU A 50 -4.819 8.102 -2.720 1.00 0.00 C ATOM 751 O LEU A 50 -5.903 7.589 -2.440 1.00 0.00 O ATOM 752 CB LEU A 50 -3.767 7.064 -4.746 1.00 0.00 C ATOM 753 CG LEU A 50 -4.522 5.762 -4.467 1.00 0.00 C ATOM 754 CD1 LEU A 50 -5.918 5.814 -5.068 1.00 0.00 C ATOM 755 CD2 LEU A 50 -3.748 4.571 -5.012 1.00 0.00 C ATOM 0 H LEU A 50 -2.589 9.228 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.314 8.558 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.665 7.182 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.760 6.976 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.619 5.644 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.439 4.880 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.472 6.644 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.845 5.956 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.299 3.654 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.620 4.682 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.770 4.523 -4.533 1.00 0.00 H new ATOM 767 N GLY A 51 -3.941 8.486 -1.799 1.00 0.00 N ATOM 768 CA GLY A 51 -4.224 8.313 -0.386 1.00 0.00 C ATOM 769 C GLY A 51 -5.351 9.206 0.094 1.00 0.00 C ATOM 770 O GLY A 51 -6.274 8.744 0.764 1.00 0.00 O ATOM 0 H GLY A 51 -3.039 8.914 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.484 7.272 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.324 8.528 0.190 1.00 0.00 H new ATOM 774 N ALA A 52 -5.275 10.488 -0.247 1.00 0.00 N ATOM 775 CA ALA A 52 -6.297 11.447 0.156 1.00 0.00 C ATOM 776 C ALA A 52 -7.614 11.190 -0.570 1.00 0.00 C ATOM 777 O ALA A 52 -8.688 11.501 -0.055 1.00 0.00 O ATOM 778 CB ALA A 52 -5.818 12.868 -0.105 1.00 0.00 C ATOM 0 H ALA A 52 -4.517 10.887 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.473 11.323 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.590 13.574 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.908 13.056 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.612 12.993 -1.168 1.00 0.00 H new ATOM 784 N LEU A 53 -7.524 10.622 -1.769 1.00 0.00 N ATOM 785 CA LEU A 53 -8.710 10.325 -2.564 1.00 0.00 C ATOM 786 C LEU A 53 -9.430 9.088 -2.032 1.00 0.00 C ATOM 787 O LEU A 53 -10.573 9.169 -1.582 1.00 0.00 O ATOM 788 CB LEU A 53 -8.325 10.119 -4.032 1.00 0.00 C ATOM 789 CG LEU A 53 -8.879 11.166 -5.000 1.00 0.00 C ATOM 790 CD1 LEU A 53 -8.211 12.512 -4.769 1.00 0.00 C ATOM 791 CD2 LEU A 53 -8.688 10.714 -6.440 1.00 0.00 C ATOM 0 H LEU A 53 -6.643 10.359 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.390 11.174 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.238 10.114 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.671 9.135 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.947 11.277 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.618 13.244 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.399 12.841 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.137 12.417 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.088 11.471 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.626 10.575 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.214 9.772 -6.599 1.00 0.00 H new ATOM 803 N TYR A 54 -8.754 7.945 -2.091 1.00 0.00 N ATOM 804 CA TYR A 54 -9.330 6.690 -1.617 1.00 0.00 C ATOM 805 C TYR A 54 -9.749 6.797 -0.153 1.00 0.00 C ATOM 806 O TYR A 54 -10.686 6.129 0.285 1.00 0.00 O ATOM 807 CB TYR A 54 -8.326 5.547 -1.793 1.00 0.00 C ATOM 808 CG TYR A 54 -8.898 4.343 -2.507 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.610 4.488 -3.691 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.725 3.062 -1.997 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.134 3.390 -4.347 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.246 1.959 -2.648 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.950 2.129 -3.821 1.00 0.00 C ATOM 814 OH TYR A 54 -10.470 1.033 -4.471 1.00 0.00 O ATOM 0 H TYR A 54 -7.808 7.861 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.219 6.480 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.464 5.914 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.963 5.239 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.756 5.474 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.175 2.926 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.685 3.519 -5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.102 0.970 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.250 0.220 -3.969 1.00 0.00 H new ATOM 824 N ALA A 55 -9.050 7.641 0.599 1.00 0.00 N ATOM 825 CA ALA A 55 -9.351 7.834 2.013 1.00 0.00 C ATOM 826 C ALA A 55 -10.667 8.582 2.198 1.00 0.00 C ATOM 827 O ALA A 55 -11.411 8.324 3.144 1.00 0.00 O ATOM 828 CB ALA A 55 -8.216 8.582 2.695 1.00 0.00 C ATOM 0 H ALA A 55 -8.272 8.202 0.253 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.455 6.852 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.453 8.720 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.294 8.008 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.086 9.556 2.222 1.00 0.00 H new ATOM 834 N LYS A 56 -10.948 9.509 1.289 1.00 0.00 N ATOM 835 CA LYS A 56 -12.176 10.294 1.353 1.00 0.00 C ATOM 836 C LYS A 56 -13.381 9.457 0.934 1.00 0.00 C ATOM 837 O LYS A 56 -14.500 9.690 1.392 1.00 0.00 O ATOM 838 CB LYS A 56 -12.062 11.531 0.459 1.00 0.00 C ATOM 839 CG LYS A 56 -12.679 12.780 1.069 1.00 0.00 C ATOM 840 CD LYS A 56 -13.417 13.604 0.026 1.00 0.00 C ATOM 841 CE LYS A 56 -12.459 14.464 -0.784 1.00 0.00 C ATOM 842 NZ LYS A 56 -11.781 13.682 -1.854 1.00 0.00 N ATOM 0 H LYS A 56 -10.343 9.735 0.500 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.321 10.612 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.010 11.721 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.546 11.325 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.369 12.495 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.898 13.386 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.966 12.940 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.153 14.241 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.006 15.294 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.710 14.897 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.414 14.331 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.993 13.141 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.461 13.026 -2.289 1.00 0.00 H new ATOM 856 N SER A 57 -13.144 8.481 0.063 1.00 0.00 N ATOM 857 CA SER A 57 -14.211 7.609 -0.417 1.00 0.00 C ATOM 858 C SER A 57 -14.894 6.894 0.745 1.00 0.00 C ATOM 859 O SER A 57 -14.609 7.170 1.910 1.00 0.00 O ATOM 860 CB SER A 57 -13.652 6.584 -1.407 1.00 0.00 C ATOM 861 OG SER A 57 -14.459 6.505 -2.570 1.00 0.00 O ATOM 0 H SER A 57 -12.223 8.274 -0.325 1.00 0.00 H new ATOM 0 HA SER A 57 -14.952 8.227 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.635 6.859 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.599 5.605 -0.930 1.00 0.00 H new ATOM 0 HG SER A 57 -14.080 5.845 -3.187 1.00 0.00 H new ATOM 867 N GLU A 58 -15.798 5.976 0.420 1.00 0.00 N ATOM 868 CA GLU A 58 -16.523 5.223 1.438 1.00 0.00 C ATOM 869 C GLU A 58 -15.871 3.864 1.681 1.00 0.00 C ATOM 870 O GLU A 58 -16.548 2.893 2.019 1.00 0.00 O ATOM 871 CB GLU A 58 -17.982 5.033 1.019 1.00 0.00 C ATOM 872 CG GLU A 58 -18.144 4.309 -0.308 1.00 0.00 C ATOM 873 CD GLU A 58 -19.255 3.277 -0.277 1.00 0.00 C ATOM 874 OE1 GLU A 58 -20.424 3.670 -0.083 1.00 0.00 O ATOM 875 OE2 GLU A 58 -18.955 2.077 -0.447 1.00 0.00 O ATOM 0 H GLU A 58 -16.046 5.735 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.489 5.793 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.504 4.473 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.462 6.009 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.351 5.037 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -17.205 3.819 -0.568 1.00 0.00 H new ATOM 882 N PHE A 59 -14.555 3.804 1.508 1.00 0.00 N ATOM 883 CA PHE A 59 -13.814 2.564 1.711 1.00 0.00 C ATOM 884 C PHE A 59 -12.595 2.797 2.598 1.00 0.00 C ATOM 885 O PHE A 59 -11.580 2.113 2.468 1.00 0.00 O ATOM 886 CB PHE A 59 -13.376 1.981 0.367 1.00 0.00 C ATOM 887 CG PHE A 59 -14.515 1.744 -0.583 1.00 0.00 C ATOM 888 CD1 PHE A 59 -15.414 0.713 -0.363 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.687 2.552 -1.695 1.00 0.00 C ATOM 890 CE1 PHE A 59 -16.464 0.492 -1.235 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.734 2.337 -2.570 1.00 0.00 C ATOM 892 CZ PHE A 59 -16.624 1.306 -2.340 1.00 0.00 C ATOM 0 H PHE A 59 -13.980 4.598 1.228 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.474 1.854 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.660 2.659 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.856 1.039 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -15.293 0.075 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.994 3.360 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -17.158 -0.315 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.857 2.974 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.444 1.136 -3.023 1.00 0.00 H new ATOM 902 N LYS A 60 -12.702 3.767 3.501 1.00 0.00 N ATOM 903 CA LYS A 60 -11.609 4.089 4.411 1.00 0.00 C ATOM 904 C LYS A 60 -11.457 3.013 5.480 1.00 0.00 C ATOM 905 O LYS A 60 -10.357 2.765 5.974 1.00 0.00 O ATOM 906 CB LYS A 60 -11.849 5.449 5.069 1.00 0.00 C ATOM 907 CG LYS A 60 -13.116 5.504 5.907 1.00 0.00 C ATOM 908 CD LYS A 60 -13.772 6.874 5.835 1.00 0.00 C ATOM 909 CE LYS A 60 -15.190 6.842 6.383 1.00 0.00 C ATOM 910 NZ LYS A 60 -16.109 6.074 5.499 1.00 0.00 N ATOM 0 H LYS A 60 -13.535 4.343 3.622 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.687 4.132 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.995 5.694 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.902 6.214 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.817 4.745 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.878 5.267 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.179 7.593 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.788 7.217 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.185 6.395 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.560 7.861 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.094 6.320 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.912 6.309 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.964 5.055 5.649 1.00 0.00 H new ATOM 924 N ASP A 61 -12.569 2.376 5.834 1.00 0.00 N ATOM 925 CA ASP A 61 -12.558 1.326 6.845 1.00 0.00 C ATOM 926 C ASP A 61 -12.115 -0.004 6.244 1.00 0.00 C ATOM 927 O ASP A 61 -11.526 -0.840 6.929 1.00 0.00 O ATOM 928 CB ASP A 61 -13.945 1.179 7.473 1.00 0.00 C ATOM 929 CG ASP A 61 -14.267 2.304 8.437 1.00 0.00 C ATOM 930 OD1 ASP A 61 -14.401 3.458 7.979 1.00 0.00 O ATOM 931 OD2 ASP A 61 -14.385 2.031 9.650 1.00 0.00 O ATOM 0 H ASP A 61 -13.488 2.569 5.436 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.845 1.609 7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.697 1.154 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.003 0.226 7.999 1.00 0.00 H new ATOM 936 N ARG A 62 -12.403 -0.194 4.960 1.00 0.00 N ATOM 937 CA ARG A 62 -12.033 -1.423 4.267 1.00 0.00 C ATOM 938 C ARG A 62 -10.594 -1.353 3.765 1.00 0.00 C ATOM 939 O ARG A 62 -9.696 -1.971 4.337 1.00 0.00 O ATOM 940 CB ARG A 62 -12.985 -1.679 3.096 1.00 0.00 C ATOM 941 CG ARG A 62 -14.122 -2.629 3.433 1.00 0.00 C ATOM 942 CD ARG A 62 -15.012 -2.068 4.531 1.00 0.00 C ATOM 943 NE ARG A 62 -15.363 -3.082 5.522 1.00 0.00 N ATOM 944 CZ ARG A 62 -16.311 -3.999 5.342 1.00 0.00 C ATOM 945 NH1 ARG A 62 -17.005 -4.032 4.210 1.00 0.00 N ATOM 946 NH2 ARG A 62 -16.566 -4.884 6.294 1.00 0.00 N ATOM 0 H ARG A 62 -12.891 0.487 4.379 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.110 -2.248 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.403 -0.729 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.417 -2.087 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.718 -2.815 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.714 -3.589 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.502 -1.241 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.922 -1.663 4.089 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.851 -3.088 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.813 -3.353 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.730 -4.737 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.036 -4.863 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.292 -5.587 6.156 1.00 0.00 H new ATOM 960 N VAL A 63 -10.383 -0.595 2.694 1.00 0.00 N ATOM 961 CA VAL A 63 -9.054 -0.443 2.115 1.00 0.00 C ATOM 962 C VAL A 63 -8.387 0.837 2.605 1.00 0.00 C ATOM 963 O VAL A 63 -9.032 1.879 2.722 1.00 0.00 O ATOM 964 CB VAL A 63 -9.107 -0.421 0.576 1.00 0.00 C ATOM 965 CG1 VAL A 63 -7.705 -0.486 -0.008 1.00 0.00 C ATOM 966 CG2 VAL A 63 -9.963 -1.566 0.055 1.00 0.00 C ATOM 0 H VAL A 63 -11.116 -0.076 2.210 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.469 -1.305 2.437 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.564 0.517 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.763 -0.469 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.127 0.371 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.218 -1.406 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.989 -1.534 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.538 -2.515 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.976 -1.469 0.445 1.00 0.00 H new ATOM 976 N VAL A 64 -7.092 0.754 2.890 1.00 0.00 N ATOM 977 CA VAL A 64 -6.341 1.908 3.367 1.00 0.00 C ATOM 978 C VAL A 64 -4.994 2.019 2.659 1.00 0.00 C ATOM 979 O VAL A 64 -4.247 1.044 2.565 1.00 0.00 O ATOM 980 CB VAL A 64 -6.111 1.836 4.890 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.282 0.613 5.252 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.446 3.110 5.393 1.00 0.00 C ATOM 0 H VAL A 64 -6.541 -0.100 2.799 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.937 2.792 3.140 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.081 1.743 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.132 0.582 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.805 -0.288 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.315 0.668 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.292 3.039 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.484 3.239 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.085 3.965 5.173 1.00 0.00 H new ATOM 992 N ILE A 65 -4.689 3.214 2.164 1.00 0.00 N ATOM 993 CA ILE A 65 -3.432 3.456 1.467 1.00 0.00 C ATOM 994 C ILE A 65 -2.300 3.702 2.458 1.00 0.00 C ATOM 995 O ILE A 65 -2.359 4.632 3.263 1.00 0.00 O ATOM 996 CB ILE A 65 -3.539 4.665 0.517 1.00 0.00 C ATOM 997 CG1 ILE A 65 -4.801 4.559 -0.342 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.299 4.760 -0.361 1.00 0.00 C ATOM 999 CD1 ILE A 65 -4.779 3.396 -1.311 1.00 0.00 C ATOM 0 H ILE A 65 -5.296 4.031 2.233 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.215 2.563 0.881 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.607 5.573 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.668 4.460 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.928 5.485 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.389 5.619 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.416 4.879 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.202 3.850 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.705 3.384 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.932 3.503 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.684 2.462 -0.757 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.272 2.862 2.398 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.131 2.990 3.295 1.00 0.00 C ATOM 1013 C ALA A 66 1.185 2.983 2.525 1.00 0.00 C ATOM 1014 O ALA A 66 1.455 2.073 1.740 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.147 1.872 4.327 1.00 0.00 C ATOM 0 H ALA A 66 -1.206 2.087 1.738 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.212 3.949 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.710 1.978 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.067 1.928 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.096 0.908 3.820 1.00 0.00 H new ATOM 1021 N LYS A 67 2.005 4.003 2.761 1.00 0.00 N ATOM 1022 CA LYS A 67 3.296 4.115 2.095 1.00 0.00 C ATOM 1023 C LYS A 67 4.430 3.788 3.060 1.00 0.00 C ATOM 1024 O LYS A 67 4.280 3.915 4.275 1.00 0.00 O ATOM 1025 CB LYS A 67 3.482 5.523 1.523 1.00 0.00 C ATOM 1026 CG LYS A 67 3.621 6.603 2.585 1.00 0.00 C ATOM 1027 CD LYS A 67 4.317 7.839 2.037 1.00 0.00 C ATOM 1028 CE LYS A 67 3.667 9.116 2.545 1.00 0.00 C ATOM 1029 NZ LYS A 67 4.260 9.566 3.835 1.00 0.00 N ATOM 0 H LYS A 67 1.797 4.763 3.409 1.00 0.00 H new ATOM 0 HA LYS A 67 3.320 3.397 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.369 5.533 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.631 5.761 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.634 6.876 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.186 6.212 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.368 7.824 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.286 7.822 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.781 9.903 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.597 8.952 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.790 10.439 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.129 8.826 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.276 9.747 3.706 1.00 0.00 H new ATOM 1043 N VAL A 68 5.565 3.369 2.512 1.00 0.00 N ATOM 1044 CA VAL A 68 6.721 3.026 3.328 1.00 0.00 C ATOM 1045 C VAL A 68 7.970 2.859 2.469 1.00 0.00 C ATOM 1046 O VAL A 68 7.882 2.559 1.279 1.00 0.00 O ATOM 1047 CB VAL A 68 6.480 1.729 4.125 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.259 0.554 3.185 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.641 1.455 5.070 1.00 0.00 C ATOM 0 H VAL A 68 5.708 3.259 1.508 1.00 0.00 H new ATOM 0 HA VAL A 68 6.872 3.849 4.026 1.00 0.00 H new ATOM 0 HB VAL A 68 5.579 1.858 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.091 -0.352 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.389 0.749 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.139 0.422 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.451 0.535 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.561 1.349 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.744 2.284 5.770 1.00 0.00 H new ATOM 1059 N ASP A 69 9.132 3.050 3.083 1.00 0.00 N ATOM 1060 CA ASP A 69 10.399 2.913 2.378 1.00 0.00 C ATOM 1061 C ASP A 69 11.005 1.537 2.634 1.00 0.00 C ATOM 1062 O ASP A 69 10.850 0.975 3.718 1.00 0.00 O ATOM 1063 CB ASP A 69 11.374 4.006 2.817 1.00 0.00 C ATOM 1064 CG ASP A 69 11.389 5.185 1.863 1.00 0.00 C ATOM 1065 OD1 ASP A 69 10.305 5.741 1.590 1.00 0.00 O ATOM 1066 OD2 ASP A 69 12.485 5.551 1.389 1.00 0.00 O ATOM 0 H ASP A 69 9.222 3.300 4.068 1.00 0.00 H new ATOM 0 HA ASP A 69 10.211 3.019 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.102 4.352 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.378 3.587 2.888 1.00 0.00 H new ATOM 1071 N ALA A 70 11.692 0.998 1.633 1.00 0.00 N ATOM 1072 CA ALA A 70 12.317 -0.315 1.759 1.00 0.00 C ATOM 1073 C ALA A 70 13.701 -0.211 2.394 1.00 0.00 C ATOM 1074 O ALA A 70 14.662 -0.815 1.916 1.00 0.00 O ATOM 1075 CB ALA A 70 12.404 -0.989 0.397 1.00 0.00 C ATOM 0 H ALA A 70 11.830 1.448 0.728 1.00 0.00 H new ATOM 0 HA ALA A 70 11.695 -0.924 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.872 -1.968 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.402 -1.109 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.001 -0.373 -0.276 1.00 0.00 H new ATOM 1081 N THR A 71 13.795 0.558 3.474 1.00 0.00 N ATOM 1082 CA THR A 71 15.058 0.742 4.176 1.00 0.00 C ATOM 1083 C THR A 71 14.854 0.686 5.689 1.00 0.00 C ATOM 1084 O THR A 71 15.680 1.184 6.454 1.00 0.00 O ATOM 1085 CB THR A 71 15.694 2.078 3.781 1.00 0.00 C ATOM 1086 OG1 THR A 71 15.130 3.142 4.527 1.00 0.00 O ATOM 1087 CG2 THR A 71 15.530 2.410 2.313 1.00 0.00 C ATOM 0 H THR A 71 13.009 1.064 3.882 1.00 0.00 H new ATOM 0 HA THR A 71 15.727 -0.069 3.890 1.00 0.00 H new ATOM 0 HB THR A 71 16.757 1.965 3.994 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.550 3.986 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.003 3.369 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.999 1.633 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.469 2.468 2.069 1.00 0.00 H new ATOM 1095 N ALA A 72 13.746 0.083 6.113 1.00 0.00 N ATOM 1096 CA ALA A 72 13.432 -0.031 7.533 1.00 0.00 C ATOM 1097 C ALA A 72 14.038 -1.294 8.134 1.00 0.00 C ATOM 1098 O ALA A 72 14.732 -2.048 7.452 1.00 0.00 O ATOM 1099 CB ALA A 72 11.926 -0.015 7.742 1.00 0.00 C ATOM 0 H ALA A 72 13.051 -0.334 5.493 1.00 0.00 H new ATOM 0 HA ALA A 72 13.870 0.826 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.705 -0.101 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 72 11.516 0.920 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.476 -0.853 7.209 1.00 0.00 H new ATOM 1105 N ASN A 73 13.770 -1.517 9.417 1.00 0.00 N ATOM 1106 CA ASN A 73 14.288 -2.688 10.116 1.00 0.00 C ATOM 1107 C ASN A 73 13.257 -3.811 10.130 1.00 0.00 C ATOM 1108 O ASN A 73 12.060 -3.570 9.972 1.00 0.00 O ATOM 1109 CB ASN A 73 14.681 -2.329 11.553 1.00 0.00 C ATOM 1110 CG ASN A 73 15.157 -0.894 11.692 1.00 0.00 C ATOM 1111 OD1 ASN A 73 16.357 -0.622 11.679 1.00 0.00 O ATOM 1112 ND2 ASN A 73 14.213 0.031 11.827 1.00 0.00 N ATOM 0 H ASN A 73 13.197 -0.902 9.994 1.00 0.00 H new ATOM 0 HA ASN A 73 15.174 -3.031 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.825 -2.488 12.209 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.470 -3.003 11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.471 1.013 11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.230 -0.241 11.832 1.00 0.00 H new ATOM 1119 N ASP A 74 13.728 -5.040 10.323 1.00 0.00 N ATOM 1120 CA ASP A 74 12.847 -6.204 10.363 1.00 0.00 C ATOM 1121 C ASP A 74 11.925 -6.242 9.147 1.00 0.00 C ATOM 1122 O ASP A 74 10.744 -6.570 9.261 1.00 0.00 O ATOM 1123 CB ASP A 74 12.016 -6.194 11.648 1.00 0.00 C ATOM 1124 CG ASP A 74 11.845 -7.580 12.237 1.00 0.00 C ATOM 1125 OD1 ASP A 74 11.698 -8.543 11.456 1.00 0.00 O ATOM 1126 OD2 ASP A 74 11.860 -7.702 13.480 1.00 0.00 O ATOM 0 H ASP A 74 14.716 -5.256 10.454 1.00 0.00 H new ATOM 0 HA ASP A 74 13.471 -7.098 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.496 -5.547 12.382 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.035 -5.767 11.440 1.00 0.00 H new ATOM 1131 N VAL A 75 12.472 -5.905 7.984 1.00 0.00 N ATOM 1132 CA VAL A 75 11.699 -5.901 6.749 1.00 0.00 C ATOM 1133 C VAL A 75 12.418 -6.686 5.651 1.00 0.00 C ATOM 1134 O VAL A 75 13.343 -6.178 5.018 1.00 0.00 O ATOM 1135 CB VAL A 75 11.431 -4.464 6.259 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.737 -3.734 5.984 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.545 -4.475 5.022 1.00 0.00 C ATOM 0 H VAL A 75 13.448 -5.631 7.871 1.00 0.00 H new ATOM 0 HA VAL A 75 10.745 -6.381 6.966 1.00 0.00 H new ATOM 0 HB VAL A 75 10.905 -3.927 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.523 -2.722 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.328 -3.688 6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.297 -4.268 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.368 -3.451 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.039 -5.032 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.593 -4.949 5.261 1.00 0.00 H new ATOM 1147 N PRO A 76 12.004 -7.944 5.412 1.00 0.00 N ATOM 1148 CA PRO A 76 12.616 -8.796 4.391 1.00 0.00 C ATOM 1149 C PRO A 76 12.244 -8.357 2.977 1.00 0.00 C ATOM 1150 O PRO A 76 13.066 -7.785 2.260 1.00 0.00 O ATOM 1151 CB PRO A 76 12.057 -10.200 4.690 1.00 0.00 C ATOM 1152 CG PRO A 76 11.308 -10.080 5.980 1.00 0.00 C ATOM 1153 CD PRO A 76 10.918 -8.637 6.114 1.00 0.00 C ATOM 0 HA PRO A 76 13.704 -8.752 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.401 -10.538 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.862 -10.931 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.427 -10.721 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.929 -10.394 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.948 -8.436 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.850 -8.331 7.158 1.00 0.00 H new ATOM 1161 N ASP A 77 11.000 -8.622 2.582 1.00 0.00 N ATOM 1162 CA ASP A 77 10.510 -8.252 1.255 1.00 0.00 C ATOM 1163 C ASP A 77 11.530 -8.581 0.165 1.00 0.00 C ATOM 1164 O ASP A 77 12.412 -7.776 -0.135 1.00 0.00 O ATOM 1165 CB ASP A 77 10.170 -6.762 1.214 1.00 0.00 C ATOM 1166 CG ASP A 77 8.949 -6.426 2.047 1.00 0.00 C ATOM 1167 OD1 ASP A 77 7.854 -6.935 1.729 1.00 0.00 O ATOM 1168 OD2 ASP A 77 9.087 -5.653 3.019 1.00 0.00 O ATOM 0 H ASP A 77 10.309 -9.094 3.166 1.00 0.00 H new ATOM 0 HA ASP A 77 9.610 -8.836 1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.023 -6.187 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.997 -6.460 0.181 1.00 0.00 H new ATOM 1173 N GLU A 78 11.397 -9.762 -0.429 1.00 0.00 N ATOM 1174 CA GLU A 78 12.302 -10.189 -1.491 1.00 0.00 C ATOM 1175 C GLU A 78 11.780 -9.739 -2.852 1.00 0.00 C ATOM 1176 O GLU A 78 10.870 -10.350 -3.411 1.00 0.00 O ATOM 1177 CB GLU A 78 12.468 -11.710 -1.469 1.00 0.00 C ATOM 1178 CG GLU A 78 13.897 -12.170 -1.712 1.00 0.00 C ATOM 1179 CD GLU A 78 14.673 -12.365 -0.424 1.00 0.00 C ATOM 1180 OE1 GLU A 78 14.207 -13.140 0.438 1.00 0.00 O ATOM 1181 OE2 GLU A 78 15.746 -11.743 -0.277 1.00 0.00 O ATOM 0 H GLU A 78 10.672 -10.440 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 78 13.274 -9.726 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.132 -12.090 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.820 -12.149 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.884 -13.107 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.410 -11.436 -2.334 1.00 0.00 H new ATOM 1188 N ILE A 79 12.356 -8.660 -3.375 1.00 0.00 N ATOM 1189 CA ILE A 79 11.938 -8.125 -4.666 1.00 0.00 C ATOM 1190 C ILE A 79 13.135 -7.731 -5.525 1.00 0.00 C ATOM 1191 O ILE A 79 14.240 -7.535 -5.018 1.00 0.00 O ATOM 1192 CB ILE A 79 11.014 -6.905 -4.493 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.753 -5.765 -3.781 1.00 0.00 C ATOM 1194 CG2 ILE A 79 9.757 -7.300 -3.729 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.049 -6.043 -2.322 1.00 0.00 C ATOM 0 H ILE A 79 13.111 -8.141 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 79 11.390 -8.920 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 79 10.718 -6.549 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.691 -5.572 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.155 -4.856 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.112 -6.429 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.224 -8.075 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.033 -7.680 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.573 -5.191 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.114 -6.206 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.674 -6.933 -2.241 1.00 0.00 H new ATOM 1207 N GLN A 80 12.906 -7.623 -6.830 1.00 0.00 N ATOM 1208 CA GLN A 80 13.964 -7.260 -7.767 1.00 0.00 C ATOM 1209 C GLN A 80 14.099 -5.745 -7.897 1.00 0.00 C ATOM 1210 O GLN A 80 15.211 -5.215 -7.914 1.00 0.00 O ATOM 1211 CB GLN A 80 13.690 -7.877 -9.140 1.00 0.00 C ATOM 1212 CG GLN A 80 14.951 -8.167 -9.938 1.00 0.00 C ATOM 1213 CD GLN A 80 14.943 -7.508 -11.304 1.00 0.00 C ATOM 1214 OE1 GLN A 80 14.681 -8.156 -12.317 1.00 0.00 O ATOM 1215 NE2 GLN A 80 15.233 -6.212 -11.337 1.00 0.00 N ATOM 0 H GLN A 80 11.996 -7.782 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 80 14.903 -7.652 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.132 -8.804 -9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.055 -7.201 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 80 15.819 -7.821 -9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 80 15.059 -9.245 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.444 -5.714 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.245 -5.714 -12.227 1.00 0.00 H new ATOM 1224 N GLY A 81 12.969 -5.049 -7.997 1.00 0.00 N ATOM 1225 CA GLY A 81 13.006 -3.602 -8.131 1.00 0.00 C ATOM 1226 C GLY A 81 12.380 -2.883 -6.952 1.00 0.00 C ATOM 1227 O GLY A 81 11.375 -3.332 -6.402 1.00 0.00 O ATOM 0 H GLY A 81 12.034 -5.457 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.041 -3.279 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.485 -3.313 -9.044 1.00 0.00 H new ATOM 1231 N PHE A 82 12.993 -1.771 -6.552 1.00 0.00 N ATOM 1232 CA PHE A 82 12.522 -0.987 -5.425 1.00 0.00 C ATOM 1233 C PHE A 82 11.064 -0.703 -5.418 1.00 0.00 C ATOM 1234 O PHE A 82 10.427 -0.843 -4.373 1.00 0.00 O ATOM 1235 CB PHE A 82 13.302 0.305 -5.323 1.00 0.00 C ATOM 1236 CG PHE A 82 14.283 0.225 -4.225 1.00 0.00 C ATOM 1237 CD1 PHE A 82 13.850 -0.056 -2.948 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.624 0.386 -4.470 1.00 0.00 C ATOM 1239 CE1 PHE A 82 14.756 -0.172 -1.916 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.537 0.276 -3.454 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.107 -0.006 -2.168 1.00 0.00 C ATOM 0 H PHE A 82 13.827 -1.394 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 82 12.697 -1.614 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.815 0.503 -6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.620 1.137 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.795 -0.186 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.963 0.601 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.414 -0.391 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.590 0.409 -3.656 1.00 0.00 H new ATOM 0 HZ PHE A 82 16.823 -0.096 -1.365 1.00 0.00 H new ATOM 1251 N PRO A 83 10.486 -0.276 -6.514 1.00 0.00 N ATOM 1252 CA PRO A 83 9.096 0.022 -6.475 1.00 0.00 C ATOM 1253 C PRO A 83 8.272 -1.251 -6.389 1.00 0.00 C ATOM 1254 O PRO A 83 7.666 -1.697 -7.363 1.00 0.00 O ATOM 1255 CB PRO A 83 8.854 0.807 -7.754 1.00 0.00 C ATOM 1256 CG PRO A 83 9.924 0.353 -8.689 1.00 0.00 C ATOM 1257 CD PRO A 83 11.103 -0.024 -7.828 1.00 0.00 C ATOM 0 HA PRO A 83 8.798 0.596 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.863 0.606 -8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.914 1.881 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.588 -0.497 -9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.191 1.145 -9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.615 -0.907 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.841 0.777 -7.781 1.00 0.00 H new ATOM 1265 N THR A 84 8.298 -1.838 -5.200 1.00 0.00 N ATOM 1266 CA THR A 84 7.604 -3.081 -4.923 1.00 0.00 C ATOM 1267 C THR A 84 6.269 -2.825 -4.228 1.00 0.00 C ATOM 1268 O THR A 84 6.222 -2.238 -3.149 1.00 0.00 O ATOM 1269 CB THR A 84 8.517 -3.967 -4.063 1.00 0.00 C ATOM 1270 OG1 THR A 84 9.184 -4.915 -4.874 1.00 0.00 O ATOM 1271 CG2 THR A 84 7.799 -4.729 -2.966 1.00 0.00 C ATOM 0 H THR A 84 8.805 -1.461 -4.399 1.00 0.00 H new ATOM 0 HA THR A 84 7.378 -3.590 -5.860 1.00 0.00 H new ATOM 0 HB THR A 84 9.211 -3.274 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.859 -4.461 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.519 -5.328 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.314 -4.024 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.048 -5.383 -3.409 1.00 0.00 H new ATOM 1279 N ILE A 85 5.187 -3.279 -4.851 1.00 0.00 N ATOM 1280 CA ILE A 85 3.855 -3.105 -4.287 1.00 0.00 C ATOM 1281 C ILE A 85 3.360 -4.399 -3.650 1.00 0.00 C ATOM 1282 O ILE A 85 3.184 -5.410 -4.330 1.00 0.00 O ATOM 1283 CB ILE A 85 2.844 -2.649 -5.356 1.00 0.00 C ATOM 1284 CG1 ILE A 85 3.395 -1.452 -6.135 1.00 0.00 C ATOM 1285 CG2 ILE A 85 1.511 -2.302 -4.710 1.00 0.00 C ATOM 1286 CD1 ILE A 85 3.883 -1.807 -7.522 1.00 0.00 C ATOM 0 H ILE A 85 5.207 -3.769 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 85 3.932 -2.331 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 85 2.683 -3.469 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.618 -0.692 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.216 -1.009 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.807 -1.982 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.115 -3.179 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.654 -1.496 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.259 -0.911 -8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.683 -2.544 -7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.059 -2.222 -8.102 1.00 0.00 H new ATOM 1298 N LYS A 86 3.140 -4.359 -2.341 1.00 0.00 N ATOM 1299 CA LYS A 86 2.667 -5.526 -1.607 1.00 0.00 C ATOM 1300 C LYS A 86 1.181 -5.399 -1.288 1.00 0.00 C ATOM 1301 O LYS A 86 0.753 -4.440 -0.645 1.00 0.00 O ATOM 1302 CB LYS A 86 3.470 -5.702 -0.315 1.00 0.00 C ATOM 1303 CG LYS A 86 4.188 -7.038 -0.222 1.00 0.00 C ATOM 1304 CD LYS A 86 5.250 -7.174 -1.301 1.00 0.00 C ATOM 1305 CE LYS A 86 6.367 -8.110 -0.867 1.00 0.00 C ATOM 1306 NZ LYS A 86 6.863 -8.945 -1.996 1.00 0.00 N ATOM 0 H LYS A 86 3.282 -3.529 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 86 2.810 -6.405 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.203 -4.899 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.798 -5.600 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.650 -7.136 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.465 -7.848 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.794 -7.550 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.665 -6.193 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.191 -7.526 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.008 -8.758 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.313 -9.804 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.065 -9.211 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.557 -8.404 -2.549 1.00 0.00 H new ATOM 1320 N LEU A 87 0.400 -6.372 -1.745 1.00 0.00 N ATOM 1321 CA LEU A 87 -1.039 -6.370 -1.514 1.00 0.00 C ATOM 1322 C LEU A 87 -1.427 -7.400 -0.456 1.00 0.00 C ATOM 1323 O LEU A 87 -0.979 -8.547 -0.499 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.783 -6.658 -2.821 1.00 0.00 C ATOM 1325 CG LEU A 87 -2.871 -5.647 -3.185 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -3.855 -5.485 -2.037 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -2.249 -4.307 -3.551 1.00 0.00 C ATOM 0 H LEU A 87 0.740 -7.172 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.322 -5.382 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.057 -6.695 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.236 -7.647 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.416 -6.022 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.622 -4.762 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.323 -6.445 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.326 -5.132 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.036 -3.598 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.680 -3.926 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.584 -4.436 -4.405 1.00 0.00 H new ATOM 1339 N TYR A 88 -2.265 -6.981 0.488 1.00 0.00 N ATOM 1340 CA TYR A 88 -2.723 -7.865 1.554 1.00 0.00 C ATOM 1341 C TYR A 88 -4.244 -7.818 1.677 1.00 0.00 C ATOM 1342 O TYR A 88 -4.793 -6.961 2.370 1.00 0.00 O ATOM 1343 CB TYR A 88 -2.078 -7.472 2.883 1.00 0.00 C ATOM 1344 CG TYR A 88 -0.645 -7.934 3.019 1.00 0.00 C ATOM 1345 CD1 TYR A 88 -0.335 -9.287 3.088 1.00 0.00 C ATOM 1346 CD2 TYR A 88 0.398 -7.018 3.077 1.00 0.00 C ATOM 1347 CE1 TYR A 88 0.974 -9.714 3.211 1.00 0.00 C ATOM 1348 CE2 TYR A 88 1.709 -7.437 3.200 1.00 0.00 C ATOM 1349 CZ TYR A 88 1.992 -8.785 3.267 1.00 0.00 C ATOM 1350 OH TYR A 88 3.296 -9.206 3.390 1.00 0.00 O ATOM 0 H TYR A 88 -2.641 -6.034 0.536 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.426 -8.884 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.113 -6.388 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.665 -7.891 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.130 -10.017 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.181 -5.961 3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.198 -10.769 3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.508 -6.712 3.243 1.00 0.00 H new ATOM 0 HH TYR A 88 3.890 -8.427 3.414 1.00 0.00 H new ATOM 1360 N PRO A 89 -4.948 -8.741 0.998 1.00 0.00 N ATOM 1361 CA PRO A 89 -6.412 -8.803 1.026 1.00 0.00 C ATOM 1362 C PRO A 89 -6.945 -9.263 2.378 1.00 0.00 C ATOM 1363 O PRO A 89 -6.380 -10.158 3.007 1.00 0.00 O ATOM 1364 CB PRO A 89 -6.762 -9.833 -0.061 1.00 0.00 C ATOM 1365 CG PRO A 89 -5.495 -10.072 -0.815 1.00 0.00 C ATOM 1366 CD PRO A 89 -4.378 -9.790 0.145 1.00 0.00 C ATOM 0 HA PRO A 89 -6.857 -7.823 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.135 -10.757 0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.544 -9.456 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.446 -11.098 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.432 -9.421 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.103 -10.675 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.478 -9.451 -0.368 1.00 0.00 H new ATOM 1374 N ALA A 90 -8.039 -8.650 2.817 1.00 0.00 N ATOM 1375 CA ALA A 90 -8.650 -9.003 4.091 1.00 0.00 C ATOM 1376 C ALA A 90 -9.459 -10.290 3.967 1.00 0.00 C ATOM 1377 O ALA A 90 -10.448 -10.345 3.236 1.00 0.00 O ATOM 1378 CB ALA A 90 -9.529 -7.866 4.589 1.00 0.00 C ATOM 0 H ALA A 90 -8.520 -7.907 2.309 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.855 -9.172 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.979 -8.144 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.924 -6.969 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.315 -7.668 3.861 1.00 0.00 H new ATOM 1384 N GLY A 91 -9.028 -11.324 4.681 1.00 0.00 N ATOM 1385 CA GLY A 91 -9.719 -12.599 4.633 1.00 0.00 C ATOM 1386 C GLY A 91 -8.894 -13.673 3.952 1.00 0.00 C ATOM 1387 O GLY A 91 -8.954 -14.844 4.327 1.00 0.00 O ATOM 0 H GLY A 91 -8.212 -11.302 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.961 -12.918 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.664 -12.478 4.103 1.00 0.00 H new ATOM 1391 N ALA A 92 -8.118 -13.271 2.950 1.00 0.00 N ATOM 1392 CA ALA A 92 -7.272 -14.204 2.215 1.00 0.00 C ATOM 1393 C ALA A 92 -5.796 -13.824 2.328 1.00 0.00 C ATOM 1394 O ALA A 92 -4.955 -14.351 1.600 1.00 0.00 O ATOM 1395 CB ALA A 92 -7.694 -14.257 0.754 1.00 0.00 C ATOM 0 H ALA A 92 -8.058 -12.305 2.629 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.397 -15.192 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.055 -14.957 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.731 -14.587 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.599 -13.265 0.312 1.00 0.00 H new ATOM 1401 N LYS A 93 -5.488 -12.908 3.243 1.00 0.00 N ATOM 1402 CA LYS A 93 -4.113 -12.462 3.449 1.00 0.00 C ATOM 1403 C LYS A 93 -3.202 -13.643 3.781 1.00 0.00 C ATOM 1404 O LYS A 93 -3.593 -14.800 3.632 1.00 0.00 O ATOM 1405 CB LYS A 93 -4.057 -11.416 4.567 1.00 0.00 C ATOM 1406 CG LYS A 93 -4.755 -11.848 5.849 1.00 0.00 C ATOM 1407 CD LYS A 93 -3.867 -12.749 6.695 1.00 0.00 C ATOM 1408 CE LYS A 93 -4.375 -14.182 6.708 1.00 0.00 C ATOM 1409 NZ LYS A 93 -5.645 -14.315 7.474 1.00 0.00 N ATOM 0 H LYS A 93 -6.172 -12.460 3.853 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.758 -12.008 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.014 -11.192 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.512 -10.492 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.035 -10.967 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.677 -12.374 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.849 -12.727 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.827 -12.367 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.532 -14.521 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.617 -14.832 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.824 -15.319 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.568 -13.789 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.431 -13.929 6.913 1.00 0.00 H new ATOM 1423 N GLY A 94 -1.986 -13.344 4.227 1.00 0.00 N ATOM 1424 CA GLY A 94 -1.042 -14.393 4.565 1.00 0.00 C ATOM 1425 C GLY A 94 0.053 -14.542 3.527 1.00 0.00 C ATOM 1426 O GLY A 94 1.099 -15.131 3.800 1.00 0.00 O ATOM 0 H GLY A 94 -1.638 -12.395 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.593 -14.175 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.575 -15.339 4.666 1.00 0.00 H new ATOM 1430 N GLN A 95 -0.183 -14.001 2.336 1.00 0.00 N ATOM 1431 CA GLN A 95 0.795 -14.070 1.257 1.00 0.00 C ATOM 1432 C GLN A 95 1.048 -12.680 0.672 1.00 0.00 C ATOM 1433 O GLN A 95 0.106 -11.954 0.353 1.00 0.00 O ATOM 1434 CB GLN A 95 0.319 -15.029 0.161 1.00 0.00 C ATOM 1435 CG GLN A 95 -0.889 -14.529 -0.617 1.00 0.00 C ATOM 1436 CD GLN A 95 -2.159 -14.524 0.211 1.00 0.00 C ATOM 1437 OE1 GLN A 95 -2.681 -15.578 0.573 1.00 0.00 O ATOM 1438 NE2 GLN A 95 -2.662 -13.334 0.516 1.00 0.00 N ATOM 0 H GLN A 95 -1.044 -13.510 2.094 1.00 0.00 H new ATOM 0 HA GLN A 95 1.731 -14.449 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.139 -15.205 -0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.074 -15.990 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.691 -13.519 -0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.036 -15.158 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.196 -12.486 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.515 -13.268 1.072 1.00 0.00 H new ATOM 1447 N PRO A 96 2.325 -12.285 0.528 1.00 0.00 N ATOM 1448 CA PRO A 96 2.684 -10.974 -0.017 1.00 0.00 C ATOM 1449 C PRO A 96 2.540 -10.915 -1.533 1.00 0.00 C ATOM 1450 O PRO A 96 3.281 -11.574 -2.262 1.00 0.00 O ATOM 1451 CB PRO A 96 4.149 -10.822 0.387 1.00 0.00 C ATOM 1452 CG PRO A 96 4.669 -12.217 0.437 1.00 0.00 C ATOM 1453 CD PRO A 96 3.518 -13.078 0.887 1.00 0.00 C ATOM 0 HA PRO A 96 2.036 -10.182 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.699 -10.219 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.245 -10.328 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.032 -12.532 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.508 -12.295 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.522 -14.045 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.560 -13.275 1.958 1.00 0.00 H new ATOM 1461 N VAL A 97 1.582 -10.122 -2.004 1.00 0.00 N ATOM 1462 CA VAL A 97 1.349 -9.981 -3.436 1.00 0.00 C ATOM 1463 C VAL A 97 2.352 -9.017 -4.059 1.00 0.00 C ATOM 1464 O VAL A 97 2.257 -7.803 -3.877 1.00 0.00 O ATOM 1465 CB VAL A 97 -0.077 -9.481 -3.728 1.00 0.00 C ATOM 1466 CG1 VAL A 97 -0.368 -9.538 -5.220 1.00 0.00 C ATOM 1467 CG2 VAL A 97 -1.099 -10.294 -2.947 1.00 0.00 C ATOM 0 H VAL A 97 0.957 -9.570 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 97 1.474 -10.970 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.151 -8.442 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.381 -9.181 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.344 -8.908 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.276 -10.566 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.101 -9.926 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.027 -11.343 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.902 -10.197 -1.879 1.00 0.00 H new ATOM 1477 N THR A 98 3.315 -9.565 -4.793 1.00 0.00 N ATOM 1478 CA THR A 98 4.338 -8.753 -5.442 1.00 0.00 C ATOM 1479 C THR A 98 3.906 -8.353 -6.848 1.00 0.00 C ATOM 1480 O THR A 98 3.673 -9.206 -7.704 1.00 0.00 O ATOM 1481 CB THR A 98 5.666 -9.513 -5.498 1.00 0.00 C ATOM 1482 OG1 THR A 98 5.649 -10.621 -4.615 1.00 0.00 O ATOM 1483 CG2 THR A 98 6.861 -8.657 -5.136 1.00 0.00 C ATOM 0 H THR A 98 3.408 -10.568 -4.953 1.00 0.00 H new ATOM 0 HA THR A 98 4.473 -7.846 -4.853 1.00 0.00 H new ATOM 0 HB THR A 98 5.770 -9.836 -6.534 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.506 -11.094 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.769 -9.256 -5.196 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.933 -7.820 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.743 -8.278 -4.121 1.00 0.00 H new ATOM 1491 N TYR A 99 3.800 -7.048 -7.079 1.00 0.00 N ATOM 1492 CA TYR A 99 3.395 -6.531 -8.381 1.00 0.00 C ATOM 1493 C TYR A 99 4.447 -6.836 -9.442 1.00 0.00 C ATOM 1494 O TYR A 99 5.445 -7.504 -9.169 1.00 0.00 O ATOM 1495 CB TYR A 99 3.166 -5.021 -8.302 1.00 0.00 C ATOM 1496 CG TYR A 99 1.739 -4.637 -7.987 1.00 0.00 C ATOM 1497 CD1 TYR A 99 1.048 -5.249 -6.950 1.00 0.00 C ATOM 1498 CD2 TYR A 99 1.085 -3.659 -8.726 1.00 0.00 C ATOM 1499 CE1 TYR A 99 -0.256 -4.898 -6.657 1.00 0.00 C ATOM 1500 CE2 TYR A 99 -0.218 -3.301 -8.438 1.00 0.00 C ATOM 1501 CZ TYR A 99 -0.885 -3.923 -7.403 1.00 0.00 C ATOM 1502 OH TYR A 99 -2.183 -3.567 -7.114 1.00 0.00 O ATOM 0 H TYR A 99 3.989 -6.329 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 99 2.465 -7.023 -8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.822 -4.603 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.453 -4.569 -9.251 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.538 -6.012 -6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.603 -3.171 -9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.780 -5.385 -5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.712 -2.538 -9.021 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.208 -3.087 -6.260 1.00 0.00 H new ATOM 1512 N SER A 100 4.218 -6.335 -10.651 1.00 0.00 N ATOM 1513 CA SER A 100 5.145 -6.545 -11.756 1.00 0.00 C ATOM 1514 C SER A 100 5.953 -5.280 -12.031 1.00 0.00 C ATOM 1515 O SER A 100 7.067 -5.345 -12.550 1.00 0.00 O ATOM 1516 CB SER A 100 4.384 -6.963 -13.015 1.00 0.00 C ATOM 1517 OG SER A 100 5.111 -7.929 -13.754 1.00 0.00 O ATOM 0 H SER A 100 3.397 -5.780 -10.890 1.00 0.00 H new ATOM 0 HA SER A 100 5.833 -7.342 -11.476 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.411 -7.369 -12.738 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.198 -6.088 -13.638 1.00 0.00 H new ATOM 0 HG SER A 100 4.602 -8.181 -14.553 1.00 0.00 H new ATOM 1523 N GLY A 101 5.383 -4.131 -11.680 1.00 0.00 N ATOM 1524 CA GLY A 101 6.063 -2.868 -11.896 1.00 0.00 C ATOM 1525 C GLY A 101 5.205 -1.676 -11.520 1.00 0.00 C ATOM 1526 O GLY A 101 4.070 -1.551 -11.981 1.00 0.00 O ATOM 0 H GLY A 101 4.462 -4.053 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.982 -2.849 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.351 -2.788 -12.944 1.00 0.00 H new ATOM 1530 N SER A 102 5.746 -0.799 -10.681 1.00 0.00 N ATOM 1531 CA SER A 102 5.019 0.387 -10.243 1.00 0.00 C ATOM 1532 C SER A 102 5.193 1.530 -11.238 1.00 0.00 C ATOM 1533 O SER A 102 6.254 1.683 -11.843 1.00 0.00 O ATOM 1534 CB SER A 102 5.501 0.823 -8.859 1.00 0.00 C ATOM 1535 OG SER A 102 4.458 1.445 -8.128 1.00 0.00 O ATOM 0 H SER A 102 6.684 -0.887 -10.291 1.00 0.00 H new ATOM 0 HA SER A 102 3.960 0.134 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.868 -0.043 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.338 1.513 -8.963 1.00 0.00 H new ATOM 0 HG SER A 102 4.767 1.641 -7.219 1.00 0.00 H new ATOM 1541 N ARG A 103 4.144 2.330 -11.403 1.00 0.00 N ATOM 1542 CA ARG A 103 4.182 3.459 -12.325 1.00 0.00 C ATOM 1543 C ARG A 103 3.127 4.499 -11.958 1.00 0.00 C ATOM 1544 O ARG A 103 3.445 5.666 -11.729 1.00 0.00 O ATOM 1545 CB ARG A 103 3.966 2.978 -13.762 1.00 0.00 C ATOM 1546 CG ARG A 103 4.951 3.571 -14.756 1.00 0.00 C ATOM 1547 CD ARG A 103 4.804 5.081 -14.854 1.00 0.00 C ATOM 1548 NE ARG A 103 5.811 5.674 -15.730 1.00 0.00 N ATOM 1549 CZ ARG A 103 7.075 5.884 -15.372 1.00 0.00 C ATOM 1550 NH1 ARG A 103 7.492 5.550 -14.156 1.00 0.00 N ATOM 1551 NH2 ARG A 103 7.926 6.429 -16.231 1.00 0.00 N ATOM 0 H ARG A 103 3.258 2.217 -10.910 1.00 0.00 H new ATOM 0 HA ARG A 103 5.164 3.925 -12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.046 1.891 -13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.952 3.231 -14.073 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.968 3.322 -14.454 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.792 3.125 -15.738 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.810 5.325 -15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.886 5.518 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 103 5.528 5.943 -16.672 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.842 5.130 -13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.462 5.713 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.611 6.687 -17.166 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.895 6.590 -15.956 1.00 0.00 H new ATOM 1565 N THR A 104 1.871 4.068 -11.905 1.00 0.00 N ATOM 1566 CA THR A 104 0.770 4.963 -11.567 1.00 0.00 C ATOM 1567 C THR A 104 -0.170 4.316 -10.555 1.00 0.00 C ATOM 1568 O THR A 104 -0.240 3.091 -10.452 1.00 0.00 O ATOM 1569 CB THR A 104 -0.006 5.349 -12.828 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.878 5.577 -13.910 1.00 0.00 O ATOM 1571 CG2 THR A 104 -0.850 6.593 -12.654 1.00 0.00 C ATOM 0 H THR A 104 1.590 3.105 -12.092 1.00 0.00 H new ATOM 0 HA THR A 104 1.192 5.862 -11.118 1.00 0.00 H new ATOM 0 HB THR A 104 -0.668 4.506 -13.030 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.363 5.821 -14.707 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.374 6.811 -13.585 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.577 6.431 -11.858 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.208 7.435 -12.393 1.00 0.00 H new ATOM 1579 N VAL A 105 -0.892 5.147 -9.809 1.00 0.00 N ATOM 1580 CA VAL A 105 -1.828 4.657 -8.804 1.00 0.00 C ATOM 1581 C VAL A 105 -3.082 4.076 -9.450 1.00 0.00 C ATOM 1582 O VAL A 105 -3.738 3.206 -8.878 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.240 5.774 -7.827 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.107 6.085 -6.861 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -2.661 7.022 -8.588 1.00 0.00 C ATOM 0 H VAL A 105 -0.846 6.163 -9.882 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.311 3.872 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.095 5.426 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.417 6.877 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.860 5.190 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.231 6.412 -7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.949 7.800 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.829 7.375 -9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.508 6.787 -9.233 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.412 4.563 -10.642 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.591 4.090 -11.360 1.00 0.00 C ATOM 1597 C GLU A 106 -4.518 2.585 -11.602 1.00 0.00 C ATOM 1598 O GLU A 106 -5.533 1.889 -11.559 1.00 0.00 O ATOM 1599 CB GLU A 106 -4.730 4.826 -12.695 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.592 4.550 -13.664 1.00 0.00 C ATOM 1601 CD GLU A 106 -3.554 5.537 -14.814 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -3.678 6.753 -14.558 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -3.401 5.094 -15.972 1.00 0.00 O ATOM 0 H GLU A 106 -2.881 5.284 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.466 4.297 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.672 4.538 -13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.783 5.898 -12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.645 4.587 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.694 3.540 -14.060 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.311 2.089 -11.855 1.00 0.00 N ATOM 1611 CA ASP A 107 -3.107 0.667 -12.102 1.00 0.00 C ATOM 1612 C ASP A 107 -3.154 -0.125 -10.799 1.00 0.00 C ATOM 1613 O ASP A 107 -3.565 -1.285 -10.781 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.767 0.437 -12.804 1.00 0.00 C ATOM 1615 CG ASP A 107 -1.749 -0.847 -13.610 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -2.177 -0.817 -14.784 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -1.308 -1.882 -13.069 1.00 0.00 O ATOM 0 H ASP A 107 -2.460 2.651 -11.894 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.913 0.317 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.556 1.279 -13.463 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.971 0.407 -12.060 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.731 0.510 -9.711 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.725 -0.136 -8.404 1.00 0.00 C ATOM 1624 C LEU A 108 -4.147 -0.392 -7.916 1.00 0.00 C ATOM 1625 O LEU A 108 -4.488 -1.508 -7.526 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.972 0.726 -7.389 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.203 -0.053 -6.321 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.053 0.781 -5.777 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -2.136 -0.475 -5.196 1.00 0.00 C ATOM 0 H LEU A 108 -2.388 1.471 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.217 -1.095 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.271 1.364 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.686 1.384 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.789 -0.951 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.483 0.211 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.628 1.035 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.445 1.696 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.573 -1.028 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.579 0.410 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.926 -1.110 -5.597 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.970 0.649 -7.939 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.356 0.542 -7.500 1.00 0.00 C ATOM 1643 C ILE A 109 -7.115 -0.500 -8.317 1.00 0.00 C ATOM 1644 O ILE A 109 -7.841 -1.328 -7.765 1.00 0.00 O ATOM 1645 CB ILE A 109 -7.083 1.897 -7.610 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.530 1.773 -7.122 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -7.036 2.403 -9.045 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.367 3.009 -7.373 1.00 0.00 C ATOM 0 H ILE A 109 -4.701 1.580 -8.258 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.335 0.232 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.574 2.620 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.999 0.922 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.526 1.559 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.553 3.361 -9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.998 2.529 -9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.524 1.682 -9.701 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.378 2.845 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.923 3.860 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.403 3.213 -8.443 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.948 -0.451 -9.634 1.00 0.00 N ATOM 1661 CA LYS A 110 -7.624 -1.386 -10.526 1.00 0.00 C ATOM 1662 C LYS A 110 -7.272 -2.830 -10.178 1.00 0.00 C ATOM 1663 O LYS A 110 -8.099 -3.731 -10.319 1.00 0.00 O ATOM 1664 CB LYS A 110 -7.249 -1.096 -11.981 1.00 0.00 C ATOM 1665 CG LYS A 110 -8.031 -1.924 -12.987 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.795 -1.441 -14.409 1.00 0.00 C ATOM 1667 CE LYS A 110 -8.776 -0.347 -14.796 1.00 0.00 C ATOM 1668 NZ LYS A 110 -9.216 -0.471 -16.213 1.00 0.00 N ATOM 0 H LYS A 110 -6.350 0.226 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.698 -1.254 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.415 -0.038 -12.186 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.184 -1.284 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.739 -2.971 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.095 -1.871 -12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.776 -1.067 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.892 -2.279 -15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.646 -0.391 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.312 0.627 -14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.884 0.294 -16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.389 -0.403 -16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.682 -1.390 -16.353 1.00 0.00 H new ATOM 1682 N PHE A 111 -6.041 -3.043 -9.726 1.00 0.00 N ATOM 1683 CA PHE A 111 -5.581 -4.378 -9.361 1.00 0.00 C ATOM 1684 C PHE A 111 -6.177 -4.819 -8.027 1.00 0.00 C ATOM 1685 O PHE A 111 -6.604 -5.964 -7.875 1.00 0.00 O ATOM 1686 CB PHE A 111 -4.053 -4.409 -9.289 1.00 0.00 C ATOM 1687 CG PHE A 111 -3.429 -5.423 -10.206 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -3.356 -5.190 -11.570 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -2.916 -6.607 -9.703 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -2.782 -6.120 -12.416 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -2.342 -7.542 -10.544 1.00 0.00 C ATOM 1692 CZ PHE A 111 -2.275 -7.298 -11.902 1.00 0.00 C ATOM 0 H PHE A 111 -5.344 -2.309 -9.604 1.00 0.00 H new ATOM 0 HA PHE A 111 -5.917 -5.073 -10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -3.666 -3.421 -9.536 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.750 -4.623 -8.264 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.752 -4.271 -11.977 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.965 -6.802 -8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.730 -5.926 -13.477 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.946 -8.462 -10.140 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.827 -8.027 -12.561 1.00 0.00 H new ATOM 1702 N ILE A 112 -6.199 -3.906 -7.061 1.00 0.00 N ATOM 1703 CA ILE A 112 -6.740 -4.203 -5.739 1.00 0.00 C ATOM 1704 C ILE A 112 -8.181 -4.696 -5.830 1.00 0.00 C ATOM 1705 O ILE A 112 -8.634 -5.473 -4.990 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.683 -2.968 -4.817 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -5.254 -2.429 -4.739 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -7.197 -3.315 -3.426 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -5.182 -0.924 -4.599 1.00 0.00 C ATOM 0 H ILE A 112 -5.848 -2.954 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.119 -4.991 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.325 -2.193 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.747 -2.889 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.712 -2.729 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.149 -2.431 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.230 -3.657 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.581 -4.105 -2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.139 -0.613 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.660 -0.455 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.695 -0.618 -3.687 1.00 0.00 H new ATOM 1721 N ALA A 113 -8.896 -4.244 -6.855 1.00 0.00 N ATOM 1722 CA ALA A 113 -10.284 -4.645 -7.050 1.00 0.00 C ATOM 1723 C ALA A 113 -10.367 -5.995 -7.753 1.00 0.00 C ATOM 1724 O ALA A 113 -11.236 -6.812 -7.449 1.00 0.00 O ATOM 1725 CB ALA A 113 -11.037 -3.586 -7.840 1.00 0.00 C ATOM 0 H ALA A 113 -8.538 -3.601 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.750 -4.744 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.071 -3.901 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -11.014 -2.642 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -10.566 -3.455 -8.814 1.00 0.00 H new ATOM 1731 N GLU A 114 -9.455 -6.224 -8.692 1.00 0.00 N ATOM 1732 CA GLU A 114 -9.422 -7.477 -9.437 1.00 0.00 C ATOM 1733 C GLU A 114 -8.928 -8.619 -8.555 1.00 0.00 C ATOM 1734 O GLU A 114 -9.306 -9.774 -8.748 1.00 0.00 O ATOM 1735 CB GLU A 114 -8.523 -7.340 -10.667 1.00 0.00 C ATOM 1736 CG GLU A 114 -9.067 -6.383 -11.715 1.00 0.00 C ATOM 1737 CD GLU A 114 -10.350 -6.882 -12.351 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -10.315 -7.951 -12.997 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -11.389 -6.205 -12.203 1.00 0.00 O ATOM 0 H GLU A 114 -8.729 -5.558 -8.955 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.437 -7.705 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.538 -6.997 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.388 -8.322 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.248 -5.411 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.316 -6.234 -12.490 1.00 0.00 H new ATOM 1746 N ASN A 115 -8.081 -8.287 -7.585 1.00 0.00 N ATOM 1747 CA ASN A 115 -7.535 -9.283 -6.670 1.00 0.00 C ATOM 1748 C ASN A 115 -7.968 -9.002 -5.234 1.00 0.00 C ATOM 1749 O ASN A 115 -7.313 -9.430 -4.284 1.00 0.00 O ATOM 1750 CB ASN A 115 -6.008 -9.304 -6.759 1.00 0.00 C ATOM 1751 CG ASN A 115 -5.511 -9.328 -8.191 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -4.995 -10.340 -8.665 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -5.664 -8.208 -8.888 1.00 0.00 N ATOM 0 H ASN A 115 -7.758 -7.335 -7.413 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.924 -10.258 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -5.606 -8.427 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -5.628 -10.179 -6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -5.348 -8.163 -9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -6.097 -7.393 -8.455 1.00 0.00 H new ATOM 1760 N GLY A 116 -9.074 -8.279 -5.082 1.00 0.00 N ATOM 1761 CA GLY A 116 -9.572 -7.955 -3.758 1.00 0.00 C ATOM 1762 C GLY A 116 -10.817 -8.740 -3.397 1.00 0.00 C ATOM 1763 O GLY A 116 -11.661 -9.006 -4.253 1.00 0.00 O ATOM 0 H GLY A 116 -9.633 -7.912 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.794 -8.156 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.792 -6.889 -3.707 1.00 0.00 H new ATOM 1767 N LYS A 117 -10.933 -9.112 -2.126 1.00 0.00 N ATOM 1768 CA LYS A 117 -12.084 -9.872 -1.654 1.00 0.00 C ATOM 1769 C LYS A 117 -13.279 -8.957 -1.403 1.00 0.00 C ATOM 1770 O LYS A 117 -14.430 -9.373 -1.534 1.00 0.00 O ATOM 1771 CB LYS A 117 -11.729 -10.630 -0.372 1.00 0.00 C ATOM 1772 CG LYS A 117 -12.346 -12.017 -0.295 1.00 0.00 C ATOM 1773 CD LYS A 117 -11.402 -13.011 0.362 1.00 0.00 C ATOM 1774 CE LYS A 117 -12.015 -14.400 0.429 1.00 0.00 C ATOM 1775 NZ LYS A 117 -11.820 -15.156 -0.839 1.00 0.00 N ATOM 0 H LYS A 117 -10.244 -8.899 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.356 -10.588 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.645 -10.719 -0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.058 -10.047 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -13.278 -11.971 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.597 -12.361 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.467 -13.051 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.157 -12.671 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.568 -14.954 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.081 -14.316 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.253 -16.098 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.268 -14.640 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.803 -15.259 -1.029 1.00 0.00 H new ATOM 1789 N TYR A 118 -12.998 -7.709 -1.041 1.00 0.00 N ATOM 1790 CA TYR A 118 -14.052 -6.736 -0.772 1.00 0.00 C ATOM 1791 C TYR A 118 -14.384 -5.915 -2.017 1.00 0.00 C ATOM 1792 O TYR A 118 -15.004 -4.856 -1.923 1.00 0.00 O ATOM 1793 CB TYR A 118 -13.633 -5.805 0.368 1.00 0.00 C ATOM 1794 CG TYR A 118 -13.759 -6.430 1.739 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -14.899 -7.137 2.099 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -12.737 -6.313 2.673 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -15.017 -7.710 3.351 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -12.848 -6.883 3.927 1.00 0.00 C ATOM 1799 CZ TYR A 118 -13.990 -7.580 4.261 1.00 0.00 C ATOM 1800 OH TYR A 118 -14.104 -8.150 5.509 1.00 0.00 O ATOM 0 H TYR A 118 -12.051 -7.348 -0.927 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.946 -7.286 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.599 -5.497 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -14.244 -4.903 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -15.706 -7.241 1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.841 -5.768 2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -15.910 -8.257 3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -12.045 -6.783 4.642 1.00 0.00 H new ATOM 0 HH TYR A 118 -13.293 -7.966 6.028 1.00 0.00 H new