USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 459 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 13 TYR OH : rot -16:sc= 1.08 USER MOD Set 1.2: A 46 LYS NZ :NH3+ 176:sc= 1.99 (180deg=1.02) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= 1.1 (180deg=0.982) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.09) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.07) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.888) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.000617 X(o=-0.00062,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 1.16 (180deg=1.03) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.17) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.673 K(o=0.67,f=-4!) USER MOD Single : A 60 GLN : amide:sc= 1.27 K(o=1.3,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 11.297 -45.631 -8.353 1.00 0.00 N ATOM 101 CA ILE A 6 11.171 -45.129 -9.744 1.00 0.00 C ATOM 102 C ILE A 6 11.220 -46.307 -10.733 1.00 0.00 C ATOM 103 O ILE A 6 10.338 -46.409 -11.585 1.00 0.00 O ATOM 104 CB ILE A 6 12.189 -44.016 -10.206 1.00 0.00 C ATOM 105 CG1 ILE A 6 12.108 -42.734 -9.354 1.00 0.00 C ATOM 106 CG2 ILE A 6 12.002 -43.570 -11.702 1.00 0.00 C ATOM 107 CD1 ILE A 6 13.149 -42.675 -8.230 1.00 0.00 C ATOM 0 HA ILE A 6 10.205 -44.624 -9.746 1.00 0.00 H new ATOM 0 HB ILE A 6 13.157 -44.502 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.238 -41.868 -10.003 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.111 -42.660 -8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.737 -42.803 -11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.141 -44.429 -12.358 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.998 -43.168 -11.839 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.031 -41.745 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.007 -43.521 -7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.150 -42.717 -8.659 1.00 0.00 H new ATOM 119 N GLU A 7 12.206 -47.211 -10.593 1.00 0.00 N ATOM 120 CA GLU A 7 12.308 -48.426 -11.407 1.00 0.00 C ATOM 121 C GLU A 7 11.046 -49.315 -11.323 1.00 0.00 C ATOM 122 O GLU A 7 10.556 -49.748 -12.356 1.00 0.00 O ATOM 123 CB GLU A 7 13.576 -49.186 -10.948 1.00 0.00 C ATOM 124 CG GLU A 7 13.913 -50.480 -11.748 1.00 0.00 C ATOM 125 CD GLU A 7 15.134 -51.198 -11.168 1.00 0.00 C ATOM 126 OE1 GLU A 7 15.004 -51.827 -10.119 1.00 0.00 O ATOM 127 OE2 GLU A 7 16.196 -51.121 -11.778 1.00 0.00 O ATOM 0 H GLU A 7 12.956 -47.115 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 7 12.385 -48.151 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.427 -48.508 -11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.459 -49.450 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.054 -51.151 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.101 -50.225 -12.791 1.00 0.00 H new ATOM 134 N GLU A 8 10.485 -49.587 -10.140 1.00 0.00 N ATOM 135 CA GLU A 8 9.261 -50.378 -9.970 1.00 0.00 C ATOM 136 C GLU A 8 7.982 -49.690 -10.500 1.00 0.00 C ATOM 137 O GLU A 8 7.179 -50.353 -11.159 1.00 0.00 O ATOM 138 CB GLU A 8 9.156 -50.671 -8.459 1.00 0.00 C ATOM 139 CG GLU A 8 8.236 -51.848 -8.047 1.00 0.00 C ATOM 140 CD GLU A 8 8.255 -52.024 -6.528 1.00 0.00 C ATOM 141 OE1 GLU A 8 9.286 -52.426 -5.977 1.00 0.00 O ATOM 142 OE2 GLU A 8 7.244 -51.710 -5.897 1.00 0.00 O ATOM 0 H GLU A 8 10.876 -49.258 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 8 9.331 -51.288 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.158 -50.872 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.801 -49.769 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.217 -51.659 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.568 -52.766 -8.531 1.00 0.00 H new ATOM 149 N GLU A 9 7.759 -48.390 -10.244 1.00 0.00 N ATOM 150 CA GLU A 9 6.601 -47.665 -10.787 1.00 0.00 C ATOM 151 C GLU A 9 6.775 -47.247 -12.258 1.00 0.00 C ATOM 152 O GLU A 9 5.763 -46.999 -12.916 1.00 0.00 O ATOM 153 CB GLU A 9 6.263 -46.430 -9.911 1.00 0.00 C ATOM 154 CG GLU A 9 6.015 -46.688 -8.383 1.00 0.00 C ATOM 155 CD GLU A 9 4.930 -47.713 -8.028 1.00 0.00 C ATOM 156 OE1 GLU A 9 3.861 -47.733 -8.647 1.00 0.00 O ATOM 157 OE2 GLU A 9 5.159 -48.485 -7.092 1.00 0.00 O ATOM 0 H GLU A 9 8.370 -47.818 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 9 5.767 -48.367 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.079 -45.714 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.373 -45.955 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.953 -47.016 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.754 -45.739 -7.915 1.00 0.00 H new ATOM 164 N ALA A 10 7.984 -47.031 -12.788 1.00 0.00 N ATOM 165 CA ALA A 10 8.238 -46.995 -14.237 1.00 0.00 C ATOM 166 C ALA A 10 8.936 -48.170 -14.974 1.00 0.00 C ATOM 167 O ALA A 10 9.468 -47.936 -16.069 1.00 0.00 O ATOM 168 CB ALA A 10 8.943 -45.628 -14.480 1.00 0.00 C ATOM 0 H ALA A 10 8.819 -46.875 -12.223 1.00 0.00 H new ATOM 0 HA ALA A 10 7.264 -47.124 -14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.169 -45.519 -15.541 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.285 -44.818 -14.164 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.869 -45.589 -13.906 1.00 0.00 H new ATOM 174 N ALA A 11 8.911 -49.433 -14.522 1.00 0.00 N ATOM 175 CA ALA A 11 9.494 -50.616 -15.194 1.00 0.00 C ATOM 176 C ALA A 11 9.097 -50.980 -16.655 1.00 0.00 C ATOM 177 O ALA A 11 9.388 -52.095 -17.096 1.00 0.00 O ATOM 178 CB ALA A 11 9.188 -51.811 -14.252 1.00 0.00 C ATOM 0 H ALA A 11 8.464 -49.674 -13.637 1.00 0.00 H new ATOM 0 HA ALA A 11 10.543 -50.362 -15.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.591 -52.727 -14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.649 -51.635 -13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.110 -51.911 -14.130 1.00 0.00 H new ATOM 184 N LYS A 12 8.511 -50.054 -17.435 1.00 0.00 N ATOM 185 CA LYS A 12 7.958 -50.259 -18.788 1.00 0.00 C ATOM 186 C LYS A 12 6.986 -51.463 -18.828 1.00 0.00 C ATOM 187 O LYS A 12 7.114 -52.422 -19.603 1.00 0.00 O ATOM 188 CB LYS A 12 9.124 -50.383 -19.818 1.00 0.00 C ATOM 189 CG LYS A 12 8.690 -50.160 -21.293 1.00 0.00 C ATOM 190 CD LYS A 12 9.475 -51.049 -22.291 1.00 0.00 C ATOM 191 CE LYS A 12 8.782 -52.379 -22.657 1.00 0.00 C ATOM 192 NZ LYS A 12 8.644 -53.247 -21.490 1.00 0.00 N ATOM 0 H LYS A 12 8.404 -49.089 -17.122 1.00 0.00 H new ATOM 0 HA LYS A 12 7.361 -49.391 -19.067 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.898 -49.659 -19.564 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.572 -51.373 -19.727 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.624 -50.368 -21.389 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.835 -49.112 -21.555 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.646 -50.481 -23.205 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.454 -51.271 -21.866 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.798 -52.174 -23.078 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.358 -52.891 -23.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.500 -54.228 -21.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.507 -53.191 -20.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.827 -52.940 -20.924 1.00 0.00 H new ATOM 206 N TYR A 13 5.977 -51.375 -17.958 1.00 0.00 N ATOM 207 CA TYR A 13 5.223 -52.528 -17.523 1.00 0.00 C ATOM 208 C TYR A 13 3.720 -52.375 -17.858 1.00 0.00 C ATOM 209 O TYR A 13 3.361 -51.863 -18.921 1.00 0.00 O ATOM 210 CB TYR A 13 5.622 -52.722 -16.011 1.00 0.00 C ATOM 211 CG TYR A 13 5.084 -51.668 -15.012 1.00 0.00 C ATOM 212 CD1 TYR A 13 5.424 -50.309 -15.001 1.00 0.00 C ATOM 213 CD2 TYR A 13 4.184 -52.090 -14.040 1.00 0.00 C ATOM 214 CE1 TYR A 13 4.849 -49.466 -14.083 1.00 0.00 C ATOM 215 CE2 TYR A 13 3.629 -51.234 -13.112 1.00 0.00 C ATOM 216 CZ TYR A 13 3.965 -49.911 -13.139 1.00 0.00 C ATOM 217 OH TYR A 13 3.450 -49.034 -12.234 1.00 0.00 O ATOM 0 H TYR A 13 5.668 -50.497 -17.541 1.00 0.00 H new ATOM 0 HA TYR A 13 5.457 -53.452 -18.051 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.275 -53.704 -15.690 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.710 -52.731 -15.944 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.138 -49.925 -15.714 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.907 -53.134 -14.010 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.103 -48.417 -14.107 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.936 -51.606 -12.372 1.00 0.00 H new ATOM 0 HH TYR A 13 3.990 -48.216 -12.228 1.00 0.00 H new ATOM 227 N LYS A 14 2.822 -52.813 -16.977 1.00 0.00 N ATOM 228 CA LYS A 14 1.376 -52.802 -17.200 1.00 0.00 C ATOM 229 C LYS A 14 0.744 -51.403 -17.046 1.00 0.00 C ATOM 230 O LYS A 14 -0.189 -51.053 -17.781 1.00 0.00 O ATOM 231 CB LYS A 14 0.724 -53.848 -16.247 1.00 0.00 C ATOM 232 CG LYS A 14 -0.818 -53.996 -16.367 1.00 0.00 C ATOM 233 CD LYS A 14 -1.321 -54.583 -17.714 1.00 0.00 C ATOM 234 CE LYS A 14 -2.476 -53.773 -18.321 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.934 -52.593 -18.992 1.00 0.00 N ATOM 0 H LYS A 14 3.085 -53.194 -16.068 1.00 0.00 H new ATOM 0 HA LYS A 14 1.184 -53.076 -18.237 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.180 -54.820 -16.437 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.966 -53.577 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.170 -54.634 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.274 -53.016 -16.223 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.494 -54.615 -18.423 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.647 -55.611 -17.558 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.033 -54.386 -19.030 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.176 -53.473 -17.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.671 -51.863 -19.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.129 -52.223 -18.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.616 -52.853 -19.947 1.00 0.00 H new ATOM 249 N TYR A 15 1.242 -50.596 -16.101 1.00 0.00 N ATOM 250 CA TYR A 15 0.665 -49.292 -15.784 1.00 0.00 C ATOM 251 C TYR A 15 1.526 -48.113 -16.293 1.00 0.00 C ATOM 252 O TYR A 15 2.177 -47.355 -15.562 1.00 0.00 O ATOM 253 CB TYR A 15 0.366 -49.244 -14.266 1.00 0.00 C ATOM 254 CG TYR A 15 -0.714 -50.265 -13.875 1.00 0.00 C ATOM 255 CD1 TYR A 15 -2.017 -50.149 -14.333 1.00 0.00 C ATOM 256 CD2 TYR A 15 -0.424 -51.342 -13.055 1.00 0.00 C ATOM 257 CE1 TYR A 15 -2.991 -51.066 -13.987 1.00 0.00 C ATOM 258 CE2 TYR A 15 -1.390 -52.263 -12.705 1.00 0.00 C ATOM 259 CZ TYR A 15 -2.671 -52.125 -13.172 1.00 0.00 C ATOM 260 OH TYR A 15 -3.609 -53.041 -12.821 1.00 0.00 O ATOM 0 H TYR A 15 2.058 -50.833 -15.536 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.275 -49.169 -16.322 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.280 -49.446 -13.707 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.039 -48.242 -13.990 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.277 -49.321 -14.976 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.582 -51.464 -12.681 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.000 -50.951 -14.356 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.136 -53.093 -12.063 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.203 -53.719 -12.242 1.00 0.00 H new ATOM 270 N ALA A 16 1.453 -48.001 -17.627 1.00 0.00 N ATOM 271 CA ALA A 16 2.142 -46.986 -18.425 1.00 0.00 C ATOM 272 C ALA A 16 1.722 -45.530 -18.125 1.00 0.00 C ATOM 273 O ALA A 16 2.564 -44.629 -18.117 1.00 0.00 O ATOM 274 CB ALA A 16 1.912 -47.330 -19.911 1.00 0.00 C ATOM 0 H ALA A 16 0.894 -48.637 -18.195 1.00 0.00 H new ATOM 0 HA ALA A 16 3.199 -47.017 -18.160 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.413 -46.592 -20.537 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.317 -48.320 -20.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.843 -47.322 -20.125 1.00 0.00 H new ATOM 280 N MET A 17 0.429 -45.293 -17.864 1.00 0.00 N ATOM 281 CA MET A 17 -0.097 -43.985 -17.463 1.00 0.00 C ATOM 282 C MET A 17 0.391 -43.537 -16.067 1.00 0.00 C ATOM 283 O MET A 17 0.565 -42.345 -15.811 1.00 0.00 O ATOM 284 CB MET A 17 -1.653 -43.980 -17.516 1.00 0.00 C ATOM 285 CG MET A 17 -2.274 -44.135 -18.930 1.00 0.00 C ATOM 286 SD MET A 17 -2.296 -45.825 -19.589 1.00 0.00 S ATOM 287 CE MET A 17 -3.948 -46.366 -19.081 1.00 0.00 C ATOM 0 H MET A 17 -0.289 -46.015 -17.927 1.00 0.00 H new ATOM 0 HA MET A 17 0.294 -43.263 -18.180 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.023 -44.788 -16.885 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.011 -43.047 -17.081 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.297 -43.761 -18.902 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.721 -43.500 -19.623 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.114 -47.391 -19.414 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.028 -46.320 -17.995 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.698 -45.713 -19.528 1.00 0.00 H new ATOM 297 N LEU A 18 0.622 -44.491 -15.158 1.00 0.00 N ATOM 298 CA LEU A 18 1.151 -44.243 -13.822 1.00 0.00 C ATOM 299 C LEU A 18 2.675 -44.019 -13.819 1.00 0.00 C ATOM 300 O LEU A 18 3.186 -43.177 -13.078 1.00 0.00 O ATOM 301 CB LEU A 18 0.731 -45.438 -12.935 1.00 0.00 C ATOM 302 CG LEU A 18 -0.790 -45.615 -12.628 1.00 0.00 C ATOM 303 CD1 LEU A 18 -1.332 -44.410 -11.861 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.773 -45.906 -13.782 1.00 0.00 C ATOM 0 H LEU A 18 0.440 -45.478 -15.340 1.00 0.00 H new ATOM 0 HA LEU A 18 0.738 -43.315 -13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.085 -46.351 -13.413 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.257 -45.351 -11.984 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.767 -46.541 -12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.393 -44.555 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.793 -44.306 -10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.197 -43.508 -12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.784 -45.998 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.740 -45.089 -14.503 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.491 -46.836 -14.275 1.00 0.00 H new ATOM 316 N LYS A 19 3.425 -44.780 -14.622 1.00 0.00 N ATOM 317 CA LYS A 19 4.741 -44.342 -15.102 1.00 0.00 C ATOM 318 C LYS A 19 4.764 -42.935 -15.756 1.00 0.00 C ATOM 319 O LYS A 19 5.681 -42.157 -15.484 1.00 0.00 O ATOM 320 CB LYS A 19 5.206 -45.425 -16.129 1.00 0.00 C ATOM 321 CG LYS A 19 6.370 -45.027 -17.075 1.00 0.00 C ATOM 322 CD LYS A 19 6.971 -46.221 -17.840 1.00 0.00 C ATOM 323 CE LYS A 19 8.282 -45.806 -18.520 1.00 0.00 C ATOM 324 NZ LYS A 19 9.216 -46.922 -18.461 1.00 0.00 N ATOM 0 H LYS A 19 3.144 -45.703 -14.954 1.00 0.00 H new ATOM 0 HA LYS A 19 5.408 -44.246 -14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.506 -46.314 -15.575 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.349 -45.705 -16.742 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.010 -44.290 -17.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.155 -44.547 -16.491 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.154 -47.048 -17.153 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.262 -46.578 -18.587 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.097 -45.524 -19.556 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.705 -44.933 -18.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.115 -46.646 -18.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.385 -47.181 -17.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.816 -47.737 -18.968 1.00 0.00 H new ATOM 338 N LYS A 20 3.817 -42.567 -16.634 1.00 0.00 N ATOM 339 CA LYS A 20 3.694 -41.185 -17.118 1.00 0.00 C ATOM 340 C LYS A 20 3.377 -40.196 -15.965 1.00 0.00 C ATOM 341 O LYS A 20 3.817 -39.048 -16.033 1.00 0.00 O ATOM 342 CB LYS A 20 2.645 -41.148 -18.266 1.00 0.00 C ATOM 343 CG LYS A 20 2.560 -39.829 -19.079 1.00 0.00 C ATOM 344 CD LYS A 20 1.413 -38.893 -18.622 1.00 0.00 C ATOM 345 CE LYS A 20 1.330 -37.590 -19.423 1.00 0.00 C ATOM 346 NZ LYS A 20 2.437 -36.717 -19.042 1.00 0.00 N ATOM 0 H LYS A 20 3.126 -43.209 -17.023 1.00 0.00 H new ATOM 0 HA LYS A 20 4.650 -40.849 -17.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.865 -41.962 -18.957 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.663 -41.350 -17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.508 -39.297 -18.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.423 -40.070 -20.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.465 -39.424 -18.709 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.549 -38.654 -17.567 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.371 -37.803 -20.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.378 -37.093 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.220 -35.739 -19.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.575 -36.761 -18.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.306 -37.029 -19.521 1.00 0.00 H new ATOM 360 N CYS A 21 2.655 -40.588 -14.895 1.00 0.00 N ATOM 361 CA CYS A 21 2.556 -39.800 -13.657 1.00 0.00 C ATOM 362 C CYS A 21 3.907 -39.608 -12.912 1.00 0.00 C ATOM 363 O CYS A 21 4.163 -38.512 -12.394 1.00 0.00 O ATOM 364 CB CYS A 21 1.486 -40.444 -12.764 1.00 0.00 C ATOM 365 SG CYS A 21 0.949 -39.389 -11.400 1.00 0.00 S ATOM 0 H CYS A 21 2.126 -41.460 -14.869 1.00 0.00 H new ATOM 0 HA CYS A 21 2.264 -38.785 -13.925 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.621 -40.701 -13.376 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.877 -41.377 -12.358 1.00 0.00 H new ATOM 370 N CYS A 22 4.792 -40.630 -12.875 1.00 0.00 N ATOM 371 CA CYS A 22 6.234 -40.447 -12.591 1.00 0.00 C ATOM 372 C CYS A 22 6.804 -39.321 -13.438 1.00 0.00 C ATOM 373 O CYS A 22 7.382 -38.369 -12.923 1.00 0.00 O ATOM 374 CB CYS A 22 7.043 -41.770 -12.710 1.00 0.00 C ATOM 375 SG CYS A 22 8.469 -41.926 -11.590 1.00 0.00 S ATOM 0 H CYS A 22 4.528 -41.601 -13.040 1.00 0.00 H new ATOM 0 HA CYS A 22 6.333 -40.152 -11.546 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.367 -42.605 -12.527 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.398 -41.866 -13.736 1.00 0.00 H new ATOM 380 N TYR A 23 6.583 -39.386 -14.735 1.00 0.00 N ATOM 381 CA TYR A 23 7.170 -38.405 -15.629 1.00 0.00 C ATOM 382 C TYR A 23 6.503 -37.007 -15.570 1.00 0.00 C ATOM 383 O TYR A 23 7.158 -36.008 -15.877 1.00 0.00 O ATOM 384 CB TYR A 23 7.326 -39.115 -16.963 1.00 0.00 C ATOM 385 CG TYR A 23 8.201 -40.401 -16.856 1.00 0.00 C ATOM 386 CD1 TYR A 23 8.885 -40.894 -15.716 1.00 0.00 C ATOM 387 CD2 TYR A 23 8.423 -41.062 -18.047 1.00 0.00 C ATOM 388 CE1 TYR A 23 9.774 -41.945 -15.835 1.00 0.00 C ATOM 389 CE2 TYR A 23 9.310 -42.112 -18.156 1.00 0.00 C ATOM 390 CZ TYR A 23 9.991 -42.545 -17.047 1.00 0.00 C ATOM 391 OH TYR A 23 10.884 -43.563 -17.139 1.00 0.00 O ATOM 0 H TYR A 23 6.010 -40.096 -15.190 1.00 0.00 H new ATOM 0 HA TYR A 23 8.164 -38.077 -15.325 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.341 -39.381 -17.347 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.776 -38.432 -17.684 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.710 -40.445 -14.749 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.882 -40.745 -18.926 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.304 -42.297 -14.962 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.468 -42.592 -19.111 1.00 0.00 H new ATOM 0 HH TYR A 23 10.922 -43.882 -18.065 1.00 0.00 H new ATOM 401 N ASP A 24 5.236 -36.906 -15.124 1.00 0.00 N ATOM 402 CA ASP A 24 4.647 -35.659 -14.600 1.00 0.00 C ATOM 403 C ASP A 24 5.367 -35.117 -13.349 1.00 0.00 C ATOM 404 O ASP A 24 5.401 -33.901 -13.156 1.00 0.00 O ATOM 405 CB ASP A 24 3.134 -35.818 -14.251 1.00 0.00 C ATOM 406 CG ASP A 24 2.256 -36.269 -15.420 1.00 0.00 C ATOM 407 OD1 ASP A 24 2.518 -35.923 -16.577 1.00 0.00 O ATOM 408 OD2 ASP A 24 1.284 -36.968 -15.157 1.00 0.00 O ATOM 0 H ASP A 24 4.588 -37.694 -15.117 1.00 0.00 H new ATOM 0 HA ASP A 24 4.771 -34.945 -15.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.035 -36.539 -13.440 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.758 -34.865 -13.878 1.00 0.00 H new ATOM 413 N GLY A 25 5.869 -35.989 -12.461 1.00 0.00 N ATOM 414 CA GLY A 25 6.792 -35.598 -11.381 1.00 0.00 C ATOM 415 C GLY A 25 8.214 -35.237 -11.830 1.00 0.00 C ATOM 416 O GLY A 25 8.788 -34.284 -11.306 1.00 0.00 O ATOM 0 H GLY A 25 5.647 -36.985 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.367 -34.743 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.852 -36.416 -10.663 1.00 0.00 H new ATOM 420 N ALA A 26 8.797 -36.003 -12.764 1.00 0.00 N ATOM 421 CA ALA A 26 10.131 -35.738 -13.318 1.00 0.00 C ATOM 422 C ALA A 26 10.235 -34.423 -14.114 1.00 0.00 C ATOM 423 O ALA A 26 11.239 -33.719 -13.967 1.00 0.00 O ATOM 424 CB ALA A 26 10.587 -36.924 -14.190 1.00 0.00 C ATOM 0 H ALA A 26 8.351 -36.831 -13.159 1.00 0.00 H new ATOM 0 HA ALA A 26 10.794 -35.621 -12.461 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.577 -36.717 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.625 -37.828 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.882 -37.066 -15.009 1.00 0.00 H new ATOM 430 N TYR A 27 9.246 -34.046 -14.944 1.00 0.00 N ATOM 431 CA TYR A 27 9.228 -32.730 -15.604 1.00 0.00 C ATOM 432 C TYR A 27 8.889 -31.564 -14.641 1.00 0.00 C ATOM 433 O TYR A 27 7.871 -30.863 -14.746 1.00 0.00 O ATOM 434 CB TYR A 27 8.297 -32.770 -16.849 1.00 0.00 C ATOM 435 CG TYR A 27 8.961 -33.521 -18.014 1.00 0.00 C ATOM 436 CD1 TYR A 27 9.798 -32.871 -18.905 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.747 -34.873 -18.218 1.00 0.00 C ATOM 438 CE1 TYR A 27 10.397 -33.544 -19.953 1.00 0.00 C ATOM 439 CE2 TYR A 27 9.340 -35.556 -19.262 1.00 0.00 C ATOM 440 CZ TYR A 27 10.168 -34.885 -20.130 1.00 0.00 C ATOM 441 OH TYR A 27 10.763 -35.532 -21.164 1.00 0.00 O ATOM 0 H TYR A 27 8.447 -34.637 -15.174 1.00 0.00 H new ATOM 0 HA TYR A 27 10.242 -32.519 -15.943 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.357 -33.256 -16.588 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.055 -31.753 -17.159 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.987 -31.815 -18.778 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.098 -35.409 -17.542 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.046 -33.013 -20.634 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.154 -36.611 -19.396 1.00 0.00 H new ATOM 0 HH TYR A 27 10.502 -36.477 -21.153 1.00 0.00 H new ATOM 451 N ARG A 28 9.787 -31.376 -13.666 1.00 0.00 N ATOM 452 CA ARG A 28 9.708 -30.305 -12.678 1.00 0.00 C ATOM 453 C ARG A 28 10.649 -29.137 -13.045 1.00 0.00 C ATOM 454 O ARG A 28 11.855 -29.333 -13.243 1.00 0.00 O ATOM 455 CB ARG A 28 10.109 -30.933 -11.324 1.00 0.00 C ATOM 456 CG ARG A 28 9.926 -29.997 -10.114 1.00 0.00 C ATOM 457 CD ARG A 28 10.615 -30.549 -8.878 1.00 0.00 C ATOM 458 NE ARG A 28 10.516 -29.560 -7.807 1.00 0.00 N ATOM 459 CZ ARG A 28 11.201 -29.577 -6.701 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.064 -30.472 -6.407 1.00 0.00 N ATOM 461 NH2 ARG A 28 10.973 -28.634 -5.880 1.00 0.00 N ATOM 0 H ARG A 28 10.602 -31.977 -13.544 1.00 0.00 H new ATOM 0 HA ARG A 28 8.702 -29.887 -12.636 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.517 -31.834 -11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.153 -31.243 -11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.331 -29.013 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.863 -29.865 -9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.149 -31.486 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.660 -30.769 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 28 9.856 -28.793 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.251 -31.234 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.566 -30.424 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.283 -27.917 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.480 -28.594 -4.996 1.00 0.00 H new ATOM 475 N ASN A 29 10.135 -27.899 -13.092 1.00 0.00 N ATOM 476 CA ASN A 29 10.920 -26.712 -13.450 1.00 0.00 C ATOM 477 C ASN A 29 11.025 -25.750 -12.237 1.00 0.00 C ATOM 478 O ASN A 29 11.679 -26.101 -11.250 1.00 0.00 O ATOM 479 CB ASN A 29 10.283 -26.063 -14.718 1.00 0.00 C ATOM 480 CG ASN A 29 10.348 -26.996 -15.926 1.00 0.00 C ATOM 481 OD1 ASN A 29 11.234 -26.892 -16.761 1.00 0.00 O ATOM 482 ND2 ASN A 29 9.432 -27.930 -16.098 1.00 0.00 N ATOM 0 H ASN A 29 9.158 -27.694 -12.881 1.00 0.00 H new ATOM 0 HA ASN A 29 11.947 -26.978 -13.700 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.244 -25.807 -14.512 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.801 -25.132 -14.949 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.475 -28.543 -16.912 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.681 -28.039 -15.417 1.00 0.00 H new ATOM 489 N ASP A 30 10.425 -24.546 -12.231 1.00 0.00 N ATOM 490 CA ASP A 30 10.338 -23.650 -11.066 1.00 0.00 C ATOM 491 C ASP A 30 9.286 -24.073 -10.002 1.00 0.00 C ATOM 492 O ASP A 30 8.710 -23.237 -9.298 1.00 0.00 O ATOM 493 CB ASP A 30 10.046 -22.214 -11.604 1.00 0.00 C ATOM 494 CG ASP A 30 11.090 -21.753 -12.618 1.00 0.00 C ATOM 495 OD1 ASP A 30 10.943 -22.095 -13.791 1.00 0.00 O ATOM 496 OD2 ASP A 30 12.025 -21.062 -12.224 1.00 0.00 O ATOM 0 H ASP A 30 9.975 -24.160 -13.061 1.00 0.00 H new ATOM 0 HA ASP A 30 11.288 -23.696 -10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.060 -22.195 -12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.019 -21.514 -10.769 1.00 0.00 H new ATOM 501 N ASP A 31 9.031 -25.377 -9.841 1.00 0.00 N ATOM 502 CA ASP A 31 7.950 -25.894 -9.000 1.00 0.00 C ATOM 503 C ASP A 31 8.458 -26.198 -7.573 1.00 0.00 C ATOM 504 O ASP A 31 9.113 -27.214 -7.318 1.00 0.00 O ATOM 505 CB ASP A 31 7.348 -27.169 -9.648 1.00 0.00 C ATOM 506 CG ASP A 31 6.945 -26.984 -11.108 1.00 0.00 C ATOM 507 OD1 ASP A 31 7.801 -27.133 -11.980 1.00 0.00 O ATOM 508 OD2 ASP A 31 5.763 -26.777 -11.371 1.00 0.00 O ATOM 0 H ASP A 31 9.576 -26.109 -10.297 1.00 0.00 H new ATOM 0 HA ASP A 31 7.173 -25.133 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.076 -27.978 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.474 -27.478 -9.075 1.00 0.00 H new ATOM 513 N GLU A 32 8.162 -25.278 -6.647 1.00 0.00 N ATOM 514 CA GLU A 32 8.596 -25.349 -5.248 1.00 0.00 C ATOM 515 C GLU A 32 8.031 -26.532 -4.432 1.00 0.00 C ATOM 516 O GLU A 32 8.792 -27.190 -3.719 1.00 0.00 O ATOM 517 CB GLU A 32 8.269 -23.999 -4.548 1.00 0.00 C ATOM 518 CG GLU A 32 8.961 -22.742 -5.181 1.00 0.00 C ATOM 519 CD GLU A 32 10.491 -22.778 -5.115 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.039 -22.483 -4.055 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.111 -23.084 -6.130 1.00 0.00 O ATOM 0 H GLU A 32 7.604 -24.449 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 32 9.670 -25.534 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.190 -23.849 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.563 -24.069 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.654 -22.656 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.606 -21.847 -4.669 1.00 0.00 H new ATOM 528 N THR A 33 6.729 -26.840 -4.515 1.00 0.00 N ATOM 529 CA THR A 33 6.105 -27.886 -3.689 1.00 0.00 C ATOM 530 C THR A 33 5.373 -28.935 -4.551 1.00 0.00 C ATOM 531 O THR A 33 4.313 -28.659 -5.125 1.00 0.00 O ATOM 532 CB THR A 33 5.135 -27.242 -2.652 1.00 0.00 C ATOM 533 OG1 THR A 33 5.802 -26.252 -1.887 1.00 0.00 O ATOM 534 CG2 THR A 33 4.626 -28.204 -1.582 1.00 0.00 C ATOM 0 H THR A 33 6.082 -26.375 -5.152 1.00 0.00 H new ATOM 0 HA THR A 33 6.897 -28.409 -3.153 1.00 0.00 H new ATOM 0 HB THR A 33 4.318 -26.871 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.176 -25.859 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.958 -27.673 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.085 -29.023 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.471 -28.604 -1.021 1.00 0.00 H new ATOM 542 N CYS A 34 5.939 -30.152 -4.628 1.00 0.00 N ATOM 543 CA CYS A 34 5.423 -31.253 -5.451 1.00 0.00 C ATOM 544 C CYS A 34 4.006 -31.721 -5.080 1.00 0.00 C ATOM 545 O CYS A 34 3.190 -31.925 -5.977 1.00 0.00 O ATOM 546 CB CYS A 34 6.383 -32.470 -5.410 1.00 0.00 C ATOM 547 SG CYS A 34 7.909 -32.268 -6.365 1.00 0.00 S ATOM 0 H CYS A 34 6.782 -30.399 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 34 5.363 -30.840 -6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.645 -32.673 -4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.852 -33.346 -5.782 1.00 0.00 H new ATOM 552 N GLU A 35 3.686 -31.887 -3.789 1.00 0.00 N ATOM 553 CA GLU A 35 2.350 -32.309 -3.345 1.00 0.00 C ATOM 554 C GLU A 35 1.255 -31.224 -3.447 1.00 0.00 C ATOM 555 O GLU A 35 0.086 -31.539 -3.231 1.00 0.00 O ATOM 556 CB GLU A 35 2.345 -33.047 -1.964 1.00 0.00 C ATOM 557 CG GLU A 35 3.086 -32.392 -0.751 1.00 0.00 C ATOM 558 CD GLU A 35 4.606 -32.546 -0.855 1.00 0.00 C ATOM 559 OE1 GLU A 35 5.242 -31.675 -1.448 1.00 0.00 O ATOM 560 OE2 GLU A 35 5.145 -33.557 -0.399 1.00 0.00 O ATOM 0 H GLU A 35 4.344 -31.733 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 35 2.066 -33.056 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.305 -33.194 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.776 -34.036 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.832 -31.333 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.738 -32.849 0.176 1.00 0.00 H new ATOM 567 N GLU A 36 1.556 -29.959 -3.783 1.00 0.00 N ATOM 568 CA GLU A 36 0.529 -28.983 -4.177 1.00 0.00 C ATOM 569 C GLU A 36 0.102 -29.225 -5.645 1.00 0.00 C ATOM 570 O GLU A 36 -1.084 -29.365 -5.973 1.00 0.00 O ATOM 571 CB GLU A 36 1.069 -27.543 -3.982 1.00 0.00 C ATOM 572 CG GLU A 36 -0.075 -26.480 -4.029 1.00 0.00 C ATOM 573 CD GLU A 36 0.408 -25.109 -4.502 1.00 0.00 C ATOM 574 OE1 GLU A 36 0.961 -24.361 -3.703 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.199 -24.812 -5.681 1.00 0.00 O ATOM 0 H GLU A 36 2.506 -29.588 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.350 -29.107 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.587 -27.476 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.802 -27.322 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.864 -26.831 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.515 -26.382 -3.036 1.00 0.00 H new ATOM 582 N ARG A 37 1.117 -29.305 -6.520 1.00 0.00 N ATOM 583 CA ARG A 37 0.976 -29.747 -7.907 1.00 0.00 C ATOM 584 C ARG A 37 0.335 -31.148 -7.991 1.00 0.00 C ATOM 585 O ARG A 37 -0.604 -31.331 -8.765 1.00 0.00 O ATOM 586 CB ARG A 37 2.381 -29.648 -8.562 1.00 0.00 C ATOM 587 CG ARG A 37 2.511 -30.173 -10.014 1.00 0.00 C ATOM 588 CD ARG A 37 3.850 -29.743 -10.632 1.00 0.00 C ATOM 589 NE ARG A 37 4.230 -30.636 -11.731 1.00 0.00 N ATOM 590 CZ ARG A 37 5.174 -30.391 -12.601 1.00 0.00 C ATOM 591 NH1 ARG A 37 5.614 -29.227 -12.886 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.686 -31.340 -13.278 1.00 0.00 N ATOM 0 H ARG A 37 2.075 -29.058 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 37 0.288 -29.110 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.689 -28.603 -8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.087 -30.196 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.435 -31.260 -10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.688 -29.792 -10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.773 -28.720 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.627 -29.750 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 37 3.719 -31.514 -11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.225 -28.407 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.355 -29.117 -13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.360 -32.297 -13.143 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.422 -31.143 -13.956 1.00 0.00 H new ATOM 606 N ALA A 38 0.771 -32.133 -7.196 1.00 0.00 N ATOM 607 CA ALA A 38 0.093 -33.425 -7.089 1.00 0.00 C ATOM 608 C ALA A 38 -0.971 -33.570 -5.971 1.00 0.00 C ATOM 609 O ALA A 38 -1.329 -34.680 -5.573 1.00 0.00 O ATOM 610 CB ALA A 38 1.139 -34.537 -7.163 1.00 0.00 C ATOM 0 H ALA A 38 1.603 -32.054 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.569 -33.514 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.646 -35.506 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.669 -34.475 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.849 -34.424 -6.344 1.00 0.00 H new ATOM 616 N ALA A 39 -1.475 -32.477 -5.383 1.00 0.00 N ATOM 617 CA ALA A 39 -2.895 -32.371 -5.034 1.00 0.00 C ATOM 618 C ALA A 39 -3.783 -32.137 -6.274 1.00 0.00 C ATOM 619 O ALA A 39 -4.891 -32.672 -6.344 1.00 0.00 O ATOM 620 CB ALA A 39 -3.098 -31.249 -3.998 1.00 0.00 C ATOM 0 H ALA A 39 -0.921 -31.656 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.203 -33.322 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.155 -31.176 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.523 -31.475 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.759 -30.301 -4.417 1.00 0.00 H new ATOM 626 N ARG A 40 -3.325 -31.318 -7.240 1.00 0.00 N ATOM 627 CA ARG A 40 -4.002 -31.178 -8.542 1.00 0.00 C ATOM 628 C ARG A 40 -3.912 -32.457 -9.413 1.00 0.00 C ATOM 629 O ARG A 40 -4.893 -32.841 -10.052 1.00 0.00 O ATOM 630 CB ARG A 40 -3.451 -29.952 -9.316 1.00 0.00 C ATOM 631 CG ARG A 40 -3.613 -28.607 -8.569 1.00 0.00 C ATOM 632 CD ARG A 40 -3.052 -27.444 -9.399 1.00 0.00 C ATOM 633 NE ARG A 40 -3.090 -26.213 -8.605 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.123 -25.755 -7.859 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.052 -26.387 -7.572 1.00 0.00 N ATOM 636 NH2 ARG A 40 -2.231 -24.607 -7.319 1.00 0.00 N ATOM 0 H ARG A 40 -2.488 -30.743 -7.142 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.059 -31.021 -8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.394 -30.114 -9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.960 -29.885 -10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.667 -28.430 -8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.097 -28.656 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.028 -27.661 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.636 -27.319 -10.311 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.950 -25.665 -8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.902 -27.328 -7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.346 -25.951 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.071 -24.049 -7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.477 -24.245 -6.735 1.00 0.00 H new ATOM 650 N ILE A 41 -2.742 -33.110 -9.517 1.00 0.00 N ATOM 651 CA ILE A 41 -2.606 -34.497 -9.981 1.00 0.00 C ATOM 652 C ILE A 41 -3.100 -35.514 -8.923 1.00 0.00 C ATOM 653 O ILE A 41 -2.411 -36.139 -8.116 1.00 0.00 O ATOM 654 CB ILE A 41 -1.199 -34.827 -10.545 1.00 0.00 C ATOM 655 CG1 ILE A 41 -0.818 -33.931 -11.745 1.00 0.00 C ATOM 656 CG2 ILE A 41 -1.093 -36.247 -11.013 1.00 0.00 C ATOM 657 CD1 ILE A 41 0.194 -32.929 -11.267 1.00 0.00 C ATOM 0 H ILE A 41 -1.850 -32.679 -9.276 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.273 -34.598 -10.837 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.521 -34.649 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.407 -34.533 -12.555 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.699 -33.425 -12.139 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.090 -36.429 -11.399 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.289 -36.921 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.823 -36.425 -11.802 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.483 -32.281 -12.094 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.239 -32.327 -10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.074 -33.451 -10.891 1.00 0.00 H new ATOM 669 N LYS A 42 -4.410 -35.618 -9.055 1.00 0.00 N ATOM 670 CA LYS A 42 -5.310 -36.363 -8.169 1.00 0.00 C ATOM 671 C LYS A 42 -5.714 -37.773 -8.658 1.00 0.00 C ATOM 672 O LYS A 42 -6.587 -38.405 -8.059 1.00 0.00 O ATOM 673 CB LYS A 42 -6.556 -35.473 -7.882 1.00 0.00 C ATOM 674 CG LYS A 42 -7.377 -35.069 -9.131 1.00 0.00 C ATOM 675 CD LYS A 42 -8.554 -34.157 -8.748 1.00 0.00 C ATOM 676 CE LYS A 42 -9.329 -33.718 -9.987 1.00 0.00 C ATOM 677 NZ LYS A 42 -10.403 -32.843 -9.543 1.00 0.00 N ATOM 0 H LYS A 42 -4.909 -35.164 -9.820 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.754 -36.571 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.211 -36.004 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.226 -34.567 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.732 -34.555 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.753 -35.963 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.220 -34.684 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.182 -33.281 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.673 -33.197 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.732 -34.583 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.954 -32.524 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.025 -33.361 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.999 -32.018 -9.056 1.00 0.00 H new ATOM 691 N ILE A 43 -5.065 -38.300 -9.708 1.00 0.00 N ATOM 692 CA ILE A 43 -5.533 -39.476 -10.462 1.00 0.00 C ATOM 693 C ILE A 43 -5.522 -40.793 -9.649 1.00 0.00 C ATOM 694 O ILE A 43 -6.469 -41.576 -9.769 1.00 0.00 O ATOM 695 CB ILE A 43 -4.744 -39.570 -11.818 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.960 -38.284 -12.677 1.00 0.00 C ATOM 697 CG2 ILE A 43 -5.139 -40.818 -12.657 1.00 0.00 C ATOM 698 CD1 ILE A 43 -3.933 -38.095 -13.817 1.00 0.00 C ATOM 0 H ILE A 43 -4.189 -37.917 -10.063 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.590 -39.332 -10.685 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.691 -39.665 -11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.961 -38.314 -13.108 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.921 -37.414 -12.022 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.563 -40.832 -13.582 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.929 -41.722 -12.085 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.203 -40.777 -12.892 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.158 -37.178 -14.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.930 -38.030 -13.396 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.986 -38.944 -14.499 1.00 0.00 H new ATOM 710 N GLY A 44 -4.511 -41.072 -8.809 1.00 0.00 N ATOM 711 CA GLY A 44 -4.525 -42.275 -7.960 1.00 0.00 C ATOM 712 C GLY A 44 -3.380 -42.420 -6.930 1.00 0.00 C ATOM 713 O GLY A 44 -2.393 -41.685 -7.037 1.00 0.00 O ATOM 0 H GLY A 44 -3.682 -40.488 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.472 -42.298 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.508 -43.149 -8.611 1.00 0.00 H new ATOM 717 N PRO A 45 -3.452 -43.345 -5.934 1.00 0.00 N ATOM 718 CA PRO A 45 -2.370 -43.648 -4.969 1.00 0.00 C ATOM 719 C PRO A 45 -0.999 -44.000 -5.583 1.00 0.00 C ATOM 720 O PRO A 45 0.024 -43.432 -5.186 1.00 0.00 O ATOM 721 CB PRO A 45 -2.928 -44.834 -4.162 1.00 0.00 C ATOM 722 CG PRO A 45 -4.410 -44.545 -4.152 1.00 0.00 C ATOM 723 CD PRO A 45 -4.665 -44.102 -5.590 1.00 0.00 C ATOM 0 HA PRO A 45 -2.141 -42.759 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.703 -45.790 -4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -2.514 -44.872 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.994 -45.427 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.667 -43.766 -3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.808 -44.955 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.560 -43.484 -5.667 1.00 0.00 H new ATOM 731 N LYS A 46 -0.981 -44.930 -6.553 1.00 0.00 N ATOM 732 CA LYS A 46 0.204 -45.249 -7.358 1.00 0.00 C ATOM 733 C LYS A 46 0.746 -44.045 -8.151 1.00 0.00 C ATOM 734 O LYS A 46 1.960 -43.934 -8.328 1.00 0.00 O ATOM 735 CB LYS A 46 -0.101 -46.426 -8.325 1.00 0.00 C ATOM 736 CG LYS A 46 0.439 -47.783 -7.816 1.00 0.00 C ATOM 737 CD LYS A 46 0.126 -48.968 -8.767 1.00 0.00 C ATOM 738 CE LYS A 46 0.789 -48.927 -10.158 1.00 0.00 C ATOM 739 NZ LYS A 46 2.222 -49.198 -10.067 1.00 0.00 N ATOM 0 H LYS A 46 -1.800 -45.486 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 46 0.984 -45.538 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.179 -46.501 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.336 -46.210 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.518 -47.709 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.011 -47.991 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.428 -49.891 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.954 -49.019 -8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.318 -49.662 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.629 -47.949 -10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.630 -49.231 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.684 -48.444 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.373 -50.112 -9.594 1.00 0.00 H new ATOM 753 N CYS A 47 -0.149 -43.145 -8.590 1.00 0.00 N ATOM 754 CA CYS A 47 0.205 -41.911 -9.289 1.00 0.00 C ATOM 755 C CYS A 47 0.945 -40.963 -8.334 1.00 0.00 C ATOM 756 O CYS A 47 2.104 -40.672 -8.626 1.00 0.00 O ATOM 757 CB CYS A 47 -1.085 -41.269 -9.865 1.00 0.00 C ATOM 758 SG CYS A 47 -0.969 -39.931 -11.085 1.00 0.00 S ATOM 0 H CYS A 47 -1.154 -43.262 -8.464 1.00 0.00 H new ATOM 0 HA CYS A 47 0.879 -42.124 -10.119 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.671 -42.069 -10.317 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.662 -40.889 -9.022 1.00 0.00 H new ATOM 763 N VAL A 48 0.351 -40.500 -7.212 1.00 0.00 N ATOM 764 CA VAL A 48 1.089 -39.745 -6.184 1.00 0.00 C ATOM 765 C VAL A 48 2.406 -40.394 -5.716 1.00 0.00 C ATOM 766 O VAL A 48 3.386 -39.672 -5.524 1.00 0.00 O ATOM 767 CB VAL A 48 0.250 -39.333 -4.923 1.00 0.00 C ATOM 768 CG1 VAL A 48 0.200 -37.815 -4.829 1.00 0.00 C ATOM 769 CG2 VAL A 48 -1.196 -39.816 -4.876 1.00 0.00 C ATOM 0 H VAL A 48 -0.637 -40.638 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 48 1.333 -38.838 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 48 0.769 -39.819 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.382 -37.524 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.213 -37.423 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.267 -37.410 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.667 -39.466 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.739 -39.422 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.217 -40.905 -4.902 1.00 0.00 H new ATOM 779 N LYS A 49 2.454 -41.727 -5.537 1.00 0.00 N ATOM 780 CA LYS A 49 3.712 -42.433 -5.247 1.00 0.00 C ATOM 781 C LYS A 49 4.747 -42.348 -6.395 1.00 0.00 C ATOM 782 O LYS A 49 5.851 -41.868 -6.125 1.00 0.00 O ATOM 783 CB LYS A 49 3.431 -43.897 -4.811 1.00 0.00 C ATOM 784 CG LYS A 49 4.648 -44.661 -4.212 1.00 0.00 C ATOM 785 CD LYS A 49 5.168 -44.050 -2.882 1.00 0.00 C ATOM 786 CE LYS A 49 6.275 -44.855 -2.193 1.00 0.00 C ATOM 787 NZ LYS A 49 7.480 -44.846 -3.013 1.00 0.00 N ATOM 0 H LYS A 49 1.636 -42.335 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 49 4.179 -41.914 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.629 -43.891 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.065 -44.452 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.366 -45.700 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.458 -44.667 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.540 -43.045 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.329 -43.949 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.489 -44.430 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.943 -45.880 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.276 -45.229 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.329 -45.432 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.696 -43.871 -3.302 1.00 0.00 H new ATOM 801 N ALA A 50 4.430 -42.744 -7.649 1.00 0.00 N ATOM 802 CA ALA A 50 5.296 -42.554 -8.833 1.00 0.00 C ATOM 803 C ALA A 50 5.751 -41.077 -8.948 1.00 0.00 C ATOM 804 O ALA A 50 6.949 -40.804 -9.052 1.00 0.00 O ATOM 805 CB ALA A 50 4.503 -43.024 -10.092 1.00 0.00 C ATOM 0 H ALA A 50 3.551 -43.212 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 50 6.205 -43.149 -8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.121 -42.894 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.239 -44.076 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.594 -42.431 -10.192 1.00 0.00 H new ATOM 811 N PHE A 51 4.803 -40.132 -8.806 1.00 0.00 N ATOM 812 CA PHE A 51 5.050 -38.685 -8.782 1.00 0.00 C ATOM 813 C PHE A 51 6.062 -38.266 -7.696 1.00 0.00 C ATOM 814 O PHE A 51 7.048 -37.604 -8.023 1.00 0.00 O ATOM 815 CB PHE A 51 3.683 -37.981 -8.521 1.00 0.00 C ATOM 816 CG PHE A 51 3.634 -36.525 -8.996 1.00 0.00 C ATOM 817 CD1 PHE A 51 4.377 -35.516 -8.402 1.00 0.00 C ATOM 818 CD2 PHE A 51 2.903 -36.194 -10.120 1.00 0.00 C ATOM 819 CE1 PHE A 51 4.414 -34.242 -8.932 1.00 0.00 C ATOM 820 CE2 PHE A 51 2.936 -34.940 -10.656 1.00 0.00 C ATOM 821 CZ PHE A 51 3.700 -33.954 -10.072 1.00 0.00 C ATOM 0 H PHE A 51 3.815 -40.365 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 51 5.484 -38.392 -9.738 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.895 -38.543 -9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.468 -38.012 -7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.939 -35.732 -7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.288 -36.949 -10.588 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.002 -33.473 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.360 -34.719 -11.543 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.738 -32.965 -10.505 1.00 0.00 H new ATOM 831 N LYS A 52 5.835 -38.626 -6.420 1.00 0.00 N ATOM 832 CA LYS A 52 6.727 -38.275 -5.310 1.00 0.00 C ATOM 833 C LYS A 52 8.135 -38.906 -5.442 1.00 0.00 C ATOM 834 O LYS A 52 9.131 -38.256 -5.109 1.00 0.00 O ATOM 835 CB LYS A 52 6.035 -38.670 -3.973 1.00 0.00 C ATOM 836 CG LYS A 52 6.717 -38.224 -2.652 1.00 0.00 C ATOM 837 CD LYS A 52 6.667 -36.702 -2.372 1.00 0.00 C ATOM 838 CE LYS A 52 7.313 -36.388 -1.019 1.00 0.00 C ATOM 839 NZ LYS A 52 7.328 -34.944 -0.817 1.00 0.00 N ATOM 0 H LYS A 52 5.022 -39.171 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 52 6.899 -37.199 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.025 -38.261 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.940 -39.756 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.243 -38.747 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.760 -38.540 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.186 -36.163 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.633 -36.358 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.758 -36.874 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.329 -36.782 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.639 -34.732 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.984 -34.505 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.372 -34.563 -0.964 1.00 0.00 H new ATOM 853 N ASP A 53 8.255 -40.147 -5.949 1.00 0.00 N ATOM 854 CA ASP A 53 9.557 -40.778 -6.213 1.00 0.00 C ATOM 855 C ASP A 53 10.358 -40.054 -7.323 1.00 0.00 C ATOM 856 O ASP A 53 11.555 -39.758 -7.183 1.00 0.00 O ATOM 857 CB ASP A 53 9.345 -42.274 -6.582 1.00 0.00 C ATOM 858 CG ASP A 53 8.636 -43.098 -5.506 1.00 0.00 C ATOM 859 OD1 ASP A 53 8.752 -42.828 -4.306 1.00 0.00 O ATOM 860 OD2 ASP A 53 7.975 -44.068 -5.871 1.00 0.00 O ATOM 0 H ASP A 53 7.456 -40.736 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 53 10.150 -40.701 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.766 -42.329 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.316 -42.726 -6.787 1.00 0.00 H new ATOM 865 N CYS A 54 9.689 -39.774 -8.447 1.00 0.00 N ATOM 866 CA CYS A 54 10.245 -38.911 -9.486 1.00 0.00 C ATOM 867 C CYS A 54 10.483 -37.442 -9.053 1.00 0.00 C ATOM 868 O CYS A 54 11.420 -36.822 -9.562 1.00 0.00 O ATOM 869 CB CYS A 54 9.405 -39.039 -10.762 1.00 0.00 C ATOM 870 SG CYS A 54 9.811 -40.433 -11.860 1.00 0.00 S ATOM 0 H CYS A 54 8.759 -40.136 -8.657 1.00 0.00 H new ATOM 0 HA CYS A 54 11.254 -39.267 -9.692 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.357 -39.124 -10.474 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.505 -38.115 -11.331 1.00 0.00 H new ATOM 875 N CYS A 55 9.693 -36.852 -8.137 1.00 0.00 N ATOM 876 CA CYS A 55 10.054 -35.608 -7.432 1.00 0.00 C ATOM 877 C CYS A 55 11.382 -35.738 -6.650 1.00 0.00 C ATOM 878 O CYS A 55 12.202 -34.812 -6.688 1.00 0.00 O ATOM 879 CB CYS A 55 8.897 -35.177 -6.492 1.00 0.00 C ATOM 880 SG CYS A 55 9.153 -33.640 -5.558 1.00 0.00 S ATOM 0 H CYS A 55 8.784 -37.226 -7.864 1.00 0.00 H new ATOM 0 HA CYS A 55 10.211 -34.835 -8.185 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.992 -35.068 -7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.714 -35.983 -5.782 1.00 0.00 H new ATOM 885 N TYR A 56 11.622 -36.858 -5.944 1.00 0.00 N ATOM 886 CA TYR A 56 12.936 -37.158 -5.361 1.00 0.00 C ATOM 887 C TYR A 56 14.075 -37.220 -6.395 1.00 0.00 C ATOM 888 O TYR A 56 15.120 -36.623 -6.110 1.00 0.00 O ATOM 889 CB TYR A 56 12.917 -38.452 -4.508 1.00 0.00 C ATOM 890 CG TYR A 56 12.392 -38.199 -3.088 1.00 0.00 C ATOM 891 CD1 TYR A 56 13.188 -37.595 -2.128 1.00 0.00 C ATOM 892 CD2 TYR A 56 11.133 -38.615 -2.693 1.00 0.00 C ATOM 893 CE1 TYR A 56 12.749 -37.420 -0.831 1.00 0.00 C ATOM 894 CE2 TYR A 56 10.687 -38.449 -1.397 1.00 0.00 C ATOM 895 CZ TYR A 56 11.499 -37.849 -0.467 1.00 0.00 C ATOM 896 OH TYR A 56 11.078 -37.672 0.811 1.00 0.00 O ATOM 0 H TYR A 56 10.916 -37.572 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 56 13.147 -36.312 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.292 -39.199 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.924 -38.865 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.175 -37.253 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.482 -39.082 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.390 -36.945 -0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.702 -38.790 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 56 10.170 -38.028 0.909 1.00 0.00 H new ATOM 906 N ILE A 57 13.970 -37.885 -7.568 1.00 0.00 N ATOM 907 CA ILE A 57 15.039 -37.734 -8.577 1.00 0.00 C ATOM 908 C ILE A 57 15.116 -36.346 -9.254 1.00 0.00 C ATOM 909 O ILE A 57 16.215 -35.949 -9.647 1.00 0.00 O ATOM 910 CB ILE A 57 15.317 -38.943 -9.535 1.00 0.00 C ATOM 911 CG1 ILE A 57 14.146 -39.537 -10.337 1.00 0.00 C ATOM 912 CG2 ILE A 57 16.031 -40.080 -8.770 1.00 0.00 C ATOM 913 CD1 ILE A 57 13.543 -38.588 -11.378 1.00 0.00 C ATOM 0 H ILE A 57 13.199 -38.500 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 57 15.915 -37.777 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 57 15.941 -38.484 -10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.489 -40.440 -10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.362 -39.839 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.218 -40.913 -9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.979 -39.714 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.401 -40.416 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.725 -39.088 -11.896 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.165 -37.695 -10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.309 -38.305 -12.099 1.00 0.00 H new ATOM 925 N ALA A 58 14.018 -35.581 -9.386 1.00 0.00 N ATOM 926 CA ALA A 58 14.058 -34.160 -9.765 1.00 0.00 C ATOM 927 C ALA A 58 14.868 -33.284 -8.774 1.00 0.00 C ATOM 928 O ALA A 58 15.586 -32.368 -9.196 1.00 0.00 O ATOM 929 CB ALA A 58 12.617 -33.653 -9.889 1.00 0.00 C ATOM 0 H ALA A 58 13.074 -35.934 -9.232 1.00 0.00 H new ATOM 0 HA ALA A 58 14.579 -34.078 -10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.625 -32.600 -10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.093 -34.228 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.107 -33.770 -8.933 1.00 0.00 H new ATOM 935 N ASN A 59 14.742 -33.541 -7.457 1.00 0.00 N ATOM 936 CA ASN A 59 15.630 -32.978 -6.427 1.00 0.00 C ATOM 937 C ASN A 59 17.093 -33.458 -6.541 1.00 0.00 C ATOM 938 O ASN A 59 18.013 -32.656 -6.364 1.00 0.00 O ATOM 939 CB ASN A 59 15.102 -33.281 -4.998 1.00 0.00 C ATOM 940 CG ASN A 59 13.818 -32.514 -4.691 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.815 -31.304 -4.484 1.00 0.00 O ATOM 942 ND2 ASN A 59 12.673 -33.161 -4.652 1.00 0.00 N ATOM 0 H ASN A 59 14.016 -34.149 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 59 15.625 -31.903 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.919 -34.351 -4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.866 -33.019 -4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.809 -32.657 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.649 -34.167 -4.821 1.00 0.00 H new ATOM 949 N GLN A 60 17.325 -34.751 -6.818 1.00 0.00 N ATOM 950 CA GLN A 60 18.666 -35.299 -7.065 1.00 0.00 C ATOM 951 C GLN A 60 19.348 -34.684 -8.311 1.00 0.00 C ATOM 952 O GLN A 60 20.554 -34.431 -8.282 1.00 0.00 O ATOM 953 CB GLN A 60 18.549 -36.841 -7.196 1.00 0.00 C ATOM 954 CG GLN A 60 19.831 -37.638 -6.833 1.00 0.00 C ATOM 955 CD GLN A 60 20.037 -37.705 -5.316 1.00 0.00 C ATOM 956 OE1 GLN A 60 19.263 -38.313 -4.585 1.00 0.00 O ATOM 957 NE2 GLN A 60 21.073 -37.105 -4.766 1.00 0.00 N ATOM 0 H GLN A 60 16.583 -35.448 -6.877 1.00 0.00 H new ATOM 0 HA GLN A 60 19.306 -35.038 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.736 -37.183 -6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.270 -37.082 -8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.760 -38.648 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.697 -37.168 -7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.734 -36.592 -5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.214 -37.154 -3.757 1.00 0.00 H new ATOM 966 N VAL A 61 18.601 -34.432 -9.403 1.00 0.00 N ATOM 967 CA VAL A 61 19.075 -33.634 -10.549 1.00 0.00 C ATOM 968 C VAL A 61 19.417 -32.177 -10.161 1.00 0.00 C ATOM 969 O VAL A 61 20.438 -31.659 -10.616 1.00 0.00 O ATOM 970 CB VAL A 61 18.047 -33.709 -11.732 1.00 0.00 C ATOM 971 CG1 VAL A 61 18.376 -32.798 -12.939 1.00 0.00 C ATOM 972 CG2 VAL A 61 17.950 -35.145 -12.290 1.00 0.00 C ATOM 0 H VAL A 61 17.648 -34.778 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 61 20.013 -34.073 -10.889 1.00 0.00 H new ATOM 0 HB VAL A 61 17.114 -33.368 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.610 -32.918 -13.705 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.403 -31.758 -12.613 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.347 -33.075 -13.350 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.231 -35.169 -13.109 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.927 -35.460 -12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.623 -35.821 -11.500 1.00 0.00 H new ATOM 982 N ARG A 62 18.602 -31.492 -9.337 1.00 0.00 N ATOM 983 CA ARG A 62 18.965 -30.185 -8.760 1.00 0.00 C ATOM 984 C ARG A 62 20.222 -30.204 -7.866 1.00 0.00 C ATOM 985 O ARG A 62 20.973 -29.225 -7.869 1.00 0.00 O ATOM 986 CB ARG A 62 17.762 -29.598 -7.989 1.00 0.00 C ATOM 987 CG ARG A 62 16.703 -29.044 -8.956 1.00 0.00 C ATOM 988 CD ARG A 62 15.313 -28.942 -8.315 1.00 0.00 C ATOM 989 NE ARG A 62 14.372 -28.419 -9.306 1.00 0.00 N ATOM 990 CZ ARG A 62 13.931 -29.041 -10.364 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.193 -30.258 -10.679 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.163 -28.399 -11.148 1.00 0.00 N ATOM 0 H ARG A 62 17.681 -31.826 -9.055 1.00 0.00 H new ATOM 0 HA ARG A 62 19.223 -29.547 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.317 -30.370 -7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.104 -28.804 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.013 -28.058 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.647 -29.687 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.986 -29.921 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.346 -28.287 -7.444 1.00 0.00 H new ATOM 0 HE ARG A 62 14.026 -27.472 -9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.793 -30.822 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.801 -30.660 -11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.913 -27.433 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.797 -28.850 -11.986 1.00 0.00 H new ATOM 1006 N ALA A 63 20.458 -31.271 -7.089 1.00 0.00 N ATOM 1007 CA ALA A 63 21.727 -31.471 -6.385 1.00 0.00 C ATOM 1008 C ALA A 63 22.900 -31.826 -7.328 1.00 0.00 C ATOM 1009 O ALA A 63 23.885 -31.084 -7.379 1.00 0.00 O ATOM 1010 CB ALA A 63 21.524 -32.546 -5.298 1.00 0.00 C ATOM 0 H ALA A 63 19.777 -32.014 -6.933 1.00 0.00 H new ATOM 0 HA ALA A 63 22.013 -30.526 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.461 -32.706 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.759 -32.214 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.208 -33.479 -5.764 1.00 0.00 H new ATOM 1016 N GLU A 64 22.827 -32.913 -8.114 1.00 0.00 N ATOM 1017 CA GLU A 64 23.926 -33.345 -8.989 1.00 0.00 C ATOM 1018 C GLU A 64 23.989 -32.589 -10.337 1.00 0.00 C ATOM 1019 O GLU A 64 23.741 -33.120 -11.422 1.00 0.00 O ATOM 1020 CB GLU A 64 23.879 -34.892 -9.165 1.00 0.00 C ATOM 1021 CG GLU A 64 24.577 -35.700 -8.021 1.00 0.00 C ATOM 1022 CD GLU A 64 23.982 -35.469 -6.629 1.00 0.00 C ATOM 1023 OE1 GLU A 64 22.882 -35.952 -6.364 1.00 0.00 O ATOM 1024 OE2 GLU A 64 24.636 -34.826 -5.814 1.00 0.00 O ATOM 0 H GLU A 64 22.005 -33.515 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 64 24.861 -33.078 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.837 -35.206 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.349 -35.151 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.519 -36.763 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.634 -35.436 -7.999 1.00 0.00 H new