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 12 LYS NZ :NH3+ 162:sc= 2.31 (180deg=0.925) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0.926 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0.00421) USER MOD Set 2.2: A 15 TYR OH : rot 180:sc= 1.04 USER MOD Set 3.1: A 13 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -161:sc= 2.43 (180deg=1.27) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.743) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.04) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.365 K(o=0.37,f=-2.8!) USER MOD Single : A 33 THR OG1 : rot -1:sc= 0.757 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 1.12 (180deg=1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -129:sc= 0.973 (180deg=0.45) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.399 K(o=0.4,f=-0.32) USER MOD Single : A 60 GLN : amide:sc= 1.18 K(o=1.2,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 8.304 -47.535 -6.482 1.00 0.00 N ATOM 101 CA ILE A 6 8.480 -47.510 -7.951 1.00 0.00 C ATOM 102 C ILE A 6 8.226 -48.913 -8.541 1.00 0.00 C ATOM 103 O ILE A 6 7.463 -49.027 -9.498 1.00 0.00 O ATOM 104 CB ILE A 6 9.883 -46.990 -8.435 1.00 0.00 C ATOM 105 CG1 ILE A 6 10.207 -45.601 -7.829 1.00 0.00 C ATOM 106 CG2 ILE A 6 9.958 -46.932 -10.010 1.00 0.00 C ATOM 107 CD1 ILE A 6 11.646 -45.117 -8.106 1.00 0.00 C ATOM 0 HA ILE A 6 7.746 -46.792 -8.316 1.00 0.00 H new ATOM 0 HB ILE A 6 10.632 -47.700 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.505 -44.869 -8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.049 -45.640 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.940 -46.569 -10.314 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.797 -47.930 -10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.189 -46.257 -10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.795 -44.138 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.356 -45.827 -7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.804 -45.044 -9.182 1.00 0.00 H new ATOM 119 N GLU A 7 8.824 -49.976 -7.975 1.00 0.00 N ATOM 120 CA GLU A 7 8.579 -51.361 -8.386 1.00 0.00 C ATOM 121 C GLU A 7 7.116 -51.804 -8.213 1.00 0.00 C ATOM 122 O GLU A 7 6.610 -52.403 -9.149 1.00 0.00 O ATOM 123 CB GLU A 7 9.538 -52.336 -7.653 1.00 0.00 C ATOM 124 CG GLU A 7 11.018 -52.187 -8.127 1.00 0.00 C ATOM 125 CD GLU A 7 12.001 -52.997 -7.277 1.00 0.00 C ATOM 126 OE1 GLU A 7 12.028 -54.218 -7.403 1.00 0.00 O ATOM 127 OE2 GLU A 7 12.751 -52.391 -6.510 1.00 0.00 O ATOM 0 H GLU A 7 9.496 -49.892 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 7 8.784 -51.397 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.484 -52.156 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.207 -53.361 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.095 -52.507 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.300 -51.135 -8.096 1.00 0.00 H new ATOM 134 N GLU A 8 6.381 -51.556 -7.119 1.00 0.00 N ATOM 135 CA GLU A 8 4.954 -51.920 -7.036 1.00 0.00 C ATOM 136 C GLU A 8 4.050 -51.178 -8.043 1.00 0.00 C ATOM 137 O GLU A 8 3.128 -51.777 -8.597 1.00 0.00 O ATOM 138 CB GLU A 8 4.430 -51.660 -5.607 1.00 0.00 C ATOM 139 CG GLU A 8 5.086 -52.562 -4.515 1.00 0.00 C ATOM 140 CD GLU A 8 4.856 -52.084 -3.072 1.00 0.00 C ATOM 141 OE1 GLU A 8 4.195 -51.065 -2.840 1.00 0.00 O ATOM 142 OE2 GLU A 8 5.377 -52.746 -2.172 1.00 0.00 O ATOM 0 H GLU A 8 6.748 -51.106 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 8 4.904 -52.978 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.604 -50.615 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.351 -51.817 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.696 -53.575 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.159 -52.614 -4.701 1.00 0.00 H new ATOM 149 N GLU A 9 4.295 -49.885 -8.286 1.00 0.00 N ATOM 150 CA GLU A 9 3.543 -49.096 -9.264 1.00 0.00 C ATOM 151 C GLU A 9 4.025 -49.245 -10.715 1.00 0.00 C ATOM 152 O GLU A 9 3.181 -49.176 -11.610 1.00 0.00 O ATOM 153 CB GLU A 9 3.521 -47.638 -8.758 1.00 0.00 C ATOM 154 CG GLU A 9 2.292 -47.289 -7.842 1.00 0.00 C ATOM 155 CD GLU A 9 1.974 -48.300 -6.737 1.00 0.00 C ATOM 156 OE1 GLU A 9 2.638 -48.300 -5.695 1.00 0.00 O ATOM 157 OE2 GLU A 9 1.027 -49.068 -6.928 1.00 0.00 O ATOM 0 H GLU A 9 5.024 -49.356 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 9 2.526 -49.482 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.439 -47.445 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.521 -46.968 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.472 -46.319 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.411 -47.182 -8.474 1.00 0.00 H new ATOM 164 N ALA A 10 5.319 -49.351 -11.022 1.00 0.00 N ATOM 165 CA ALA A 10 5.814 -49.847 -12.312 1.00 0.00 C ATOM 166 C ALA A 10 6.427 -51.273 -12.357 1.00 0.00 C ATOM 167 O ALA A 10 7.482 -51.463 -12.978 1.00 0.00 O ATOM 168 CB ALA A 10 6.793 -48.750 -12.801 1.00 0.00 C ATOM 0 H ALA A 10 6.064 -49.092 -10.375 1.00 0.00 H new ATOM 0 HA ALA A 10 4.961 -50.005 -12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.212 -49.040 -13.764 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.258 -47.806 -12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.598 -48.631 -12.076 1.00 0.00 H new ATOM 174 N ALA A 11 5.827 -52.312 -11.757 1.00 0.00 N ATOM 175 CA ALA A 11 6.206 -53.733 -11.908 1.00 0.00 C ATOM 176 C ALA A 11 6.169 -54.381 -13.320 1.00 0.00 C ATOM 177 O ALA A 11 6.033 -55.603 -13.430 1.00 0.00 O ATOM 178 CB ALA A 11 5.301 -54.517 -10.912 1.00 0.00 C ATOM 0 H ALA A 11 5.034 -52.185 -11.128 1.00 0.00 H new ATOM 0 HA ALA A 11 7.275 -53.784 -11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.530 -55.581 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.485 -54.163 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.254 -54.356 -11.168 1.00 0.00 H new ATOM 184 N LYS A 12 6.361 -53.597 -14.396 1.00 0.00 N ATOM 185 CA LYS A 12 6.256 -54.013 -15.808 1.00 0.00 C ATOM 186 C LYS A 12 4.945 -54.770 -16.137 1.00 0.00 C ATOM 187 O LYS A 12 4.903 -55.745 -16.891 1.00 0.00 O ATOM 188 CB LYS A 12 7.544 -54.795 -16.242 1.00 0.00 C ATOM 189 CG LYS A 12 8.789 -53.953 -16.660 1.00 0.00 C ATOM 190 CD LYS A 12 9.348 -52.975 -15.593 1.00 0.00 C ATOM 191 CE LYS A 12 9.036 -51.515 -15.934 1.00 0.00 C ATOM 192 NZ LYS A 12 9.208 -50.705 -14.731 1.00 0.00 N ATOM 0 H LYS A 12 6.605 -52.611 -14.302 1.00 0.00 H new ATOM 0 HA LYS A 12 6.196 -53.106 -16.409 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.838 -55.444 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.279 -55.442 -17.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.586 -54.640 -16.946 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.530 -53.378 -17.549 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.923 -53.219 -14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.427 -53.106 -15.511 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.698 -51.162 -16.725 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.016 -51.424 -16.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.302 -49.704 -14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.381 -50.823 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.064 -51.011 -14.226 1.00 0.00 H new ATOM 206 N TYR A 13 3.835 -54.247 -15.600 1.00 0.00 N ATOM 207 CA TYR A 13 2.593 -54.976 -15.452 1.00 0.00 C ATOM 208 C TYR A 13 1.409 -54.233 -16.124 1.00 0.00 C ATOM 209 O TYR A 13 1.591 -53.410 -17.028 1.00 0.00 O ATOM 210 CB TYR A 13 2.462 -55.232 -13.903 1.00 0.00 C ATOM 211 CG TYR A 13 1.996 -54.033 -13.039 1.00 0.00 C ATOM 212 CD1 TYR A 13 2.573 -52.762 -13.044 1.00 0.00 C ATOM 213 CD2 TYR A 13 0.912 -54.215 -12.188 1.00 0.00 C ATOM 214 CE1 TYR A 13 2.057 -51.759 -12.260 1.00 0.00 C ATOM 215 CE2 TYR A 13 0.413 -53.204 -11.389 1.00 0.00 C ATOM 216 CZ TYR A 13 0.990 -51.965 -11.429 1.00 0.00 C ATOM 217 OH TYR A 13 0.532 -50.938 -10.659 1.00 0.00 O ATOM 0 H TYR A 13 3.786 -53.289 -15.254 1.00 0.00 H new ATOM 0 HA TYR A 13 2.580 -55.933 -15.974 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.762 -56.054 -13.751 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.430 -55.565 -13.530 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.432 -52.566 -13.669 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.441 -55.186 -12.150 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.507 -50.778 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.427 -53.391 -10.737 1.00 0.00 H new ATOM 0 HH TYR A 13 0.700 -50.087 -11.115 1.00 0.00 H new ATOM 227 N LYS A 14 0.202 -54.454 -15.609 1.00 0.00 N ATOM 228 CA LYS A 14 -1.081 -54.107 -16.227 1.00 0.00 C ATOM 229 C LYS A 14 -1.346 -52.591 -16.346 1.00 0.00 C ATOM 230 O LYS A 14 -1.727 -52.101 -17.413 1.00 0.00 O ATOM 231 CB LYS A 14 -2.168 -54.801 -15.359 1.00 0.00 C ATOM 232 CG LYS A 14 -3.617 -54.692 -15.887 1.00 0.00 C ATOM 233 CD LYS A 14 -4.603 -55.244 -14.838 1.00 0.00 C ATOM 234 CE LYS A 14 -6.058 -54.933 -15.192 1.00 0.00 C ATOM 235 NZ LYS A 14 -6.841 -55.029 -13.963 1.00 0.00 N ATOM 0 H LYS A 14 0.083 -54.904 -14.701 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.086 -54.450 -17.262 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.913 -55.857 -15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.133 -54.375 -14.356 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.855 -53.652 -16.109 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.716 -55.248 -16.819 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.474 -56.323 -14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.369 -54.818 -13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.142 -53.935 -15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.429 -55.635 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.804 -54.676 -14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.886 -56.022 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.392 -54.457 -13.220 1.00 0.00 H new ATOM 249 N TYR A 15 -1.126 -51.823 -15.270 1.00 0.00 N ATOM 250 CA TYR A 15 -1.534 -50.419 -15.206 1.00 0.00 C ATOM 251 C TYR A 15 -0.534 -49.441 -15.861 1.00 0.00 C ATOM 252 O TYR A 15 0.293 -48.772 -15.228 1.00 0.00 O ATOM 253 CB TYR A 15 -1.881 -50.052 -13.744 1.00 0.00 C ATOM 254 CG TYR A 15 -3.070 -50.880 -13.224 1.00 0.00 C ATOM 255 CD1 TYR A 15 -4.307 -50.850 -13.848 1.00 0.00 C ATOM 256 CD2 TYR A 15 -2.928 -51.736 -12.147 1.00 0.00 C ATOM 257 CE1 TYR A 15 -5.345 -51.657 -13.430 1.00 0.00 C ATOM 258 CE2 TYR A 15 -3.961 -52.547 -11.720 1.00 0.00 C ATOM 259 CZ TYR A 15 -5.169 -52.514 -12.375 1.00 0.00 C ATOM 260 OH TYR A 15 -6.159 -53.395 -12.055 1.00 0.00 O ATOM 0 H TYR A 15 -0.663 -52.158 -14.425 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.430 -50.305 -15.816 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.012 -50.222 -13.109 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.120 -48.990 -13.681 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.462 -50.180 -14.680 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.983 -51.771 -11.625 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.298 -51.613 -13.935 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.820 -53.205 -10.875 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.881 -53.934 -11.285 1.00 0.00 H new ATOM 270 N ALA A 16 -0.674 -49.411 -17.194 1.00 0.00 N ATOM 271 CA ALA A 16 0.082 -48.562 -18.118 1.00 0.00 C ATOM 272 C ALA A 16 0.017 -47.050 -17.825 1.00 0.00 C ATOM 273 O ALA A 16 1.057 -46.391 -17.807 1.00 0.00 O ATOM 274 CB ALA A 16 -0.414 -48.876 -19.544 1.00 0.00 C ATOM 0 H ALA A 16 -1.348 -50.005 -17.676 1.00 0.00 H new ATOM 0 HA ALA A 16 1.138 -48.799 -17.993 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.128 -48.260 -20.262 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.241 -49.929 -19.766 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.480 -48.661 -19.614 1.00 0.00 H new ATOM 280 N MET A 17 -1.176 -46.503 -17.559 1.00 0.00 N ATOM 281 CA MET A 17 -1.375 -45.093 -17.203 1.00 0.00 C ATOM 282 C MET A 17 -0.729 -44.698 -15.858 1.00 0.00 C ATOM 283 O MET A 17 -0.238 -43.577 -15.697 1.00 0.00 O ATOM 284 CB MET A 17 -2.896 -44.761 -17.169 1.00 0.00 C ATOM 285 CG MET A 17 -3.612 -44.652 -18.541 1.00 0.00 C ATOM 286 SD MET A 17 -3.840 -46.205 -19.451 1.00 0.00 S ATOM 287 CE MET A 17 -2.839 -45.888 -20.928 1.00 0.00 C ATOM 0 H MET A 17 -2.044 -47.037 -17.586 1.00 0.00 H new ATOM 0 HA MET A 17 -0.873 -44.510 -17.975 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.400 -45.529 -16.582 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.027 -43.817 -16.640 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.592 -44.201 -18.381 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.044 -43.966 -19.170 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.879 -46.755 -21.588 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.229 -45.015 -21.452 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.806 -45.703 -20.634 1.00 0.00 H new ATOM 297 N LEU A 18 -0.687 -45.638 -14.907 1.00 0.00 N ATOM 298 CA LEU A 18 -0.214 -45.384 -13.547 1.00 0.00 C ATOM 299 C LEU A 18 1.316 -45.521 -13.448 1.00 0.00 C ATOM 300 O LEU A 18 1.970 -44.665 -12.839 1.00 0.00 O ATOM 301 CB LEU A 18 -1.003 -46.276 -12.543 1.00 0.00 C ATOM 302 CG LEU A 18 -2.556 -46.220 -12.726 1.00 0.00 C ATOM 303 CD1 LEU A 18 -3.289 -47.090 -11.705 1.00 0.00 C ATOM 304 CD2 LEU A 18 -3.124 -44.801 -12.618 1.00 0.00 C ATOM 0 H LEU A 18 -0.983 -46.602 -15.063 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.417 -44.349 -13.273 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.672 -47.309 -12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.756 -45.968 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.724 -46.599 -13.734 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.364 -47.019 -11.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.972 -48.127 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.054 -46.745 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.205 -44.831 -12.754 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.893 -44.390 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.679 -44.171 -13.388 1.00 0.00 H new ATOM 316 N LYS A 19 1.931 -46.548 -14.059 1.00 0.00 N ATOM 317 CA LYS A 19 3.370 -46.485 -14.334 1.00 0.00 C ATOM 318 C LYS A 19 3.774 -45.301 -15.247 1.00 0.00 C ATOM 319 O LYS A 19 4.871 -44.774 -15.069 1.00 0.00 O ATOM 320 CB LYS A 19 3.925 -47.822 -14.898 1.00 0.00 C ATOM 321 CG LYS A 19 3.512 -48.203 -16.336 1.00 0.00 C ATOM 322 CD LYS A 19 4.297 -49.404 -16.916 1.00 0.00 C ATOM 323 CE LYS A 19 3.815 -50.797 -16.501 1.00 0.00 C ATOM 324 NZ LYS A 19 2.528 -51.057 -17.133 1.00 0.00 N ATOM 0 H LYS A 19 1.469 -47.405 -14.363 1.00 0.00 H new ATOM 0 HA LYS A 19 3.831 -46.308 -13.362 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.013 -47.780 -14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.612 -48.626 -14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.448 -48.437 -16.348 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.656 -47.340 -16.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.263 -49.341 -18.004 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.342 -49.303 -16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.542 -51.552 -16.800 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.722 -50.856 -15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.271 -52.056 -16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.801 -50.451 -16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.593 -50.850 -18.150 1.00 0.00 H new ATOM 338 N LYS A 20 2.957 -44.839 -16.214 1.00 0.00 N ATOM 339 CA LYS A 20 3.207 -43.565 -16.899 1.00 0.00 C ATOM 340 C LYS A 20 3.156 -42.369 -15.916 1.00 0.00 C ATOM 341 O LYS A 20 3.987 -41.472 -16.074 1.00 0.00 O ATOM 342 CB LYS A 20 2.194 -43.360 -18.056 1.00 0.00 C ATOM 343 CG LYS A 20 2.472 -42.091 -18.909 1.00 0.00 C ATOM 344 CD LYS A 20 1.237 -41.442 -19.585 1.00 0.00 C ATOM 345 CE LYS A 20 0.060 -40.986 -18.686 1.00 0.00 C ATOM 346 NZ LYS A 20 0.518 -40.409 -17.423 1.00 0.00 N ATOM 0 H LYS A 20 2.122 -45.330 -16.534 1.00 0.00 H new ATOM 0 HA LYS A 20 4.213 -43.608 -17.317 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.214 -44.235 -18.705 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.189 -43.295 -17.640 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.946 -41.345 -18.271 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.192 -42.350 -19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.583 -40.573 -20.145 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.844 -42.153 -20.311 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.540 -40.251 -19.222 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.588 -41.838 -18.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.260 -39.880 -16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.826 -41.170 -16.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.315 -39.766 -17.604 1.00 0.00 H new ATOM 360 N CYS A 21 2.237 -42.291 -14.923 1.00 0.00 N ATOM 361 CA CYS A 21 2.350 -41.327 -13.808 1.00 0.00 C ATOM 362 C CYS A 21 3.723 -41.376 -13.100 1.00 0.00 C ATOM 363 O CYS A 21 4.306 -40.311 -12.863 1.00 0.00 O ATOM 364 CB CYS A 21 1.214 -41.504 -12.760 1.00 0.00 C ATOM 365 SG CYS A 21 -0.200 -40.376 -12.902 1.00 0.00 S ATOM 0 H CYS A 21 1.410 -42.886 -14.874 1.00 0.00 H new ATOM 0 HA CYS A 21 2.250 -40.346 -14.272 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.843 -42.527 -12.828 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.645 -41.387 -11.766 1.00 0.00 H new ATOM 370 N CYS A 22 4.256 -42.583 -12.808 1.00 0.00 N ATOM 371 CA CYS A 22 5.669 -42.759 -12.404 1.00 0.00 C ATOM 372 C CYS A 22 6.635 -42.070 -13.357 1.00 0.00 C ATOM 373 O CYS A 22 7.424 -41.224 -12.941 1.00 0.00 O ATOM 374 CB CYS A 22 6.031 -44.234 -12.066 1.00 0.00 C ATOM 375 SG CYS A 22 7.005 -44.441 -10.542 1.00 0.00 S ATOM 0 H CYS A 22 3.726 -43.454 -12.845 1.00 0.00 H new ATOM 0 HA CYS A 22 5.790 -42.236 -11.456 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.110 -44.809 -11.974 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.590 -44.658 -12.900 1.00 0.00 H new ATOM 380 N TYR A 23 6.537 -42.354 -14.640 1.00 0.00 N ATOM 381 CA TYR A 23 7.518 -41.859 -15.590 1.00 0.00 C ATOM 382 C TYR A 23 7.380 -40.352 -15.915 1.00 0.00 C ATOM 383 O TYR A 23 8.394 -39.681 -16.138 1.00 0.00 O ATOM 384 CB TYR A 23 7.515 -42.854 -16.741 1.00 0.00 C ATOM 385 CG TYR A 23 7.761 -44.317 -16.270 1.00 0.00 C ATOM 386 CD1 TYR A 23 8.172 -44.751 -14.986 1.00 0.00 C ATOM 387 CD2 TYR A 23 7.648 -45.281 -17.251 1.00 0.00 C ATOM 388 CE1 TYR A 23 8.504 -46.081 -14.778 1.00 0.00 C ATOM 389 CE2 TYR A 23 7.971 -46.602 -17.032 1.00 0.00 C ATOM 390 CZ TYR A 23 8.410 -47.000 -15.796 1.00 0.00 C ATOM 391 OH TYR A 23 8.766 -48.299 -15.599 1.00 0.00 O ATOM 0 H TYR A 23 5.794 -42.921 -15.049 1.00 0.00 H new ATOM 0 HA TYR A 23 8.527 -41.831 -15.179 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.558 -42.800 -17.260 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.285 -42.574 -17.460 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.227 -44.046 -14.169 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.293 -44.988 -18.228 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.841 -46.399 -13.803 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.879 -47.322 -17.832 1.00 0.00 H new ATOM 0 HH TYR A 23 8.633 -48.804 -16.428 1.00 0.00 H new ATOM 401 N ASP A 24 6.154 -39.800 -15.867 1.00 0.00 N ATOM 402 CA ASP A 24 5.915 -38.350 -15.814 1.00 0.00 C ATOM 403 C ASP A 24 6.500 -37.676 -14.555 1.00 0.00 C ATOM 404 O ASP A 24 6.881 -36.506 -14.615 1.00 0.00 O ATOM 405 CB ASP A 24 4.392 -38.032 -15.911 1.00 0.00 C ATOM 406 CG ASP A 24 3.754 -38.434 -17.245 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.380 -38.299 -18.294 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.597 -38.861 -17.222 1.00 0.00 O ATOM 0 H ASP A 24 5.297 -40.353 -15.864 1.00 0.00 H new ATOM 0 HA ASP A 24 6.438 -37.935 -16.676 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.872 -38.545 -15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.244 -36.963 -15.757 1.00 0.00 H new ATOM 413 N GLY A 25 6.530 -38.372 -13.407 1.00 0.00 N ATOM 414 CA GLY A 25 7.293 -37.933 -12.230 1.00 0.00 C ATOM 415 C GLY A 25 8.817 -38.078 -12.372 1.00 0.00 C ATOM 416 O GLY A 25 9.549 -37.156 -12.018 1.00 0.00 O ATOM 0 H GLY A 25 6.029 -39.250 -13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.057 -36.888 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.965 -38.508 -11.364 1.00 0.00 H new ATOM 420 N ALA A 26 9.300 -39.228 -12.867 1.00 0.00 N ATOM 421 CA ALA A 26 10.729 -39.517 -13.052 1.00 0.00 C ATOM 422 C ALA A 26 11.467 -38.588 -14.038 1.00 0.00 C ATOM 423 O ALA A 26 12.640 -38.265 -13.804 1.00 0.00 O ATOM 424 CB ALA A 26 10.898 -40.986 -13.485 1.00 0.00 C ATOM 0 H ALA A 26 8.696 -39.998 -13.155 1.00 0.00 H new ATOM 0 HA ALA A 26 11.197 -39.329 -12.086 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.957 -41.205 -13.623 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.489 -41.641 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.367 -41.152 -14.423 1.00 0.00 H new ATOM 430 N TYR A 27 10.834 -38.151 -15.139 1.00 0.00 N ATOM 431 CA TYR A 27 11.423 -37.152 -16.044 1.00 0.00 C ATOM 432 C TYR A 27 11.418 -35.702 -15.489 1.00 0.00 C ATOM 433 O TYR A 27 10.725 -34.807 -15.983 1.00 0.00 O ATOM 434 CB TYR A 27 10.757 -37.257 -17.447 1.00 0.00 C ATOM 435 CG TYR A 27 11.297 -38.466 -18.228 1.00 0.00 C ATOM 436 CD1 TYR A 27 12.426 -38.360 -19.023 1.00 0.00 C ATOM 437 CD2 TYR A 27 10.679 -39.703 -18.168 1.00 0.00 C ATOM 438 CE1 TYR A 27 12.916 -39.444 -19.726 1.00 0.00 C ATOM 439 CE2 TYR A 27 11.160 -40.792 -18.866 1.00 0.00 C ATOM 440 CZ TYR A 27 12.283 -40.658 -19.646 1.00 0.00 C ATOM 441 OH TYR A 27 12.776 -41.713 -20.344 1.00 0.00 O ATOM 0 H TYR A 27 9.910 -38.476 -15.424 1.00 0.00 H new ATOM 0 HA TYR A 27 12.483 -37.391 -16.135 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.677 -37.346 -17.334 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.944 -36.343 -18.011 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.934 -37.410 -19.095 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.796 -39.819 -17.558 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.798 -39.335 -20.339 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.656 -41.745 -18.799 1.00 0.00 H new ATOM 0 HH TYR A 27 12.218 -42.502 -20.182 1.00 0.00 H new ATOM 451 N ARG A 28 12.212 -35.496 -14.421 1.00 0.00 N ATOM 452 CA ARG A 28 12.566 -34.201 -13.811 1.00 0.00 C ATOM 453 C ARG A 28 11.399 -33.391 -13.196 1.00 0.00 C ATOM 454 O ARG A 28 11.468 -33.066 -12.011 1.00 0.00 O ATOM 455 CB ARG A 28 13.456 -33.377 -14.806 1.00 0.00 C ATOM 456 CG ARG A 28 14.274 -32.206 -14.186 1.00 0.00 C ATOM 457 CD ARG A 28 13.583 -30.842 -14.237 1.00 0.00 C ATOM 458 NE ARG A 28 14.391 -29.882 -13.490 1.00 0.00 N ATOM 459 CZ ARG A 28 13.922 -28.936 -12.724 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.690 -28.750 -12.423 1.00 0.00 N ATOM 461 NH2 ARG A 28 14.749 -28.129 -12.194 1.00 0.00 N ATOM 0 H ARG A 28 12.650 -36.277 -13.932 1.00 0.00 H new ATOM 0 HA ARG A 28 13.150 -34.434 -12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.151 -34.062 -15.292 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.812 -32.970 -15.586 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.495 -32.447 -13.146 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.229 -32.133 -14.706 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.467 -30.515 -15.270 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.583 -30.908 -13.809 1.00 0.00 H new ATOM 0 HE ARG A 28 15.405 -29.957 -13.574 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.974 -29.375 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.425 -27.977 -11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.748 -28.232 -12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.414 -27.379 -11.590 1.00 0.00 H new ATOM 475 N ASN A 29 10.344 -33.099 -13.981 1.00 0.00 N ATOM 476 CA ASN A 29 9.215 -32.204 -13.670 1.00 0.00 C ATOM 477 C ASN A 29 9.574 -30.691 -13.667 1.00 0.00 C ATOM 478 O ASN A 29 10.670 -30.257 -13.306 1.00 0.00 O ATOM 479 CB ASN A 29 8.443 -32.650 -12.379 1.00 0.00 C ATOM 480 CG ASN A 29 7.234 -31.761 -12.084 1.00 0.00 C ATOM 481 OD1 ASN A 29 7.291 -30.864 -11.253 1.00 0.00 O ATOM 482 ND2 ASN A 29 6.126 -31.911 -12.784 1.00 0.00 N ATOM 0 H ASN A 29 10.253 -33.510 -14.910 1.00 0.00 H new ATOM 0 HA ASN A 29 8.526 -32.315 -14.507 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.112 -33.682 -12.496 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.123 -32.628 -11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.336 -31.285 -12.628 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.060 -32.653 -13.481 1.00 0.00 H new ATOM 489 N ASP A 30 8.600 -29.870 -14.084 1.00 0.00 N ATOM 490 CA ASP A 30 8.705 -28.409 -14.156 1.00 0.00 C ATOM 491 C ASP A 30 8.948 -27.681 -12.813 1.00 0.00 C ATOM 492 O ASP A 30 9.480 -26.569 -12.825 1.00 0.00 O ATOM 493 CB ASP A 30 7.420 -27.862 -14.857 1.00 0.00 C ATOM 494 CG ASP A 30 6.126 -28.250 -14.136 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.772 -29.430 -14.142 1.00 0.00 O ATOM 496 OD2 ASP A 30 5.476 -27.369 -13.572 1.00 0.00 O ATOM 0 H ASP A 30 7.691 -30.216 -14.389 1.00 0.00 H new ATOM 0 HA ASP A 30 9.607 -28.194 -14.730 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.482 -26.775 -14.918 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.385 -28.237 -15.880 1.00 0.00 H new ATOM 501 N ASP A 31 8.584 -28.256 -11.658 1.00 0.00 N ATOM 502 CA ASP A 31 8.690 -27.569 -10.375 1.00 0.00 C ATOM 503 C ASP A 31 9.924 -27.995 -9.551 1.00 0.00 C ATOM 504 O ASP A 31 10.339 -29.154 -9.518 1.00 0.00 O ATOM 505 CB ASP A 31 7.402 -27.862 -9.572 1.00 0.00 C ATOM 506 CG ASP A 31 7.093 -26.756 -8.567 1.00 0.00 C ATOM 507 OD1 ASP A 31 7.736 -26.709 -7.517 1.00 0.00 O ATOM 508 OD2 ASP A 31 6.209 -25.954 -8.865 1.00 0.00 O ATOM 0 H ASP A 31 8.211 -29.203 -11.593 1.00 0.00 H new ATOM 0 HA ASP A 31 8.811 -26.504 -10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.563 -27.973 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.510 -28.810 -9.046 1.00 0.00 H new ATOM 513 N GLU A 32 10.472 -26.997 -8.852 1.00 0.00 N ATOM 514 CA GLU A 32 11.554 -27.174 -7.883 1.00 0.00 C ATOM 515 C GLU A 32 11.145 -27.917 -6.590 1.00 0.00 C ATOM 516 O GLU A 32 12.030 -28.347 -5.844 1.00 0.00 O ATOM 517 CB GLU A 32 12.186 -25.788 -7.568 1.00 0.00 C ATOM 518 CG GLU A 32 12.742 -25.017 -8.816 1.00 0.00 C ATOM 519 CD GLU A 32 13.821 -25.779 -9.592 1.00 0.00 C ATOM 520 OE1 GLU A 32 14.981 -25.739 -9.195 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.494 -26.395 -10.609 1.00 0.00 O ATOM 0 H GLU A 32 10.170 -26.027 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 32 12.291 -27.829 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.436 -25.166 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.998 -25.929 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.915 -24.793 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.152 -24.062 -8.487 1.00 0.00 H new ATOM 528 N THR A 33 9.857 -28.060 -6.226 1.00 0.00 N ATOM 529 CA THR A 33 9.430 -29.005 -5.182 1.00 0.00 C ATOM 530 C THR A 33 8.080 -29.637 -5.575 1.00 0.00 C ATOM 531 O THR A 33 6.990 -29.206 -5.184 1.00 0.00 O ATOM 532 CB THR A 33 9.418 -28.355 -3.762 1.00 0.00 C ATOM 533 OG1 THR A 33 10.716 -27.881 -3.437 1.00 0.00 O ATOM 534 CG2 THR A 33 9.164 -29.340 -2.626 1.00 0.00 C ATOM 0 H THR A 33 9.092 -27.529 -6.643 1.00 0.00 H new ATOM 0 HA THR A 33 10.164 -29.808 -5.114 1.00 0.00 H new ATOM 0 HB THR A 33 8.635 -27.600 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.333 -28.088 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.172 -28.808 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.194 -29.816 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.945 -30.101 -2.623 1.00 0.00 H new ATOM 542 N CYS A 34 8.190 -30.697 -6.391 1.00 0.00 N ATOM 543 CA CYS A 34 7.057 -31.427 -6.971 1.00 0.00 C ATOM 544 C CYS A 34 6.118 -32.092 -5.943 1.00 0.00 C ATOM 545 O CYS A 34 4.965 -32.374 -6.262 1.00 0.00 O ATOM 546 CB CYS A 34 7.576 -32.471 -7.996 1.00 0.00 C ATOM 547 SG CYS A 34 8.614 -33.779 -7.289 1.00 0.00 S ATOM 0 H CYS A 34 9.094 -31.078 -6.671 1.00 0.00 H new ATOM 0 HA CYS A 34 6.441 -30.677 -7.467 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.720 -32.932 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.145 -31.951 -8.766 1.00 0.00 H new ATOM 552 N GLU A 35 6.592 -32.333 -4.715 1.00 0.00 N ATOM 553 CA GLU A 35 5.799 -32.843 -3.594 1.00 0.00 C ATOM 554 C GLU A 35 4.691 -31.865 -3.135 1.00 0.00 C ATOM 555 O GLU A 35 3.627 -32.306 -2.698 1.00 0.00 O ATOM 556 CB GLU A 35 6.754 -33.198 -2.411 1.00 0.00 C ATOM 557 CG GLU A 35 7.880 -34.257 -2.737 1.00 0.00 C ATOM 558 CD GLU A 35 9.174 -33.715 -3.380 1.00 0.00 C ATOM 559 OE1 GLU A 35 9.196 -32.604 -3.916 1.00 0.00 O ATOM 560 OE2 GLU A 35 10.176 -34.426 -3.346 1.00 0.00 O ATOM 0 H GLU A 35 7.569 -32.173 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 35 5.280 -33.738 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.232 -32.281 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.153 -33.576 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.147 -34.766 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.458 -35.009 -3.404 1.00 0.00 H new ATOM 567 N GLU A 36 4.914 -30.544 -3.247 1.00 0.00 N ATOM 568 CA GLU A 36 3.886 -29.513 -3.025 1.00 0.00 C ATOM 569 C GLU A 36 2.769 -29.572 -4.090 1.00 0.00 C ATOM 570 O GLU A 36 1.559 -29.600 -3.815 1.00 0.00 O ATOM 571 CB GLU A 36 4.574 -28.117 -3.045 1.00 0.00 C ATOM 572 CG GLU A 36 5.383 -27.825 -1.749 1.00 0.00 C ATOM 573 CD GLU A 36 6.020 -26.434 -1.772 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.976 -26.234 -2.519 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.554 -25.573 -1.032 1.00 0.00 O ATOM 0 H GLU A 36 5.824 -30.158 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 36 3.414 -29.693 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.241 -28.058 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.816 -27.345 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.725 -27.908 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.162 -28.578 -1.630 1.00 0.00 H new ATOM 582 N ARG A 37 3.236 -29.633 -5.340 1.00 0.00 N ATOM 583 CA ARG A 37 2.379 -29.846 -6.497 1.00 0.00 C ATOM 584 C ARG A 37 1.642 -31.188 -6.413 1.00 0.00 C ATOM 585 O ARG A 37 0.454 -31.200 -6.711 1.00 0.00 O ATOM 586 CB ARG A 37 3.220 -29.756 -7.785 1.00 0.00 C ATOM 587 CG ARG A 37 3.824 -28.357 -8.023 1.00 0.00 C ATOM 588 CD ARG A 37 2.866 -27.318 -8.642 1.00 0.00 C ATOM 589 NE ARG A 37 2.587 -27.695 -10.030 1.00 0.00 N ATOM 590 CZ ARG A 37 3.370 -27.474 -11.051 1.00 0.00 C ATOM 591 NH1 ARG A 37 4.459 -26.801 -11.036 1.00 0.00 N ATOM 592 NH2 ARG A 37 3.052 -27.959 -12.184 1.00 0.00 N ATOM 0 H ARG A 37 4.224 -29.535 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 37 1.618 -29.066 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.026 -30.488 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.596 -30.025 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.186 -27.970 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.691 -28.461 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.939 -27.273 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.313 -26.324 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 37 1.704 -28.172 -10.215 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.786 -26.379 -10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.000 -26.687 -11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.199 -28.509 -12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.651 -27.798 -12.994 1.00 0.00 H new ATOM 606 N ALA A 38 2.264 -32.320 -6.056 1.00 0.00 N ATOM 607 CA ALA A 38 1.560 -33.577 -5.800 1.00 0.00 C ATOM 608 C ALA A 38 0.899 -33.732 -4.411 1.00 0.00 C ATOM 609 O ALA A 38 0.387 -34.809 -4.078 1.00 0.00 O ATOM 610 CB ALA A 38 2.487 -34.728 -6.200 1.00 0.00 C ATOM 0 H ALA A 38 3.275 -32.386 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 38 0.668 -33.586 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.986 -35.679 -6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.735 -34.644 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.401 -34.681 -5.608 1.00 0.00 H new ATOM 616 N ALA A 39 0.928 -32.723 -3.536 1.00 0.00 N ATOM 617 CA ALA A 39 -0.189 -32.477 -2.621 1.00 0.00 C ATOM 618 C ALA A 39 -1.444 -31.967 -3.368 1.00 0.00 C ATOM 619 O ALA A 39 -2.565 -32.327 -2.995 1.00 0.00 O ATOM 620 CB ALA A 39 0.255 -31.502 -1.514 1.00 0.00 C ATOM 0 H ALA A 39 1.705 -32.069 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.474 -33.422 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.577 -31.320 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.088 -31.935 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.569 -30.560 -1.963 1.00 0.00 H new ATOM 626 N ARG A 40 -1.280 -31.123 -4.402 1.00 0.00 N ATOM 627 CA ARG A 40 -2.391 -30.725 -5.292 1.00 0.00 C ATOM 628 C ARG A 40 -2.790 -31.735 -6.409 1.00 0.00 C ATOM 629 O ARG A 40 -3.984 -31.819 -6.698 1.00 0.00 O ATOM 630 CB ARG A 40 -2.092 -29.334 -5.907 1.00 0.00 C ATOM 631 CG ARG A 40 -1.995 -28.208 -4.849 1.00 0.00 C ATOM 632 CD ARG A 40 -1.771 -26.823 -5.472 1.00 0.00 C ATOM 633 NE ARG A 40 -2.974 -26.441 -6.212 1.00 0.00 N ATOM 634 CZ ARG A 40 -3.142 -25.343 -6.894 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.268 -24.413 -6.991 1.00 0.00 N ATOM 636 NH2 ARG A 40 -4.250 -25.180 -7.501 1.00 0.00 N ATOM 0 H ARG A 40 -0.384 -30.700 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.266 -30.699 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.156 -29.383 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.875 -29.085 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.911 -28.191 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.177 -28.429 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.557 -26.089 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.908 -26.843 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.755 -27.096 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.370 -24.505 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.469 -23.580 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.973 -25.897 -7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.414 -24.332 -8.044 1.00 0.00 H new ATOM 650 N ILE A 41 -1.886 -32.437 -7.127 1.00 0.00 N ATOM 651 CA ILE A 41 -2.167 -33.581 -8.010 1.00 0.00 C ATOM 652 C ILE A 41 -3.001 -34.706 -7.353 1.00 0.00 C ATOM 653 O ILE A 41 -2.585 -35.571 -6.588 1.00 0.00 O ATOM 654 CB ILE A 41 -0.902 -34.104 -8.792 1.00 0.00 C ATOM 655 CG1 ILE A 41 -0.459 -33.125 -9.913 1.00 0.00 C ATOM 656 CG2 ILE A 41 -1.085 -35.422 -9.506 1.00 0.00 C ATOM 657 CD1 ILE A 41 0.764 -32.368 -9.518 1.00 0.00 C ATOM 0 H ILE A 41 -0.893 -32.207 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.826 -33.172 -8.776 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.170 -34.207 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.265 -33.682 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.268 -32.427 -10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.159 -35.693 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.343 -36.195 -8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.886 -35.330 -10.240 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.049 -31.691 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.560 -31.792 -8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.578 -33.067 -9.326 1.00 0.00 H new ATOM 669 N LYS A 42 -4.268 -34.534 -7.701 1.00 0.00 N ATOM 670 CA LYS A 42 -5.409 -35.363 -7.300 1.00 0.00 C ATOM 671 C LYS A 42 -6.017 -36.210 -8.446 1.00 0.00 C ATOM 672 O LYS A 42 -7.236 -36.390 -8.513 1.00 0.00 O ATOM 673 CB LYS A 42 -6.469 -34.422 -6.632 1.00 0.00 C ATOM 674 CG LYS A 42 -6.599 -34.535 -5.090 1.00 0.00 C ATOM 675 CD LYS A 42 -5.306 -34.206 -4.316 1.00 0.00 C ATOM 676 CE LYS A 42 -5.548 -34.115 -2.814 1.00 0.00 C ATOM 677 NZ LYS A 42 -4.243 -34.038 -2.171 1.00 0.00 N ATOM 0 H LYS A 42 -4.550 -33.765 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.057 -36.112 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.219 -33.391 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.443 -34.631 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.390 -33.864 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.912 -35.548 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.558 -34.973 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.898 -33.261 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.148 -33.237 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.101 -34.985 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.359 -33.723 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.794 -34.976 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.643 -33.360 -2.683 1.00 0.00 H new ATOM 691 N ILE A 43 -5.194 -36.742 -9.363 1.00 0.00 N ATOM 692 CA ILE A 43 -5.662 -37.554 -10.503 1.00 0.00 C ATOM 693 C ILE A 43 -6.235 -38.924 -10.071 1.00 0.00 C ATOM 694 O ILE A 43 -7.325 -39.306 -10.503 1.00 0.00 O ATOM 695 CB ILE A 43 -4.525 -37.674 -11.585 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.189 -36.265 -12.163 1.00 0.00 C ATOM 697 CG2 ILE A 43 -4.912 -38.633 -12.747 1.00 0.00 C ATOM 698 CD1 ILE A 43 -2.898 -36.200 -13.013 1.00 0.00 C ATOM 0 H ILE A 43 -4.181 -36.622 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.504 -37.036 -10.962 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.651 -38.094 -11.087 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.027 -35.930 -12.775 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.098 -35.561 -11.336 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.095 -38.681 -13.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.104 -39.629 -12.348 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.809 -38.262 -13.242 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.749 -35.181 -13.371 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.045 -36.499 -12.403 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.989 -36.874 -13.865 1.00 0.00 H new ATOM 710 N GLY A 44 -5.524 -39.670 -9.216 1.00 0.00 N ATOM 711 CA GLY A 44 -6.002 -40.952 -8.677 1.00 0.00 C ATOM 712 C GLY A 44 -5.030 -41.583 -7.659 1.00 0.00 C ATOM 713 O GLY A 44 -3.833 -41.369 -7.849 1.00 0.00 O ATOM 0 H GLY A 44 -4.600 -39.402 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.970 -40.800 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.159 -41.649 -9.500 1.00 0.00 H new ATOM 717 N PRO A 45 -5.424 -42.365 -6.618 1.00 0.00 N ATOM 718 CA PRO A 45 -4.542 -42.858 -5.532 1.00 0.00 C ATOM 719 C PRO A 45 -3.202 -43.504 -5.949 1.00 0.00 C ATOM 720 O PRO A 45 -2.139 -43.025 -5.540 1.00 0.00 O ATOM 721 CB PRO A 45 -5.432 -43.863 -4.777 1.00 0.00 C ATOM 722 CG PRO A 45 -6.806 -43.253 -4.938 1.00 0.00 C ATOM 723 CD PRO A 45 -6.804 -42.818 -6.401 1.00 0.00 C ATOM 0 HA PRO A 45 -4.191 -42.010 -4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.376 -44.862 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.146 -43.953 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.597 -43.974 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.957 -42.410 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.066 -43.641 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.523 -42.019 -6.584 1.00 0.00 H new ATOM 731 N LYS A 46 -3.235 -44.562 -6.775 1.00 0.00 N ATOM 732 CA LYS A 46 -2.031 -45.176 -7.344 1.00 0.00 C ATOM 733 C LYS A 46 -1.267 -44.262 -8.324 1.00 0.00 C ATOM 734 O LYS A 46 -0.048 -44.418 -8.432 1.00 0.00 O ATOM 735 CB LYS A 46 -2.367 -46.540 -7.999 1.00 0.00 C ATOM 736 CG LYS A 46 -2.260 -47.756 -7.044 1.00 0.00 C ATOM 737 CD LYS A 46 -2.742 -49.089 -7.681 1.00 0.00 C ATOM 738 CE LYS A 46 -1.956 -49.608 -8.905 1.00 0.00 C ATOM 739 NZ LYS A 46 -0.726 -50.298 -8.516 1.00 0.00 N ATOM 0 H LYS A 46 -4.101 -45.015 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.353 -45.340 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.380 -46.497 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.697 -46.698 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.223 -47.868 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.848 -47.557 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.717 -49.860 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.784 -48.966 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.586 -50.287 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.711 -48.771 -9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.081 -50.344 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.267 -49.779 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.954 -51.262 -8.200 1.00 0.00 H new ATOM 753 N CYS A 47 -1.932 -43.307 -9.007 1.00 0.00 N ATOM 754 CA CYS A 47 -1.254 -42.310 -9.844 1.00 0.00 C ATOM 755 C CYS A 47 -0.427 -41.366 -8.957 1.00 0.00 C ATOM 756 O CYS A 47 0.768 -41.260 -9.222 1.00 0.00 O ATOM 757 CB CYS A 47 -2.220 -41.486 -10.755 1.00 0.00 C ATOM 758 SG CYS A 47 -1.831 -41.511 -12.531 1.00 0.00 S ATOM 0 H CYS A 47 -2.947 -43.210 -8.991 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.604 -42.864 -10.521 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.233 -41.865 -10.617 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.218 -40.450 -10.415 1.00 0.00 H new ATOM 763 N VAL A 48 -0.988 -40.701 -7.922 1.00 0.00 N ATOM 764 CA VAL A 48 -0.207 -39.945 -6.941 1.00 0.00 C ATOM 765 C VAL A 48 0.922 -40.741 -6.287 1.00 0.00 C ATOM 766 O VAL A 48 2.017 -40.198 -6.193 1.00 0.00 O ATOM 767 CB VAL A 48 -1.029 -39.292 -5.782 1.00 0.00 C ATOM 768 CG1 VAL A 48 -0.601 -37.846 -5.700 1.00 0.00 C ATOM 769 CG2 VAL A 48 -2.547 -39.311 -5.900 1.00 0.00 C ATOM 0 H VAL A 48 -1.993 -40.679 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 48 0.200 -39.158 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.813 -39.899 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.151 -37.348 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.468 -37.794 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.810 -37.350 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.986 -38.825 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.848 -38.779 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.895 -40.343 -5.954 1.00 0.00 H new ATOM 779 N LYS A 49 0.687 -41.978 -5.820 1.00 0.00 N ATOM 780 CA LYS A 49 1.771 -42.828 -5.294 1.00 0.00 C ATOM 781 C LYS A 49 2.929 -43.025 -6.294 1.00 0.00 C ATOM 782 O LYS A 49 4.074 -42.706 -5.961 1.00 0.00 O ATOM 783 CB LYS A 49 1.237 -44.201 -4.814 1.00 0.00 C ATOM 784 CG LYS A 49 0.305 -44.103 -3.592 1.00 0.00 C ATOM 785 CD LYS A 49 -0.245 -45.488 -3.209 1.00 0.00 C ATOM 786 CE LYS A 49 -1.197 -45.396 -2.023 1.00 0.00 C ATOM 787 NZ LYS A 49 -1.663 -46.743 -1.730 1.00 0.00 N ATOM 0 H LYS A 49 -0.236 -42.411 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 49 2.176 -42.289 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.700 -44.680 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.081 -44.844 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.848 -43.677 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.521 -43.427 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.764 -45.924 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.582 -46.155 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.691 -44.969 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.037 -44.742 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.317 -46.716 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.155 -47.129 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.850 -47.348 -1.497 1.00 0.00 H new ATOM 801 N ALA A 50 2.632 -43.471 -7.527 1.00 0.00 N ATOM 802 CA ALA A 50 3.622 -43.589 -8.603 1.00 0.00 C ATOM 803 C ALA A 50 4.309 -42.240 -8.897 1.00 0.00 C ATOM 804 O ALA A 50 5.527 -42.126 -8.753 1.00 0.00 O ATOM 805 CB ALA A 50 2.872 -44.110 -9.853 1.00 0.00 C ATOM 0 H ALA A 50 1.693 -43.760 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 50 4.415 -44.276 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.573 -44.213 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.426 -45.080 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.088 -43.404 -10.127 1.00 0.00 H new ATOM 811 N PHE A 51 3.513 -41.206 -9.209 1.00 0.00 N ATOM 812 CA PHE A 51 3.991 -39.868 -9.550 1.00 0.00 C ATOM 813 C PHE A 51 4.820 -39.213 -8.440 1.00 0.00 C ATOM 814 O PHE A 51 5.953 -38.811 -8.711 1.00 0.00 O ATOM 815 CB PHE A 51 2.755 -39.006 -9.868 1.00 0.00 C ATOM 816 CG PHE A 51 3.114 -37.630 -10.424 1.00 0.00 C ATOM 817 CD1 PHE A 51 3.505 -37.492 -11.745 1.00 0.00 C ATOM 818 CD2 PHE A 51 2.805 -36.485 -9.717 1.00 0.00 C ATOM 819 CE1 PHE A 51 3.580 -36.263 -12.362 1.00 0.00 C ATOM 820 CE2 PHE A 51 2.853 -35.263 -10.340 1.00 0.00 C ATOM 821 CZ PHE A 51 3.245 -35.135 -11.653 1.00 0.00 C ATOM 0 H PHE A 51 2.496 -41.284 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 51 4.661 -39.949 -10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.129 -39.531 -10.589 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.162 -38.882 -8.962 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.759 -38.377 -12.310 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.526 -36.551 -8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.898 -36.187 -13.391 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.576 -34.379 -9.785 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.289 -34.162 -12.119 1.00 0.00 H new ATOM 831 N LYS A 52 4.287 -39.139 -7.207 1.00 0.00 N ATOM 832 CA LYS A 52 4.978 -38.486 -6.102 1.00 0.00 C ATOM 833 C LYS A 52 6.265 -39.255 -5.724 1.00 0.00 C ATOM 834 O LYS A 52 7.307 -38.621 -5.536 1.00 0.00 O ATOM 835 CB LYS A 52 4.059 -38.308 -4.857 1.00 0.00 C ATOM 836 CG LYS A 52 4.748 -37.649 -3.626 1.00 0.00 C ATOM 837 CD LYS A 52 3.875 -37.486 -2.353 1.00 0.00 C ATOM 838 CE LYS A 52 2.890 -36.312 -2.393 1.00 0.00 C ATOM 839 NZ LYS A 52 1.630 -36.747 -2.983 1.00 0.00 N ATOM 0 H LYS A 52 3.377 -39.527 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 52 5.256 -37.489 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.199 -37.702 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.677 -39.285 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.624 -38.243 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.108 -36.664 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.314 -38.407 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.532 -37.361 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.719 -35.934 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.311 -35.492 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.357 -36.091 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.743 -37.703 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.890 -36.758 -2.252 1.00 0.00 H new ATOM 853 N ASP A 53 6.237 -40.607 -5.634 1.00 0.00 N ATOM 854 CA ASP A 53 7.430 -41.360 -5.234 1.00 0.00 C ATOM 855 C ASP A 53 8.525 -41.365 -6.314 1.00 0.00 C ATOM 856 O ASP A 53 9.687 -41.136 -5.970 1.00 0.00 O ATOM 857 CB ASP A 53 7.068 -42.780 -4.727 1.00 0.00 C ATOM 858 CG ASP A 53 6.411 -42.716 -3.346 1.00 0.00 C ATOM 859 OD1 ASP A 53 7.034 -42.202 -2.420 1.00 0.00 O ATOM 860 OD2 ASP A 53 5.295 -43.207 -3.199 1.00 0.00 O ATOM 0 H ASP A 53 5.416 -41.180 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 53 7.868 -40.830 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.392 -43.261 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.968 -43.393 -4.678 1.00 0.00 H new ATOM 865 N CYS A 54 8.189 -41.570 -7.598 1.00 0.00 N ATOM 866 CA CYS A 54 9.118 -41.313 -8.702 1.00 0.00 C ATOM 867 C CYS A 54 9.634 -39.854 -8.753 1.00 0.00 C ATOM 868 O CYS A 54 10.835 -39.682 -8.975 1.00 0.00 O ATOM 869 CB CYS A 54 8.462 -41.704 -10.045 1.00 0.00 C ATOM 870 SG CYS A 54 8.735 -43.393 -10.658 1.00 0.00 S ATOM 0 H CYS A 54 7.276 -41.915 -7.894 1.00 0.00 H new ATOM 0 HA CYS A 54 9.995 -41.934 -8.522 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.387 -41.551 -9.950 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.817 -41.009 -10.806 1.00 0.00 H new ATOM 875 N CYS A 55 8.810 -38.806 -8.539 1.00 0.00 N ATOM 876 CA CYS A 55 9.283 -37.410 -8.501 1.00 0.00 C ATOM 877 C CYS A 55 10.210 -37.103 -7.300 1.00 0.00 C ATOM 878 O CYS A 55 11.207 -36.393 -7.461 1.00 0.00 O ATOM 879 CB CYS A 55 8.100 -36.396 -8.673 1.00 0.00 C ATOM 880 SG CYS A 55 7.507 -35.468 -7.230 1.00 0.00 S ATOM 0 H CYS A 55 7.806 -38.905 -8.389 1.00 0.00 H new ATOM 0 HA CYS A 55 9.929 -37.272 -9.368 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.399 -35.670 -9.429 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.252 -36.948 -9.078 1.00 0.00 H new ATOM 885 N TYR A 56 9.917 -37.645 -6.107 1.00 0.00 N ATOM 886 CA TYR A 56 10.822 -37.599 -4.954 1.00 0.00 C ATOM 887 C TYR A 56 12.187 -38.272 -5.234 1.00 0.00 C ATOM 888 O TYR A 56 13.231 -37.708 -4.889 1.00 0.00 O ATOM 889 CB TYR A 56 10.076 -38.232 -3.744 1.00 0.00 C ATOM 890 CG TYR A 56 10.907 -38.247 -2.450 1.00 0.00 C ATOM 891 CD1 TYR A 56 11.401 -37.085 -1.878 1.00 0.00 C ATOM 892 CD2 TYR A 56 11.204 -39.441 -1.816 1.00 0.00 C ATOM 893 CE1 TYR A 56 12.167 -37.118 -0.730 1.00 0.00 C ATOM 894 CE2 TYR A 56 11.969 -39.484 -0.667 1.00 0.00 C ATOM 895 CZ TYR A 56 12.453 -38.317 -0.127 1.00 0.00 C ATOM 896 OH TYR A 56 13.219 -38.339 0.993 1.00 0.00 O ATOM 0 H TYR A 56 9.040 -38.130 -5.917 1.00 0.00 H new ATOM 0 HA TYR A 56 11.076 -36.563 -4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.153 -37.680 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.793 -39.254 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 56 11.182 -36.134 -2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.827 -40.364 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.542 -36.198 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.186 -40.431 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 56 13.328 -39.264 1.297 1.00 0.00 H new ATOM 906 N ILE A 57 12.208 -39.460 -5.864 1.00 0.00 N ATOM 907 CA ILE A 57 13.467 -40.110 -6.275 1.00 0.00 C ATOM 908 C ILE A 57 14.187 -39.349 -7.404 1.00 0.00 C ATOM 909 O ILE A 57 15.418 -39.274 -7.406 1.00 0.00 O ATOM 910 CB ILE A 57 13.272 -41.633 -6.584 1.00 0.00 C ATOM 911 CG1 ILE A 57 12.491 -42.404 -5.479 1.00 0.00 C ATOM 912 CG2 ILE A 57 14.601 -42.381 -6.856 1.00 0.00 C ATOM 913 CD1 ILE A 57 12.837 -42.032 -4.030 1.00 0.00 C ATOM 0 H ILE A 57 11.369 -39.990 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 57 14.138 -40.060 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 57 12.673 -41.626 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.425 -42.238 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.669 -43.471 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.392 -43.431 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.101 -41.934 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.247 -42.305 -5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.234 -42.630 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.894 -42.227 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.629 -40.975 -3.866 1.00 0.00 H new ATOM 925 N ALA A 58 13.426 -38.758 -8.334 1.00 0.00 N ATOM 926 CA ALA A 58 13.949 -37.807 -9.327 1.00 0.00 C ATOM 927 C ALA A 58 14.685 -36.613 -8.684 1.00 0.00 C ATOM 928 O ALA A 58 15.770 -36.261 -9.150 1.00 0.00 O ATOM 929 CB ALA A 58 12.807 -37.297 -10.218 1.00 0.00 C ATOM 0 H ALA A 58 12.424 -38.926 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 58 14.680 -38.347 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.203 -36.593 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.346 -38.138 -10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.060 -36.797 -9.601 1.00 0.00 H new ATOM 935 N ASN A 59 14.117 -36.001 -7.629 1.00 0.00 N ATOM 936 CA ASN A 59 14.830 -35.024 -6.794 1.00 0.00 C ATOM 937 C ASN A 59 16.094 -35.597 -6.124 1.00 0.00 C ATOM 938 O ASN A 59 17.155 -34.984 -6.242 1.00 0.00 O ATOM 939 CB ASN A 59 13.898 -34.432 -5.700 1.00 0.00 C ATOM 940 CG ASN A 59 12.819 -33.519 -6.279 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.044 -32.720 -7.180 1.00 0.00 O ATOM 942 ND2 ASN A 59 11.605 -33.581 -5.774 1.00 0.00 N ATOM 0 H ASN A 59 13.155 -36.170 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 59 15.147 -34.237 -7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.424 -35.246 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.497 -33.871 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.871 -32.970 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.398 -34.240 -5.023 1.00 0.00 H new ATOM 949 N GLN A 60 15.997 -36.753 -5.443 1.00 0.00 N ATOM 950 CA GLN A 60 17.138 -37.425 -4.805 1.00 0.00 C ATOM 951 C GLN A 60 18.277 -37.755 -5.794 1.00 0.00 C ATOM 952 O GLN A 60 19.425 -37.392 -5.526 1.00 0.00 O ATOM 953 CB GLN A 60 16.616 -38.691 -4.070 1.00 0.00 C ATOM 954 CG GLN A 60 17.678 -39.483 -3.242 1.00 0.00 C ATOM 955 CD GLN A 60 17.936 -40.879 -3.820 1.00 0.00 C ATOM 956 OE1 GLN A 60 17.091 -41.768 -3.765 1.00 0.00 O ATOM 957 NE2 GLN A 60 19.091 -41.165 -4.387 1.00 0.00 N ATOM 0 H GLN A 60 15.115 -37.250 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 60 17.587 -36.741 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.810 -38.393 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.183 -39.365 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.612 -38.922 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.338 -39.575 -2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.818 -40.452 -4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.258 -42.099 -4.761 1.00 0.00 H new ATOM 966 N VAL A 61 17.980 -38.389 -6.942 1.00 0.00 N ATOM 967 CA VAL A 61 18.977 -38.670 -7.985 1.00 0.00 C ATOM 968 C VAL A 61 19.556 -37.389 -8.616 1.00 0.00 C ATOM 969 O VAL A 61 20.782 -37.265 -8.657 1.00 0.00 O ATOM 970 CB VAL A 61 18.398 -39.661 -9.051 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.302 -39.888 -10.286 1.00 0.00 C ATOM 972 CG2 VAL A 61 18.161 -41.048 -8.420 1.00 0.00 C ATOM 0 H VAL A 61 17.043 -38.720 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 61 19.824 -39.161 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 61 17.477 -39.185 -9.387 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.818 -40.588 -10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.466 -38.939 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.260 -40.297 -9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.759 -41.726 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.105 -41.443 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.452 -40.957 -7.597 1.00 0.00 H new ATOM 982 N ARG A 62 18.745 -36.421 -9.077 1.00 0.00 N ATOM 983 CA ARG A 62 19.257 -35.197 -9.709 1.00 0.00 C ATOM 984 C ARG A 62 19.872 -34.156 -8.745 1.00 0.00 C ATOM 985 O ARG A 62 20.502 -33.203 -9.208 1.00 0.00 O ATOM 986 CB ARG A 62 18.188 -34.587 -10.644 1.00 0.00 C ATOM 987 CG ARG A 62 17.927 -35.510 -11.861 1.00 0.00 C ATOM 988 CD ARG A 62 16.910 -34.914 -12.831 1.00 0.00 C ATOM 989 NE ARG A 62 16.673 -35.868 -13.918 1.00 0.00 N ATOM 990 CZ ARG A 62 15.683 -36.714 -14.001 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.866 -36.974 -13.054 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.520 -37.364 -15.083 1.00 0.00 N ATOM 0 H ARG A 62 17.727 -36.465 -9.022 1.00 0.00 H new ATOM 0 HA ARG A 62 20.113 -35.510 -10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.260 -34.435 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.518 -33.607 -10.990 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.865 -35.689 -12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.568 -36.478 -11.510 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.977 -34.696 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.280 -33.970 -13.232 1.00 0.00 H new ATOM 0 HE ARG A 62 17.347 -35.871 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.964 -36.505 -12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.116 -37.650 -13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.157 -37.219 -15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.752 -38.030 -15.167 1.00 0.00 H new ATOM 1006 N ALA A 63 19.695 -34.270 -7.418 1.00 0.00 N ATOM 1007 CA ALA A 63 20.553 -33.577 -6.450 1.00 0.00 C ATOM 1008 C ALA A 63 21.968 -34.188 -6.343 1.00 0.00 C ATOM 1009 O ALA A 63 22.933 -33.475 -6.060 1.00 0.00 O ATOM 1010 CB ALA A 63 19.861 -33.582 -5.073 1.00 0.00 C ATOM 0 H ALA A 63 18.962 -34.838 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 63 20.691 -32.556 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.492 -33.069 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.902 -33.070 -5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 63 19.700 -34.611 -4.751 1.00 0.00 H new ATOM 1016 N GLU A 64 22.100 -35.508 -6.543 1.00 0.00 N ATOM 1017 CA GLU A 64 23.391 -36.202 -6.547 1.00 0.00 C ATOM 1018 C GLU A 64 24.046 -36.238 -7.944 1.00 0.00 C ATOM 1019 O GLU A 64 25.204 -35.851 -8.097 1.00 0.00 O ATOM 1020 CB GLU A 64 23.197 -37.643 -6.007 1.00 0.00 C ATOM 1021 CG GLU A 64 22.670 -37.682 -4.541 1.00 0.00 C ATOM 1022 CD GLU A 64 22.391 -39.107 -4.063 1.00 0.00 C ATOM 1023 OE1 GLU A 64 21.322 -39.636 -4.368 1.00 0.00 O ATOM 1024 OE2 GLU A 64 23.240 -39.668 -3.376 1.00 0.00 O ATOM 0 H GLU A 64 21.306 -36.126 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 64 24.069 -35.644 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.498 -38.175 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.147 -38.175 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.402 -37.217 -3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.756 -37.092 -4.470 1.00 0.00 H new