USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 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 52 LYS NZ :NH3+ -146:sc= 2.62 (180deg=1.05) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= 1.03 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -167:sc= 1.82 (180deg=1.06) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= 1.07 USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0.925 USER MOD Set 3.2: A 23 TYR OH : rot 154:sc= 1.63 USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.07) USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= 1.2 (180deg=1.05) 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+ -167:sc= 0.855 (180deg=0.699) USER MOD Single : A 29 ASN : amide:sc= -0.0559 K(o=-0.056,f=-0.91) USER MOD Single : A 33 THR OG1 : rot 155:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= 1.16 (180deg=1.11) USER MOD Single : A 59 ASN : amide:sc= 0.997 K(o=1,f=-4.9!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 16.966 -44.705 -6.158 1.00 0.00 N ATOM 101 CA ILE A 6 16.560 -44.948 -7.563 1.00 0.00 C ATOM 102 C ILE A 6 16.868 -46.406 -7.942 1.00 0.00 C ATOM 103 O ILE A 6 15.966 -47.105 -8.399 1.00 0.00 O ATOM 104 CB ILE A 6 17.165 -43.997 -8.660 1.00 0.00 C ATOM 105 CG1 ILE A 6 16.886 -42.505 -8.394 1.00 0.00 C ATOM 106 CG2 ILE A 6 16.671 -44.326 -10.117 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.071 -41.809 -7.723 1.00 0.00 C ATOM 0 HA ILE A 6 15.493 -44.725 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 6 18.236 -44.185 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.659 -42.006 -9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.004 -42.409 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.128 -43.631 -10.822 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.956 -45.346 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.586 -44.229 -10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.829 -40.760 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.282 -42.290 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.947 -41.881 -8.367 1.00 0.00 H new ATOM 119 N GLU A 7 18.102 -46.881 -7.700 1.00 0.00 N ATOM 120 CA GLU A 7 18.473 -48.276 -7.943 1.00 0.00 C ATOM 121 C GLU A 7 17.654 -49.300 -7.134 1.00 0.00 C ATOM 122 O GLU A 7 17.458 -50.383 -7.666 1.00 0.00 O ATOM 123 CB GLU A 7 20.004 -48.502 -7.780 1.00 0.00 C ATOM 124 CG GLU A 7 20.851 -48.184 -9.061 1.00 0.00 C ATOM 125 CD GLU A 7 21.027 -46.695 -9.378 1.00 0.00 C ATOM 126 OE1 GLU A 7 20.168 -46.118 -10.042 1.00 0.00 O ATOM 127 OE2 GLU A 7 22.056 -46.142 -8.993 1.00 0.00 O ATOM 0 H GLU A 7 18.862 -46.309 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 7 18.213 -48.463 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.364 -47.882 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.176 -49.540 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.838 -48.633 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.380 -48.667 -9.917 1.00 0.00 H new ATOM 134 N GLU A 8 17.166 -49.062 -5.904 1.00 0.00 N ATOM 135 CA GLU A 8 16.171 -49.931 -5.252 1.00 0.00 C ATOM 136 C GLU A 8 14.792 -49.933 -5.940 1.00 0.00 C ATOM 137 O GLU A 8 14.354 -50.998 -6.377 1.00 0.00 O ATOM 138 CB GLU A 8 16.003 -49.544 -3.760 1.00 0.00 C ATOM 139 CG GLU A 8 17.223 -49.935 -2.868 1.00 0.00 C ATOM 140 CD GLU A 8 17.251 -49.261 -1.486 1.00 0.00 C ATOM 141 OE1 GLU A 8 16.237 -48.736 -1.009 1.00 0.00 O ATOM 142 OE2 GLU A 8 18.324 -49.258 -0.880 1.00 0.00 O ATOM 0 H GLU A 8 17.449 -48.264 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 8 16.567 -50.943 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.842 -48.468 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.108 -50.027 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.223 -51.016 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.140 -49.682 -3.399 1.00 0.00 H new ATOM 149 N GLU A 9 14.104 -48.786 -6.074 1.00 0.00 N ATOM 150 CA GLU A 9 12.752 -48.725 -6.652 1.00 0.00 C ATOM 151 C GLU A 9 12.723 -49.062 -8.153 1.00 0.00 C ATOM 152 O GLU A 9 11.849 -49.810 -8.590 1.00 0.00 O ATOM 153 CB GLU A 9 12.122 -47.346 -6.337 1.00 0.00 C ATOM 154 CG GLU A 9 11.848 -47.126 -4.808 1.00 0.00 C ATOM 155 CD GLU A 9 10.717 -47.994 -4.245 1.00 0.00 C ATOM 156 OE1 GLU A 9 9.553 -47.683 -4.482 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.005 -48.970 -3.545 1.00 0.00 O ATOM 0 H GLU A 9 14.469 -47.878 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 9 12.145 -49.501 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.786 -46.560 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.185 -47.248 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.762 -47.334 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.604 -46.077 -4.640 1.00 0.00 H new ATOM 164 N ALA A 10 13.641 -48.516 -8.955 1.00 0.00 N ATOM 165 CA ALA A 10 13.903 -49.017 -10.310 1.00 0.00 C ATOM 166 C ALA A 10 14.694 -50.355 -10.421 1.00 0.00 C ATOM 167 O ALA A 10 14.939 -50.782 -11.550 1.00 0.00 O ATOM 168 CB ALA A 10 14.503 -47.861 -11.139 1.00 0.00 C ATOM 0 H ALA A 10 14.220 -47.720 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 10 12.946 -49.326 -10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.707 -48.208 -12.152 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.795 -47.033 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.431 -47.525 -10.676 1.00 0.00 H new ATOM 174 N ALA A 11 15.177 -51.064 -9.381 1.00 0.00 N ATOM 175 CA ALA A 11 15.355 -52.528 -9.458 1.00 0.00 C ATOM 176 C ALA A 11 14.032 -53.295 -9.302 1.00 0.00 C ATOM 177 O ALA A 11 13.770 -54.255 -10.033 1.00 0.00 O ATOM 178 CB ALA A 11 16.359 -53.053 -8.412 1.00 0.00 C ATOM 0 H ALA A 11 15.448 -50.653 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 11 15.751 -52.710 -10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.454 -54.134 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.331 -52.587 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.002 -52.809 -7.411 1.00 0.00 H new ATOM 184 N LYS A 12 13.182 -52.870 -8.357 1.00 0.00 N ATOM 185 CA LYS A 12 11.861 -53.450 -8.086 1.00 0.00 C ATOM 186 C LYS A 12 10.828 -53.214 -9.218 1.00 0.00 C ATOM 187 O LYS A 12 9.706 -52.753 -8.998 1.00 0.00 O ATOM 188 CB LYS A 12 11.364 -52.856 -6.739 1.00 0.00 C ATOM 189 CG LYS A 12 12.087 -53.395 -5.481 1.00 0.00 C ATOM 190 CD LYS A 12 11.887 -52.483 -4.247 1.00 0.00 C ATOM 191 CE LYS A 12 10.452 -52.394 -3.721 1.00 0.00 C ATOM 192 NZ LYS A 12 10.435 -51.360 -2.694 1.00 0.00 N ATOM 0 H LYS A 12 13.403 -52.088 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 12 11.961 -54.534 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.482 -51.773 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.297 -53.058 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.717 -54.395 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.153 -53.489 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.529 -52.843 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.226 -51.478 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.761 -52.148 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.133 -53.351 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.485 -51.303 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.127 -51.594 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.680 -50.444 -3.120 1.00 0.00 H new ATOM 206 N TYR A 13 11.200 -53.610 -10.444 1.00 0.00 N ATOM 207 CA TYR A 13 10.400 -53.466 -11.667 1.00 0.00 C ATOM 208 C TYR A 13 9.008 -54.128 -11.638 1.00 0.00 C ATOM 209 O TYR A 13 8.101 -53.664 -12.335 1.00 0.00 O ATOM 210 CB TYR A 13 11.250 -53.950 -12.885 1.00 0.00 C ATOM 211 CG TYR A 13 11.772 -52.773 -13.732 1.00 0.00 C ATOM 212 CD1 TYR A 13 12.378 -51.658 -13.171 1.00 0.00 C ATOM 213 CD2 TYR A 13 11.626 -52.775 -15.111 1.00 0.00 C ATOM 214 CE1 TYR A 13 12.802 -50.601 -13.947 1.00 0.00 C ATOM 215 CE2 TYR A 13 12.049 -51.716 -15.895 1.00 0.00 C ATOM 216 CZ TYR A 13 12.636 -50.623 -15.304 1.00 0.00 C ATOM 217 OH TYR A 13 13.052 -49.552 -16.034 1.00 0.00 O ATOM 0 H TYR A 13 12.101 -54.056 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 13 10.164 -52.406 -11.758 1.00 0.00 H new ATOM 0 HB2 TYR A 13 12.093 -54.540 -12.526 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.645 -54.606 -13.511 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.521 -51.618 -12.101 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.168 -53.629 -15.588 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.270 -49.747 -13.479 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.918 -51.748 -16.967 1.00 0.00 H new ATOM 0 HH TYR A 13 12.869 -49.712 -16.983 1.00 0.00 H new ATOM 227 N LYS A 14 8.857 -55.184 -10.824 1.00 0.00 N ATOM 228 CA LYS A 14 7.570 -55.777 -10.448 1.00 0.00 C ATOM 229 C LYS A 14 6.618 -54.789 -9.734 1.00 0.00 C ATOM 230 O LYS A 14 5.392 -54.903 -9.877 1.00 0.00 O ATOM 231 CB LYS A 14 7.874 -57.021 -9.558 1.00 0.00 C ATOM 232 CG LYS A 14 6.677 -57.795 -8.921 1.00 0.00 C ATOM 233 CD LYS A 14 5.839 -58.743 -9.831 1.00 0.00 C ATOM 234 CE LYS A 14 4.957 -58.146 -10.945 1.00 0.00 C ATOM 235 NZ LYS A 14 4.089 -57.104 -10.404 1.00 0.00 N ATOM 0 H LYS A 14 9.652 -55.661 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 14 7.036 -56.064 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.442 -57.729 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.527 -56.697 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.068 -58.388 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.997 -57.059 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.532 -59.440 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.190 -59.330 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.586 -57.731 -11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.353 -58.931 -11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.214 -57.055 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.855 -57.326 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.579 -56.188 -10.446 1.00 0.00 H new ATOM 249 N TYR A 15 7.142 -53.812 -8.980 1.00 0.00 N ATOM 250 CA TYR A 15 6.344 -52.740 -8.383 1.00 0.00 C ATOM 251 C TYR A 15 6.258 -51.548 -9.359 1.00 0.00 C ATOM 252 O TYR A 15 6.801 -50.446 -9.188 1.00 0.00 O ATOM 253 CB TYR A 15 6.921 -52.370 -6.998 1.00 0.00 C ATOM 254 CG TYR A 15 6.643 -53.504 -6.001 1.00 0.00 C ATOM 255 CD1 TYR A 15 5.396 -53.642 -5.415 1.00 0.00 C ATOM 256 CD2 TYR A 15 7.612 -54.431 -5.662 1.00 0.00 C ATOM 257 CE1 TYR A 15 5.125 -54.661 -4.523 1.00 0.00 C ATOM 258 CE2 TYR A 15 7.351 -55.454 -4.772 1.00 0.00 C ATOM 259 CZ TYR A 15 6.108 -55.567 -4.204 1.00 0.00 C ATOM 260 OH TYR A 15 5.866 -56.577 -3.331 1.00 0.00 O ATOM 0 H TYR A 15 8.138 -53.746 -8.768 1.00 0.00 H new ATOM 0 HA TYR A 15 5.320 -53.072 -8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.994 -52.196 -7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.472 -51.442 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.617 -52.936 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.595 -54.353 -6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.145 -54.746 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.125 -56.165 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 15 6.675 -57.120 -3.226 1.00 0.00 H new ATOM 270 N ALA A 16 5.462 -51.884 -10.385 1.00 0.00 N ATOM 271 CA ALA A 16 5.315 -51.134 -11.628 1.00 0.00 C ATOM 272 C ALA A 16 4.908 -49.666 -11.442 1.00 0.00 C ATOM 273 O ALA A 16 5.514 -48.778 -12.040 1.00 0.00 O ATOM 274 CB ALA A 16 4.302 -51.886 -12.516 1.00 0.00 C ATOM 0 H ALA A 16 4.881 -52.722 -10.364 1.00 0.00 H new ATOM 0 HA ALA A 16 6.295 -51.080 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.171 -51.348 -13.455 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.674 -52.890 -12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.344 -51.953 -11.999 1.00 0.00 H new ATOM 280 N MET A 17 3.930 -49.423 -10.564 1.00 0.00 N ATOM 281 CA MET A 17 3.458 -48.086 -10.214 1.00 0.00 C ATOM 282 C MET A 17 4.529 -47.251 -9.479 1.00 0.00 C ATOM 283 O MET A 17 4.644 -46.053 -9.729 1.00 0.00 O ATOM 284 CB MET A 17 2.170 -48.265 -9.370 1.00 0.00 C ATOM 285 CG MET A 17 1.397 -46.955 -9.102 1.00 0.00 C ATOM 286 SD MET A 17 -0.167 -47.255 -8.238 1.00 0.00 S ATOM 287 CE MET A 17 -1.323 -47.296 -9.631 1.00 0.00 C ATOM 0 H MET A 17 3.437 -50.166 -10.069 1.00 0.00 H new ATOM 0 HA MET A 17 3.242 -47.518 -11.119 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.509 -48.965 -9.882 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.436 -48.718 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.017 -46.283 -8.508 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.198 -46.451 -10.048 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.333 -47.473 -9.261 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.292 -46.342 -10.158 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.041 -48.097 -10.314 1.00 0.00 H new ATOM 297 N LEU A 18 5.373 -47.871 -8.642 1.00 0.00 N ATOM 298 CA LEU A 18 6.348 -47.163 -7.806 1.00 0.00 C ATOM 299 C LEU A 18 7.630 -46.801 -8.569 1.00 0.00 C ATOM 300 O LEU A 18 8.137 -45.678 -8.445 1.00 0.00 O ATOM 301 CB LEU A 18 6.642 -48.002 -6.535 1.00 0.00 C ATOM 302 CG LEU A 18 5.384 -48.362 -5.701 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.785 -49.196 -4.479 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.604 -47.117 -5.248 1.00 0.00 C ATOM 0 H LEU A 18 5.397 -48.884 -8.527 1.00 0.00 H new ATOM 0 HA LEU A 18 5.913 -46.210 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.143 -48.924 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.337 -47.450 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 18 4.725 -48.942 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.895 -49.444 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.271 -50.114 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.474 -48.624 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.733 -47.424 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.247 -46.489 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.278 -46.554 -6.122 1.00 0.00 H new ATOM 316 N LYS A 19 8.167 -47.721 -9.383 1.00 0.00 N ATOM 317 CA LYS A 19 9.169 -47.322 -10.373 1.00 0.00 C ATOM 318 C LYS A 19 8.588 -46.386 -11.463 1.00 0.00 C ATOM 319 O LYS A 19 9.334 -45.552 -11.973 1.00 0.00 O ATOM 320 CB LYS A 19 9.866 -48.573 -10.984 1.00 0.00 C ATOM 321 CG LYS A 19 8.977 -49.520 -11.838 1.00 0.00 C ATOM 322 CD LYS A 19 9.128 -49.295 -13.362 1.00 0.00 C ATOM 323 CE LYS A 19 8.168 -50.109 -14.238 1.00 0.00 C ATOM 324 NZ LYS A 19 8.490 -51.531 -14.173 1.00 0.00 N ATOM 0 H LYS A 19 7.933 -48.714 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 19 9.927 -46.737 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.694 -48.232 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.297 -49.154 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.231 -50.554 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.933 -49.377 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.979 -48.236 -13.574 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.151 -49.537 -13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.142 -49.948 -13.908 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.229 -49.764 -15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.984 -52.036 -14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.515 -51.661 -14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.201 -51.911 -13.249 1.00 0.00 H new ATOM 338 N LYS A 20 7.298 -46.461 -11.853 1.00 0.00 N ATOM 339 CA LYS A 20 6.667 -45.420 -12.678 1.00 0.00 C ATOM 340 C LYS A 20 6.613 -44.079 -11.904 1.00 0.00 C ATOM 341 O LYS A 20 6.838 -43.052 -12.541 1.00 0.00 O ATOM 342 CB LYS A 20 5.237 -45.866 -13.120 1.00 0.00 C ATOM 343 CG LYS A 20 4.713 -45.425 -14.518 1.00 0.00 C ATOM 344 CD LYS A 20 4.649 -43.904 -14.747 1.00 0.00 C ATOM 345 CE LYS A 20 3.736 -43.480 -15.891 1.00 0.00 C ATOM 346 NZ LYS A 20 4.006 -42.068 -16.158 1.00 0.00 N ATOM 0 H LYS A 20 6.677 -47.232 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 20 7.268 -45.272 -13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.205 -46.955 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.532 -45.501 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.353 -45.864 -15.283 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.715 -45.840 -14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.309 -43.424 -13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.655 -43.536 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.926 -44.083 -16.779 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.690 -43.628 -15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.261 -41.682 -16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.022 -41.542 -15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.928 -41.974 -16.631 1.00 0.00 H new ATOM 360 N CYS A 21 6.348 -44.015 -10.580 1.00 0.00 N ATOM 361 CA CYS A 21 6.558 -42.795 -9.776 1.00 0.00 C ATOM 362 C CYS A 21 7.992 -42.223 -9.873 1.00 0.00 C ATOM 363 O CYS A 21 8.142 -41.003 -9.997 1.00 0.00 O ATOM 364 CB CYS A 21 6.205 -43.049 -8.298 1.00 0.00 C ATOM 365 SG CYS A 21 4.448 -43.315 -7.936 1.00 0.00 S ATOM 0 H CYS A 21 5.985 -44.803 -10.044 1.00 0.00 H new ATOM 0 HA CYS A 21 5.889 -42.046 -10.200 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.762 -43.921 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.552 -42.199 -7.711 1.00 0.00 H new ATOM 370 N CYS A 22 9.035 -43.081 -9.843 1.00 0.00 N ATOM 371 CA CYS A 22 10.398 -42.704 -10.278 1.00 0.00 C ATOM 372 C CYS A 22 10.399 -42.049 -11.652 1.00 0.00 C ATOM 373 O CYS A 22 10.876 -40.928 -11.820 1.00 0.00 O ATOM 374 CB CYS A 22 11.410 -43.871 -10.132 1.00 0.00 C ATOM 375 SG CYS A 22 13.053 -43.365 -9.537 1.00 0.00 S ATOM 0 H CYS A 22 8.958 -44.045 -9.520 1.00 0.00 H new ATOM 0 HA CYS A 22 10.755 -41.936 -9.592 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.999 -44.610 -9.444 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.522 -44.363 -11.098 1.00 0.00 H new ATOM 380 N TYR A 23 9.812 -42.703 -12.632 1.00 0.00 N ATOM 381 CA TYR A 23 9.885 -42.209 -13.994 1.00 0.00 C ATOM 382 C TYR A 23 9.001 -40.967 -14.265 1.00 0.00 C ATOM 383 O TYR A 23 9.364 -40.149 -15.113 1.00 0.00 O ATOM 384 CB TYR A 23 9.743 -43.429 -14.882 1.00 0.00 C ATOM 385 CG TYR A 23 10.804 -44.525 -14.567 1.00 0.00 C ATOM 386 CD1 TYR A 23 11.932 -44.428 -13.710 1.00 0.00 C ATOM 387 CD2 TYR A 23 10.674 -45.685 -15.306 1.00 0.00 C ATOM 388 CE1 TYR A 23 12.876 -45.441 -13.703 1.00 0.00 C ATOM 389 CE2 TYR A 23 11.616 -46.689 -15.281 1.00 0.00 C ATOM 390 CZ TYR A 23 12.724 -46.558 -14.487 1.00 0.00 C ATOM 391 OH TYR A 23 13.681 -47.523 -14.492 1.00 0.00 O ATOM 0 H TYR A 23 9.284 -43.568 -12.516 1.00 0.00 H new ATOM 0 HA TYR A 23 10.844 -41.749 -14.233 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.745 -43.849 -14.759 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.836 -43.127 -15.925 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.053 -43.569 -13.067 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.800 -45.809 -15.927 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.747 -45.351 -13.070 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.482 -47.575 -15.884 1.00 0.00 H new ATOM 0 HH TYR A 23 13.278 -48.382 -14.738 1.00 0.00 H new ATOM 401 N ASP A 24 7.903 -40.769 -13.507 1.00 0.00 N ATOM 402 CA ASP A 24 7.226 -39.471 -13.355 1.00 0.00 C ATOM 403 C ASP A 24 8.175 -38.379 -12.831 1.00 0.00 C ATOM 404 O ASP A 24 8.209 -37.281 -13.393 1.00 0.00 O ATOM 405 CB ASP A 24 5.976 -39.556 -12.428 1.00 0.00 C ATOM 406 CG ASP A 24 4.868 -40.474 -12.944 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.558 -40.466 -14.140 1.00 0.00 O ATOM 408 OD2 ASP A 24 4.290 -41.177 -12.123 1.00 0.00 O ATOM 0 H ASP A 24 7.458 -41.519 -12.977 1.00 0.00 H new ATOM 0 HA ASP A 24 6.895 -39.198 -14.357 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.291 -39.905 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.568 -38.554 -12.295 1.00 0.00 H new ATOM 413 N GLY A 25 8.940 -38.686 -11.769 1.00 0.00 N ATOM 414 CA GLY A 25 10.041 -37.843 -11.283 1.00 0.00 C ATOM 415 C GLY A 25 11.105 -37.517 -12.340 1.00 0.00 C ATOM 416 O GLY A 25 11.535 -36.369 -12.427 1.00 0.00 O ATOM 0 H GLY A 25 8.808 -39.535 -11.220 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.627 -36.909 -10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.522 -38.344 -10.443 1.00 0.00 H new ATOM 420 N ALA A 26 11.523 -38.518 -13.129 1.00 0.00 N ATOM 421 CA ALA A 26 12.467 -38.342 -14.237 1.00 0.00 C ATOM 422 C ALA A 26 11.955 -37.431 -15.374 1.00 0.00 C ATOM 423 O ALA A 26 12.696 -36.524 -15.768 1.00 0.00 O ATOM 424 CB ALA A 26 12.886 -39.720 -14.783 1.00 0.00 C ATOM 0 H ALA A 26 11.210 -39.482 -13.012 1.00 0.00 H new ATOM 0 HA ALA A 26 13.331 -37.820 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.588 -39.587 -15.606 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.362 -40.296 -13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.005 -40.253 -15.140 1.00 0.00 H new ATOM 430 N TYR A 27 10.746 -37.600 -15.945 1.00 0.00 N ATOM 431 CA TYR A 27 10.227 -36.615 -16.909 1.00 0.00 C ATOM 432 C TYR A 27 9.593 -35.364 -16.252 1.00 0.00 C ATOM 433 O TYR A 27 8.385 -35.223 -16.031 1.00 0.00 O ATOM 434 CB TYR A 27 9.445 -37.190 -18.131 1.00 0.00 C ATOM 435 CG TYR A 27 8.549 -38.406 -17.861 1.00 0.00 C ATOM 436 CD1 TYR A 27 7.321 -38.301 -17.230 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.920 -39.654 -18.331 1.00 0.00 C ATOM 438 CE1 TYR A 27 6.495 -39.401 -17.084 1.00 0.00 C ATOM 439 CE2 TYR A 27 8.103 -40.756 -18.190 1.00 0.00 C ATOM 440 CZ TYR A 27 6.888 -40.626 -17.566 1.00 0.00 C ATOM 441 OH TYR A 27 6.081 -41.711 -17.421 1.00 0.00 O ATOM 0 H TYR A 27 10.126 -38.389 -15.761 1.00 0.00 H new ATOM 0 HA TYR A 27 11.132 -36.243 -17.389 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.825 -36.394 -18.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.167 -37.463 -18.900 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.002 -37.344 -16.845 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.875 -39.768 -18.822 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.540 -39.297 -16.591 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.418 -41.717 -18.569 1.00 0.00 H new ATOM 0 HH TYR A 27 6.512 -42.495 -17.820 1.00 0.00 H new ATOM 451 N ARG A 28 10.506 -34.437 -15.931 1.00 0.00 N ATOM 452 CA ARG A 28 10.201 -33.131 -15.337 1.00 0.00 C ATOM 453 C ARG A 28 10.016 -31.995 -16.383 1.00 0.00 C ATOM 454 O ARG A 28 10.381 -30.835 -16.161 1.00 0.00 O ATOM 455 CB ARG A 28 11.377 -32.861 -14.353 1.00 0.00 C ATOM 456 CG ARG A 28 10.995 -32.368 -12.937 1.00 0.00 C ATOM 457 CD ARG A 28 10.548 -30.904 -12.834 1.00 0.00 C ATOM 458 NE ARG A 28 11.644 -30.047 -13.296 1.00 0.00 N ATOM 459 CZ ARG A 28 12.651 -29.628 -12.583 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.896 -29.984 -11.381 1.00 0.00 N ATOM 461 NH2 ARG A 28 13.466 -28.828 -13.143 1.00 0.00 N ATOM 0 H ARG A 28 11.504 -34.580 -16.082 1.00 0.00 H new ATOM 0 HA ARG A 28 9.237 -33.146 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.953 -33.781 -14.250 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.037 -32.121 -14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.192 -33.000 -12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.852 -32.513 -12.280 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.657 -30.737 -13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.285 -30.660 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 28 11.616 -29.750 -14.271 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.279 -30.645 -10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.709 -29.607 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.316 -28.541 -14.110 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.270 -28.473 -12.625 1.00 0.00 H new ATOM 475 N ASN A 29 9.378 -32.307 -17.523 1.00 0.00 N ATOM 476 CA ASN A 29 9.205 -31.391 -18.663 1.00 0.00 C ATOM 477 C ASN A 29 8.366 -30.127 -18.380 1.00 0.00 C ATOM 478 O ASN A 29 8.500 -29.126 -19.084 1.00 0.00 O ATOM 479 CB ASN A 29 8.585 -32.176 -19.848 1.00 0.00 C ATOM 480 CG ASN A 29 9.534 -33.266 -20.338 1.00 0.00 C ATOM 481 OD1 ASN A 29 9.477 -34.403 -19.893 1.00 0.00 O ATOM 482 ND2 ASN A 29 10.439 -32.987 -21.255 1.00 0.00 N ATOM 0 H ASN A 29 8.959 -33.223 -17.681 1.00 0.00 H new ATOM 0 HA ASN A 29 10.202 -31.018 -18.896 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.641 -32.623 -19.538 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.360 -31.490 -20.665 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.076 -33.714 -21.581 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.502 -32.044 -21.639 1.00 0.00 H new ATOM 489 N ASP A 30 7.484 -30.178 -17.374 1.00 0.00 N ATOM 490 CA ASP A 30 6.772 -29.007 -16.850 1.00 0.00 C ATOM 491 C ASP A 30 7.672 -27.934 -16.188 1.00 0.00 C ATOM 492 O ASP A 30 7.327 -26.753 -16.207 1.00 0.00 O ATOM 493 CB ASP A 30 5.663 -29.496 -15.864 1.00 0.00 C ATOM 494 CG ASP A 30 6.211 -30.378 -14.741 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.804 -29.855 -13.799 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.074 -31.597 -14.836 1.00 0.00 O ATOM 0 H ASP A 30 7.242 -31.046 -16.895 1.00 0.00 H new ATOM 0 HA ASP A 30 6.336 -28.495 -17.708 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.164 -28.630 -15.428 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.909 -30.052 -16.421 1.00 0.00 H new ATOM 501 N ASP A 31 8.811 -28.352 -15.605 1.00 0.00 N ATOM 502 CA ASP A 31 9.697 -27.532 -14.768 1.00 0.00 C ATOM 503 C ASP A 31 9.058 -26.803 -13.559 1.00 0.00 C ATOM 504 O ASP A 31 9.436 -25.683 -13.203 1.00 0.00 O ATOM 505 CB ASP A 31 10.620 -26.634 -15.650 1.00 0.00 C ATOM 506 CG ASP A 31 11.749 -27.453 -16.276 1.00 0.00 C ATOM 507 OD1 ASP A 31 12.536 -28.044 -15.530 1.00 0.00 O ATOM 508 OD2 ASP A 31 11.864 -27.492 -17.499 1.00 0.00 O ATOM 0 H ASP A 31 9.150 -29.308 -15.710 1.00 0.00 H new ATOM 0 HA ASP A 31 10.324 -28.253 -14.244 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.030 -26.162 -16.436 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.041 -25.833 -15.043 1.00 0.00 H new ATOM 513 N GLU A 32 8.069 -27.442 -12.916 1.00 0.00 N ATOM 514 CA GLU A 32 7.610 -27.069 -11.573 1.00 0.00 C ATOM 515 C GLU A 32 8.554 -27.563 -10.448 1.00 0.00 C ATOM 516 O GLU A 32 9.515 -28.306 -10.666 1.00 0.00 O ATOM 517 CB GLU A 32 6.183 -27.637 -11.354 1.00 0.00 C ATOM 518 CG GLU A 32 5.106 -26.967 -12.257 1.00 0.00 C ATOM 519 CD GLU A 32 3.767 -27.698 -12.177 1.00 0.00 C ATOM 520 OE1 GLU A 32 3.025 -27.481 -11.215 1.00 0.00 O ATOM 521 OE2 GLU A 32 3.475 -28.485 -13.072 1.00 0.00 O ATOM 0 H GLU A 32 7.565 -28.234 -13.315 1.00 0.00 H new ATOM 0 HA GLU A 32 7.607 -25.980 -11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.193 -28.710 -11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.904 -27.505 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.972 -25.928 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.453 -26.956 -13.290 1.00 0.00 H new ATOM 528 N THR A 33 8.276 -27.150 -9.207 1.00 0.00 N ATOM 529 CA THR A 33 8.919 -27.701 -8.007 1.00 0.00 C ATOM 530 C THR A 33 8.441 -29.136 -7.702 1.00 0.00 C ATOM 531 O THR A 33 7.240 -29.432 -7.659 1.00 0.00 O ATOM 532 CB THR A 33 8.680 -26.778 -6.783 1.00 0.00 C ATOM 533 OG1 THR A 33 7.325 -26.360 -6.766 1.00 0.00 O ATOM 534 CG2 THR A 33 9.502 -25.495 -6.830 1.00 0.00 C ATOM 0 H THR A 33 7.594 -26.419 -9.004 1.00 0.00 H new ATOM 0 HA THR A 33 9.989 -27.749 -8.208 1.00 0.00 H new ATOM 0 HB THR A 33 8.964 -27.364 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.065 -26.131 -5.849 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.289 -24.894 -5.946 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.563 -25.743 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.242 -24.929 -7.725 1.00 0.00 H new ATOM 542 N CYS A 34 9.421 -30.021 -7.458 1.00 0.00 N ATOM 543 CA CYS A 34 9.234 -31.474 -7.344 1.00 0.00 C ATOM 544 C CYS A 34 8.210 -31.897 -6.278 1.00 0.00 C ATOM 545 O CYS A 34 7.295 -32.672 -6.547 1.00 0.00 O ATOM 546 CB CYS A 34 10.600 -32.135 -7.018 1.00 0.00 C ATOM 547 SG CYS A 34 11.817 -32.099 -8.358 1.00 0.00 S ATOM 0 H CYS A 34 10.392 -29.736 -7.331 1.00 0.00 H new ATOM 0 HA CYS A 34 8.838 -31.808 -8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.027 -31.637 -6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.425 -33.173 -6.737 1.00 0.00 H new ATOM 552 N GLU A 35 8.360 -31.337 -5.077 1.00 0.00 N ATOM 553 CA GLU A 35 7.498 -31.620 -3.927 1.00 0.00 C ATOM 554 C GLU A 35 6.115 -30.943 -3.987 1.00 0.00 C ATOM 555 O GLU A 35 5.228 -31.346 -3.238 1.00 0.00 O ATOM 556 CB GLU A 35 8.224 -31.351 -2.566 1.00 0.00 C ATOM 557 CG GLU A 35 8.966 -29.982 -2.377 1.00 0.00 C ATOM 558 CD GLU A 35 10.273 -29.906 -3.171 1.00 0.00 C ATOM 559 OE1 GLU A 35 11.281 -30.463 -2.729 1.00 0.00 O ATOM 560 OE2 GLU A 35 10.245 -29.360 -4.275 1.00 0.00 O ATOM 0 H GLU A 35 9.097 -30.662 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 35 7.292 -32.689 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.484 -31.440 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.952 -32.148 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.308 -29.170 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.179 -29.831 -1.319 1.00 0.00 H new ATOM 567 N GLU A 36 5.871 -29.936 -4.839 1.00 0.00 N ATOM 568 CA GLU A 36 4.524 -29.393 -5.057 1.00 0.00 C ATOM 569 C GLU A 36 3.752 -30.181 -6.135 1.00 0.00 C ATOM 570 O GLU A 36 2.557 -30.474 -5.965 1.00 0.00 O ATOM 571 CB GLU A 36 4.591 -27.876 -5.347 1.00 0.00 C ATOM 572 CG GLU A 36 4.975 -27.088 -4.052 1.00 0.00 C ATOM 573 CD GLU A 36 5.153 -25.590 -4.293 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.267 -25.187 -4.636 1.00 0.00 O ATOM 575 OE2 GLU A 36 4.190 -24.847 -4.125 1.00 0.00 O ATOM 0 H GLU A 36 6.596 -29.479 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 36 3.951 -29.518 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.325 -27.681 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.628 -27.528 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.202 -27.239 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.900 -27.497 -3.646 1.00 0.00 H new ATOM 582 N ARG A 37 4.416 -30.558 -7.245 1.00 0.00 N ATOM 583 CA ARG A 37 3.824 -31.525 -8.171 1.00 0.00 C ATOM 584 C ARG A 37 3.687 -32.914 -7.518 1.00 0.00 C ATOM 585 O ARG A 37 2.665 -33.563 -7.734 1.00 0.00 O ATOM 586 CB ARG A 37 4.457 -31.537 -9.594 1.00 0.00 C ATOM 587 CG ARG A 37 5.856 -32.163 -9.780 1.00 0.00 C ATOM 588 CD ARG A 37 6.215 -32.257 -11.275 1.00 0.00 C ATOM 589 NE ARG A 37 7.359 -33.154 -11.411 1.00 0.00 N ATOM 590 CZ ARG A 37 7.572 -33.952 -12.420 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.087 -33.840 -13.601 1.00 0.00 N ATOM 592 NH2 ARG A 37 8.399 -34.894 -12.226 1.00 0.00 N ATOM 0 H ARG A 37 5.338 -30.215 -7.512 1.00 0.00 H new ATOM 0 HA ARG A 37 2.811 -31.176 -8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.769 -32.063 -10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.508 -30.505 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.601 -31.562 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.878 -33.157 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.367 -32.632 -11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.455 -31.271 -11.672 1.00 0.00 H new ATOM 0 HE ARG A 37 8.046 -33.157 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.465 -33.064 -13.825 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.323 -34.527 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.855 -34.994 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.608 -35.552 -12.977 1.00 0.00 H new ATOM 606 N ALA A 38 4.631 -33.390 -6.691 1.00 0.00 N ATOM 607 CA ALA A 38 4.427 -34.590 -5.878 1.00 0.00 C ATOM 608 C ALA A 38 3.809 -34.386 -4.470 1.00 0.00 C ATOM 609 O ALA A 38 3.807 -35.300 -3.647 1.00 0.00 O ATOM 610 CB ALA A 38 5.690 -35.440 -5.926 1.00 0.00 C ATOM 0 H ALA A 38 5.546 -32.956 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 38 3.613 -35.152 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.548 -36.337 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.898 -35.725 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.529 -34.867 -5.532 1.00 0.00 H new ATOM 616 N ALA A 39 3.314 -33.192 -4.114 1.00 0.00 N ATOM 617 CA ALA A 39 2.125 -33.070 -3.265 1.00 0.00 C ATOM 618 C ALA A 39 0.839 -33.477 -4.012 1.00 0.00 C ATOM 619 O ALA A 39 -0.049 -34.093 -3.421 1.00 0.00 O ATOM 620 CB ALA A 39 2.004 -31.633 -2.723 1.00 0.00 C ATOM 0 H ALA A 39 3.719 -32.301 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 39 2.244 -33.758 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.117 -31.555 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.889 -31.390 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.920 -30.936 -3.557 1.00 0.00 H new ATOM 626 N ARG A 40 0.717 -33.108 -5.299 1.00 0.00 N ATOM 627 CA ARG A 40 -0.344 -33.644 -6.169 1.00 0.00 C ATOM 628 C ARG A 40 -0.181 -35.148 -6.512 1.00 0.00 C ATOM 629 O ARG A 40 -1.178 -35.873 -6.545 1.00 0.00 O ATOM 630 CB ARG A 40 -0.457 -32.761 -7.435 1.00 0.00 C ATOM 631 CG ARG A 40 -1.077 -31.374 -7.128 1.00 0.00 C ATOM 632 CD ARG A 40 -0.905 -30.383 -8.286 1.00 0.00 C ATOM 633 NE ARG A 40 0.441 -29.812 -8.218 1.00 0.00 N ATOM 634 CZ ARG A 40 1.001 -29.092 -9.149 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.538 -28.908 -10.326 1.00 0.00 N ATOM 636 NH2 ARG A 40 2.125 -28.551 -8.916 1.00 0.00 N ATOM 0 H ARG A 40 1.338 -32.442 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.279 -33.600 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.533 -32.626 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.067 -33.273 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.139 -31.494 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.614 -30.963 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.054 -30.888 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.654 -29.594 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 40 0.985 -29.992 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.342 -29.344 -10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.049 -28.326 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.577 -28.683 -8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.577 -27.984 -9.634 1.00 0.00 H new ATOM 650 N ILE A 41 1.021 -35.662 -6.823 1.00 0.00 N ATOM 651 CA ILE A 41 1.335 -37.101 -6.788 1.00 0.00 C ATOM 652 C ILE A 41 1.487 -37.639 -5.344 1.00 0.00 C ATOM 653 O ILE A 41 2.537 -37.868 -4.743 1.00 0.00 O ATOM 654 CB ILE A 41 2.490 -37.536 -7.736 1.00 0.00 C ATOM 655 CG1 ILE A 41 2.203 -37.161 -9.207 1.00 0.00 C ATOM 656 CG2 ILE A 41 2.719 -39.020 -7.696 1.00 0.00 C ATOM 657 CD1 ILE A 41 3.072 -35.981 -9.548 1.00 0.00 C ATOM 0 H ILE A 41 1.811 -35.084 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 41 0.456 -37.591 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 41 3.372 -37.006 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.420 -38.001 -9.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.150 -36.914 -9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.533 -39.281 -8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.979 -39.321 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.811 -39.537 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.896 -35.687 -10.583 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.830 -35.148 -8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.120 -36.252 -9.421 1.00 0.00 H new ATOM 669 N LYS A 42 0.273 -37.866 -4.874 1.00 0.00 N ATOM 670 CA LYS A 42 -0.059 -38.258 -3.501 1.00 0.00 C ATOM 671 C LYS A 42 -0.287 -39.773 -3.282 1.00 0.00 C ATOM 672 O LYS A 42 -0.817 -40.176 -2.244 1.00 0.00 O ATOM 673 CB LYS A 42 -1.275 -37.408 -3.028 1.00 0.00 C ATOM 674 CG LYS A 42 -2.565 -37.576 -3.870 1.00 0.00 C ATOM 675 CD LYS A 42 -3.692 -36.678 -3.334 1.00 0.00 C ATOM 676 CE LYS A 42 -4.952 -36.816 -4.182 1.00 0.00 C ATOM 677 NZ LYS A 42 -5.959 -35.930 -3.617 1.00 0.00 N ATOM 0 H LYS A 42 -0.555 -37.780 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 42 0.818 -38.051 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.499 -37.668 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.988 -36.356 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.360 -37.326 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.884 -38.618 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.914 -36.945 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.363 -35.639 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.747 -36.551 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.304 -37.847 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.835 -36.000 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.151 -36.206 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.611 -34.950 -3.640 1.00 0.00 H new ATOM 691 N ILE A 43 0.147 -40.625 -4.225 1.00 0.00 N ATOM 692 CA ILE A 43 -0.209 -42.053 -4.277 1.00 0.00 C ATOM 693 C ILE A 43 0.334 -42.879 -3.087 1.00 0.00 C ATOM 694 O ILE A 43 -0.403 -43.701 -2.536 1.00 0.00 O ATOM 695 CB ILE A 43 0.201 -42.640 -5.676 1.00 0.00 C ATOM 696 CG1 ILE A 43 -0.562 -41.905 -6.823 1.00 0.00 C ATOM 697 CG2 ILE A 43 -0.057 -44.168 -5.776 1.00 0.00 C ATOM 698 CD1 ILE A 43 -0.002 -42.164 -8.242 1.00 0.00 C ATOM 0 H ILE A 43 0.764 -40.337 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.291 -42.132 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 43 1.273 -42.476 -5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.608 -42.210 -6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.538 -40.833 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.243 -44.524 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.522 -44.686 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.118 -44.369 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.594 -41.613 -8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.035 -41.831 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.052 -43.230 -8.464 1.00 0.00 H new ATOM 710 N GLY A 44 1.590 -42.685 -2.658 1.00 0.00 N ATOM 711 CA GLY A 44 2.125 -43.386 -1.479 1.00 0.00 C ATOM 712 C GLY A 44 3.555 -42.995 -1.053 1.00 0.00 C ATOM 713 O GLY A 44 4.252 -42.366 -1.856 1.00 0.00 O ATOM 0 H GLY A 44 2.252 -42.052 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.455 -43.206 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.106 -44.457 -1.678 1.00 0.00 H new ATOM 717 N PRO A 45 4.059 -43.364 0.154 1.00 0.00 N ATOM 718 CA PRO A 45 5.383 -42.954 0.671 1.00 0.00 C ATOM 719 C PRO A 45 6.603 -43.404 -0.164 1.00 0.00 C ATOM 720 O PRO A 45 7.505 -42.601 -0.425 1.00 0.00 O ATOM 721 CB PRO A 45 5.399 -43.486 2.117 1.00 0.00 C ATOM 722 CG PRO A 45 4.439 -44.660 2.088 1.00 0.00 C ATOM 723 CD PRO A 45 3.340 -44.178 1.144 1.00 0.00 C ATOM 0 HA PRO A 45 5.496 -41.871 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.400 -43.796 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.076 -42.724 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.920 -45.566 1.719 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.049 -44.887 3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.822 -45.014 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.587 -43.593 1.672 1.00 0.00 H new ATOM 731 N LYS A 46 6.619 -44.670 -0.608 1.00 0.00 N ATOM 732 CA LYS A 46 7.613 -45.189 -1.552 1.00 0.00 C ATOM 733 C LYS A 46 7.534 -44.508 -2.933 1.00 0.00 C ATOM 734 O LYS A 46 8.568 -44.308 -3.573 1.00 0.00 O ATOM 735 CB LYS A 46 7.459 -46.720 -1.698 1.00 0.00 C ATOM 736 CG LYS A 46 7.887 -47.512 -0.443 1.00 0.00 C ATOM 737 CD LYS A 46 7.772 -49.031 -0.703 1.00 0.00 C ATOM 738 CE LYS A 46 8.302 -49.913 0.435 1.00 0.00 C ATOM 739 NZ LYS A 46 7.427 -49.791 1.593 1.00 0.00 N ATOM 0 H LYS A 46 5.934 -45.367 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 46 8.596 -44.958 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.418 -46.951 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.053 -47.056 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.913 -47.258 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.260 -47.232 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.725 -49.278 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.316 -49.273 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.351 -50.953 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.316 -49.613 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.786 -50.389 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.402 -48.800 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.467 -50.097 1.336 1.00 0.00 H new ATOM 753 N CYS A 47 6.318 -44.116 -3.354 1.00 0.00 N ATOM 754 CA CYS A 47 6.085 -43.349 -4.577 1.00 0.00 C ATOM 755 C CYS A 47 6.725 -41.954 -4.491 1.00 0.00 C ATOM 756 O CYS A 47 7.573 -41.672 -5.338 1.00 0.00 O ATOM 757 CB CYS A 47 4.566 -43.268 -4.889 1.00 0.00 C ATOM 758 SG CYS A 47 4.106 -42.206 -6.286 1.00 0.00 S ATOM 0 H CYS A 47 5.462 -44.329 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 47 6.567 -43.870 -5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.200 -44.276 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.049 -42.910 -3.999 1.00 0.00 H new ATOM 763 N VAL A 48 6.355 -41.086 -3.524 1.00 0.00 N ATOM 764 CA VAL A 48 7.077 -39.830 -3.266 1.00 0.00 C ATOM 765 C VAL A 48 8.601 -39.978 -3.120 1.00 0.00 C ATOM 766 O VAL A 48 9.329 -39.133 -3.635 1.00 0.00 O ATOM 767 CB VAL A 48 6.550 -38.999 -2.045 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.188 -37.606 -2.523 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.320 -39.531 -1.327 1.00 0.00 C ATOM 0 H VAL A 48 5.556 -41.238 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 48 6.862 -39.279 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 48 7.370 -39.044 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.820 -37.017 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.071 -37.125 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.413 -37.673 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.062 -38.864 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.485 -39.585 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.530 -40.526 -0.935 1.00 0.00 H new ATOM 779 N LYS A 49 9.100 -41.011 -2.426 1.00 0.00 N ATOM 780 CA LYS A 49 10.545 -41.285 -2.353 1.00 0.00 C ATOM 781 C LYS A 49 11.223 -41.652 -3.700 1.00 0.00 C ATOM 782 O LYS A 49 12.248 -41.037 -4.035 1.00 0.00 O ATOM 783 CB LYS A 49 10.823 -42.321 -1.222 1.00 0.00 C ATOM 784 CG LYS A 49 11.651 -41.711 -0.061 1.00 0.00 C ATOM 785 CD LYS A 49 13.138 -41.604 -0.442 1.00 0.00 C ATOM 786 CE LYS A 49 13.961 -40.709 0.465 1.00 0.00 C ATOM 787 NZ LYS A 49 15.318 -40.744 -0.069 1.00 0.00 N ATOM 0 H LYS A 49 8.524 -41.673 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 49 11.028 -40.341 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.876 -42.695 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.357 -43.176 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.263 -40.723 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.544 -42.329 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.573 -42.603 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.212 -41.230 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.569 -39.692 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.936 -41.066 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.805 -39.855 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.836 -41.542 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.282 -40.860 -1.102 1.00 0.00 H new ATOM 801 N ALA A 50 10.675 -42.609 -4.482 1.00 0.00 N ATOM 802 CA ALA A 50 11.082 -42.880 -5.875 1.00 0.00 C ATOM 803 C ALA A 50 11.033 -41.581 -6.715 1.00 0.00 C ATOM 804 O ALA A 50 12.037 -41.198 -7.324 1.00 0.00 O ATOM 805 CB ALA A 50 10.126 -43.967 -6.455 1.00 0.00 C ATOM 0 H ALA A 50 9.927 -43.222 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 50 12.109 -43.244 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.406 -44.186 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.203 -44.875 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.100 -43.601 -6.428 1.00 0.00 H new ATOM 811 N PHE A 51 9.894 -40.865 -6.635 1.00 0.00 N ATOM 812 CA PHE A 51 9.662 -39.578 -7.297 1.00 0.00 C ATOM 813 C PHE A 51 10.732 -38.536 -6.934 1.00 0.00 C ATOM 814 O PHE A 51 11.407 -38.056 -7.841 1.00 0.00 O ATOM 815 CB PHE A 51 8.253 -39.060 -6.877 1.00 0.00 C ATOM 816 CG PHE A 51 7.659 -38.024 -7.838 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.203 -36.761 -8.009 1.00 0.00 C ATOM 818 CD2 PHE A 51 6.590 -38.361 -8.644 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.730 -35.891 -8.966 1.00 0.00 C ATOM 820 CE2 PHE A 51 6.114 -37.507 -9.595 1.00 0.00 C ATOM 821 CZ PHE A 51 6.685 -36.270 -9.772 1.00 0.00 C ATOM 0 H PHE A 51 9.091 -41.180 -6.091 1.00 0.00 H new ATOM 0 HA PHE A 51 9.718 -39.727 -8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.572 -39.908 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.320 -38.621 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.020 -36.451 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.119 -39.325 -8.518 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.179 -34.916 -9.082 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.281 -37.806 -10.214 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.316 -35.603 -10.537 1.00 0.00 H new ATOM 831 N LYS A 52 10.905 -38.192 -5.647 1.00 0.00 N ATOM 832 CA LYS A 52 11.867 -37.186 -5.194 1.00 0.00 C ATOM 833 C LYS A 52 13.326 -37.510 -5.548 1.00 0.00 C ATOM 834 O LYS A 52 14.027 -36.595 -5.991 1.00 0.00 O ATOM 835 CB LYS A 52 11.715 -36.930 -3.665 1.00 0.00 C ATOM 836 CG LYS A 52 10.648 -35.861 -3.295 1.00 0.00 C ATOM 837 CD LYS A 52 11.097 -34.396 -3.544 1.00 0.00 C ATOM 838 CE LYS A 52 12.128 -33.898 -2.525 1.00 0.00 C ATOM 839 NZ LYS A 52 12.687 -32.640 -3.012 1.00 0.00 N ATOM 0 H LYS A 52 10.372 -38.613 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 52 11.625 -36.275 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.456 -37.869 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.679 -36.617 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.743 -36.054 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.387 -35.975 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.519 -34.318 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.223 -33.745 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.660 -33.753 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.918 -34.638 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.686 -32.572 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.616 -32.607 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.158 -31.844 -2.603 1.00 0.00 H new ATOM 853 N ASP A 53 13.817 -38.756 -5.412 1.00 0.00 N ATOM 854 CA ASP A 53 15.200 -39.042 -5.811 1.00 0.00 C ATOM 855 C ASP A 53 15.427 -39.053 -7.341 1.00 0.00 C ATOM 856 O ASP A 53 16.420 -38.474 -7.811 1.00 0.00 O ATOM 857 CB ASP A 53 15.746 -40.266 -5.034 1.00 0.00 C ATOM 858 CG ASP A 53 16.186 -39.839 -3.632 1.00 0.00 C ATOM 859 OD1 ASP A 53 17.113 -39.028 -3.527 1.00 0.00 O ATOM 860 OD2 ASP A 53 15.631 -40.320 -2.643 1.00 0.00 O ATOM 0 H ASP A 53 13.296 -39.552 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 53 15.821 -38.198 -5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.978 -41.036 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.588 -40.703 -5.571 1.00 0.00 H new ATOM 865 N CYS A 54 14.511 -39.638 -8.133 1.00 0.00 N ATOM 866 CA CYS A 54 14.499 -39.435 -9.587 1.00 0.00 C ATOM 867 C CYS A 54 14.317 -37.955 -10.012 1.00 0.00 C ATOM 868 O CYS A 54 14.913 -37.542 -11.010 1.00 0.00 O ATOM 869 CB CYS A 54 13.415 -40.325 -10.231 1.00 0.00 C ATOM 870 SG CYS A 54 13.894 -41.994 -10.771 1.00 0.00 S ATOM 0 H CYS A 54 13.773 -40.253 -7.789 1.00 0.00 H new ATOM 0 HA CYS A 54 15.485 -39.726 -9.950 1.00 0.00 H new ATOM 0 HB2 CYS A 54 12.598 -40.426 -9.517 1.00 0.00 H new ATOM 0 HB3 CYS A 54 13.018 -39.795 -11.097 1.00 0.00 H new ATOM 875 N CYS A 55 13.525 -37.142 -9.289 1.00 0.00 N ATOM 876 CA CYS A 55 13.396 -35.695 -9.522 1.00 0.00 C ATOM 877 C CYS A 55 14.696 -34.914 -9.230 1.00 0.00 C ATOM 878 O CYS A 55 14.992 -33.947 -9.940 1.00 0.00 O ATOM 879 CB CYS A 55 12.210 -35.136 -8.696 1.00 0.00 C ATOM 880 SG CYS A 55 11.350 -33.730 -9.453 1.00 0.00 S ATOM 0 H CYS A 55 12.950 -37.478 -8.517 1.00 0.00 H new ATOM 0 HA CYS A 55 13.198 -35.554 -10.585 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.490 -35.938 -8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.579 -34.833 -7.716 1.00 0.00 H new ATOM 885 N TYR A 56 15.489 -35.278 -8.207 1.00 0.00 N ATOM 886 CA TYR A 56 16.864 -34.776 -8.072 1.00 0.00 C ATOM 887 C TYR A 56 17.784 -35.172 -9.242 1.00 0.00 C ATOM 888 O TYR A 56 18.584 -34.333 -9.671 1.00 0.00 O ATOM 889 CB TYR A 56 17.507 -35.176 -6.720 1.00 0.00 C ATOM 890 CG TYR A 56 16.951 -34.343 -5.554 1.00 0.00 C ATOM 891 CD1 TYR A 56 17.130 -32.969 -5.485 1.00 0.00 C ATOM 892 CD2 TYR A 56 16.225 -34.933 -4.538 1.00 0.00 C ATOM 893 CE1 TYR A 56 16.592 -32.216 -4.459 1.00 0.00 C ATOM 894 CE2 TYR A 56 15.690 -34.192 -3.508 1.00 0.00 C ATOM 895 CZ TYR A 56 15.860 -32.832 -3.474 1.00 0.00 C ATOM 896 OH TYR A 56 15.224 -32.110 -2.509 1.00 0.00 O ATOM 0 H TYR A 56 15.201 -35.916 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 56 16.767 -33.691 -8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.325 -36.234 -6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.587 -35.044 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.705 -32.475 -6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.073 -36.002 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.747 -31.147 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 56 15.134 -34.684 -2.724 1.00 0.00 H new ATOM 0 HH TYR A 56 14.967 -31.236 -2.870 1.00 0.00 H new ATOM 906 N ILE A 57 17.700 -36.408 -9.770 1.00 0.00 N ATOM 907 CA ILE A 57 18.387 -36.762 -11.033 1.00 0.00 C ATOM 908 C ILE A 57 17.910 -35.917 -12.232 1.00 0.00 C ATOM 909 O ILE A 57 18.724 -35.449 -13.033 1.00 0.00 O ATOM 910 CB ILE A 57 18.276 -38.295 -11.342 1.00 0.00 C ATOM 911 CG1 ILE A 57 18.743 -39.197 -10.172 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.001 -38.740 -12.640 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.096 -38.815 -9.541 1.00 0.00 C ATOM 0 H ILE A 57 17.171 -37.172 -9.350 1.00 0.00 H new ATOM 0 HA ILE A 57 19.440 -36.524 -10.882 1.00 0.00 H new ATOM 0 HB ILE A 57 17.205 -38.434 -11.490 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.980 -39.177 -9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.806 -40.224 -10.531 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.874 -39.814 -12.778 1.00 0.00 H new ATOM 0 HG22 ILE A 57 18.576 -38.212 -13.494 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.063 -38.507 -12.562 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.329 -39.508 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.878 -38.865 -10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.039 -37.801 -9.144 1.00 0.00 H new ATOM 925 N ALA A 58 16.594 -35.710 -12.335 1.00 0.00 N ATOM 926 CA ALA A 58 15.988 -34.796 -13.313 1.00 0.00 C ATOM 927 C ALA A 58 16.488 -33.338 -13.203 1.00 0.00 C ATOM 928 O ALA A 58 16.750 -32.722 -14.237 1.00 0.00 O ATOM 929 CB ALA A 58 14.471 -34.828 -13.176 1.00 0.00 C ATOM 0 H ALA A 58 15.911 -36.176 -11.737 1.00 0.00 H new ATOM 0 HA ALA A 58 16.297 -35.153 -14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.026 -34.149 -13.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.111 -35.841 -13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.190 -34.517 -12.170 1.00 0.00 H new ATOM 935 N ASN A 59 16.622 -32.769 -11.990 1.00 0.00 N ATOM 936 CA ASN A 59 17.294 -31.475 -11.781 1.00 0.00 C ATOM 937 C ASN A 59 18.770 -31.470 -12.224 1.00 0.00 C ATOM 938 O ASN A 59 19.206 -30.507 -12.856 1.00 0.00 O ATOM 939 CB ASN A 59 17.200 -31.014 -10.303 1.00 0.00 C ATOM 940 CG ASN A 59 15.779 -30.597 -9.938 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.294 -29.535 -10.318 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.045 -31.398 -9.195 1.00 0.00 N ATOM 0 H ASN A 59 16.269 -33.192 -11.132 1.00 0.00 H new ATOM 0 HA ASN A 59 16.758 -30.772 -12.418 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.523 -31.822 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.880 -30.178 -10.137 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.092 -31.132 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.429 -32.285 -8.869 1.00 0.00 H new ATOM 949 N GLN A 60 19.536 -32.526 -11.905 1.00 0.00 N ATOM 950 CA GLN A 60 20.912 -32.711 -12.386 1.00 0.00 C ATOM 951 C GLN A 60 21.006 -32.781 -13.930 1.00 0.00 C ATOM 952 O GLN A 60 21.943 -32.231 -14.515 1.00 0.00 O ATOM 953 CB GLN A 60 21.466 -33.992 -11.714 1.00 0.00 C ATOM 954 CG GLN A 60 22.985 -34.230 -11.911 1.00 0.00 C ATOM 955 CD GLN A 60 23.415 -35.537 -11.245 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.887 -35.564 -10.116 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.275 -36.674 -11.899 1.00 0.00 N ATOM 0 H GLN A 60 19.213 -33.281 -11.300 1.00 0.00 H new ATOM 0 HA GLN A 60 21.514 -31.844 -12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.257 -33.943 -10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.925 -34.853 -12.106 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.218 -34.264 -12.975 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.547 -33.398 -11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.884 -36.676 -12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.558 -37.552 -11.463 1.00 0.00 H new ATOM 966 N VAL A 61 20.053 -33.455 -14.595 1.00 0.00 N ATOM 967 CA VAL A 61 19.881 -33.383 -16.055 1.00 0.00 C ATOM 968 C VAL A 61 19.449 -31.978 -16.529 1.00 0.00 C ATOM 969 O VAL A 61 20.152 -31.390 -17.356 1.00 0.00 O ATOM 970 CB VAL A 61 18.910 -34.508 -16.550 1.00 0.00 C ATOM 971 CG1 VAL A 61 18.595 -34.455 -18.061 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.491 -35.909 -16.268 1.00 0.00 C ATOM 0 H VAL A 61 19.379 -34.066 -14.134 1.00 0.00 H new ATOM 0 HA VAL A 61 20.854 -33.560 -16.514 1.00 0.00 H new ATOM 0 HB VAL A 61 17.990 -34.327 -15.994 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.917 -35.268 -18.320 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.126 -33.501 -18.302 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.519 -34.559 -18.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.795 -36.670 -16.622 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.444 -36.019 -16.786 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.645 -36.030 -15.196 1.00 0.00 H new ATOM 982 N ARG A 62 18.347 -31.393 -16.028 1.00 0.00 N ATOM 983 CA ARG A 62 17.879 -30.056 -16.433 1.00 0.00 C ATOM 984 C ARG A 62 18.799 -28.871 -16.059 1.00 0.00 C ATOM 985 O ARG A 62 18.587 -27.755 -16.536 1.00 0.00 O ATOM 986 CB ARG A 62 16.422 -29.832 -15.960 1.00 0.00 C ATOM 987 CG ARG A 62 15.394 -30.650 -16.793 1.00 0.00 C ATOM 988 CD ARG A 62 14.538 -29.787 -17.737 1.00 0.00 C ATOM 989 NE ARG A 62 15.343 -29.188 -18.805 1.00 0.00 N ATOM 990 CZ ARG A 62 14.989 -28.150 -19.517 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.903 -27.479 -19.366 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.774 -27.747 -20.439 1.00 0.00 N ATOM 0 H ARG A 62 17.753 -31.837 -15.327 1.00 0.00 H new ATOM 0 HA ARG A 62 17.917 -30.061 -17.522 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.337 -30.110 -14.910 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.180 -28.772 -16.029 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.928 -31.397 -17.381 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.736 -31.191 -16.113 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.750 -30.400 -18.175 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.048 -28.999 -17.165 1.00 0.00 H new ATOM 0 HE ARG A 62 16.248 -29.613 -19.008 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.235 -27.745 -18.642 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.709 -26.680 -19.970 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.655 -28.232 -20.607 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.520 -26.939 -21.008 1.00 0.00 H new ATOM 1006 N ALA A 63 19.807 -29.070 -15.197 1.00 0.00 N ATOM 1007 CA ALA A 63 20.957 -28.168 -15.091 1.00 0.00 C ATOM 1008 C ALA A 63 21.834 -28.109 -16.364 1.00 0.00 C ATOM 1009 O ALA A 63 22.486 -27.090 -16.603 1.00 0.00 O ATOM 1010 CB ALA A 63 21.803 -28.610 -13.880 1.00 0.00 C ATOM 0 H ALA A 63 19.845 -29.862 -14.555 1.00 0.00 H new ATOM 0 HA ALA A 63 20.570 -27.157 -14.962 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.667 -27.953 -13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.199 -28.555 -12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.143 -29.635 -14.028 1.00 0.00 H new ATOM 1016 N GLU A 64 21.873 -29.166 -17.194 1.00 0.00 N ATOM 1017 CA GLU A 64 22.659 -29.175 -18.433 1.00 0.00 C ATOM 1018 C GLU A 64 21.864 -29.530 -19.712 1.00 0.00 C ATOM 1019 O GLU A 64 22.241 -29.068 -20.788 1.00 0.00 O ATOM 1020 CB GLU A 64 23.979 -29.985 -18.244 1.00 0.00 C ATOM 1021 CG GLU A 64 23.890 -31.445 -17.679 1.00 0.00 C ATOM 1022 CD GLU A 64 23.409 -32.492 -18.686 1.00 0.00 C ATOM 1023 OE1 GLU A 64 23.915 -32.532 -19.809 1.00 0.00 O ATOM 1024 OE2 GLU A 64 22.523 -33.267 -18.341 1.00 0.00 O ATOM 0 H GLU A 64 21.362 -30.032 -17.023 1.00 0.00 H new ATOM 0 HA GLU A 64 22.942 -28.140 -18.627 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.478 -30.035 -19.212 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.627 -29.412 -17.580 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.873 -31.739 -17.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.216 -31.448 -16.822 1.00 0.00 H new