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 14 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.0255) USER MOD Set 1.2: A 15 TYR OH : rot 15:sc= 0.997 USER MOD Set 2.1: A 13 TYR OH : rot -5:sc= 1.41 USER MOD Set 2.2: A 19 LYS NZ :NH3+ -177:sc= 0.489 (180deg=0.2) USER MOD Set 2.3: A 23 TYR OH : rot -15:sc= 1.11 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 3.57 (180deg=3.4) USER MOD Single : A 17 MET CE :methyl -179:sc= 0 (180deg=-0.00172) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.9!) USER MOD Single : A 33 THR OG1 : rot 145:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.853) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 3.02 (180deg=2.66) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 1.2 (180deg=1.12) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.56 K(o=0.56,f=-7.5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 18.245 -46.088 -6.727 1.00 0.00 N ATOM 101 CA ILE A 6 17.387 -46.618 -7.815 1.00 0.00 C ATOM 102 C ILE A 6 17.387 -48.155 -7.730 1.00 0.00 C ATOM 103 O ILE A 6 16.324 -48.764 -7.633 1.00 0.00 O ATOM 104 CB ILE A 6 17.811 -46.299 -9.306 1.00 0.00 C ATOM 105 CG1 ILE A 6 18.264 -44.860 -9.595 1.00 0.00 C ATOM 106 CG2 ILE A 6 16.629 -46.666 -10.272 1.00 0.00 C ATOM 107 CD1 ILE A 6 19.031 -44.748 -10.940 1.00 0.00 C ATOM 0 HA ILE A 6 16.432 -46.122 -7.642 1.00 0.00 H new ATOM 0 HB ILE A 6 18.697 -46.911 -9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.394 -44.204 -9.619 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.903 -44.512 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 6 16.918 -46.447 -11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.398 -47.727 -10.178 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.749 -46.079 -10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.332 -43.713 -11.102 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.917 -45.382 -10.908 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.384 -45.070 -11.756 1.00 0.00 H new ATOM 119 N GLU A 7 18.589 -48.758 -7.715 1.00 0.00 N ATOM 120 CA GLU A 7 18.767 -50.207 -7.605 1.00 0.00 C ATOM 121 C GLU A 7 18.236 -50.809 -6.289 1.00 0.00 C ATOM 122 O GLU A 7 17.993 -52.006 -6.280 1.00 0.00 O ATOM 123 CB GLU A 7 20.257 -50.586 -7.791 1.00 0.00 C ATOM 124 CG GLU A 7 20.826 -50.210 -9.192 1.00 0.00 C ATOM 125 CD GLU A 7 22.324 -50.499 -9.304 1.00 0.00 C ATOM 126 OE1 GLU A 7 23.119 -49.714 -8.787 1.00 0.00 O ATOM 127 OE2 GLU A 7 22.678 -51.500 -9.921 1.00 0.00 O ATOM 0 H GLU A 7 19.468 -48.244 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 7 18.164 -50.638 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.848 -50.088 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.372 -51.659 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.292 -50.768 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.647 -49.152 -9.383 1.00 0.00 H new ATOM 134 N GLU A 8 18.064 -50.089 -5.170 1.00 0.00 N ATOM 135 CA GLU A 8 17.342 -50.582 -3.985 1.00 0.00 C ATOM 136 C GLU A 8 15.812 -50.686 -4.193 1.00 0.00 C ATOM 137 O GLU A 8 15.195 -51.650 -3.725 1.00 0.00 O ATOM 138 CB GLU A 8 17.737 -49.658 -2.789 1.00 0.00 C ATOM 139 CG GLU A 8 17.238 -50.056 -1.354 1.00 0.00 C ATOM 140 CD GLU A 8 15.968 -49.326 -0.894 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.980 -48.095 -0.741 1.00 0.00 O ATOM 142 OE2 GLU A 8 14.960 -49.997 -0.678 1.00 0.00 O ATOM 0 H GLU A 8 18.424 -49.141 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 8 17.636 -51.611 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.825 -49.597 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.367 -48.656 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.052 -51.130 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.035 -49.857 -0.638 1.00 0.00 H new ATOM 149 N GLU A 9 15.160 -49.726 -4.865 1.00 0.00 N ATOM 150 CA GLU A 9 13.720 -49.823 -5.194 1.00 0.00 C ATOM 151 C GLU A 9 13.426 -50.637 -6.455 1.00 0.00 C ATOM 152 O GLU A 9 12.649 -51.591 -6.422 1.00 0.00 O ATOM 153 CB GLU A 9 13.135 -48.402 -5.205 1.00 0.00 C ATOM 154 CG GLU A 9 13.302 -47.726 -3.801 1.00 0.00 C ATOM 155 CD GLU A 9 12.398 -48.248 -2.671 1.00 0.00 C ATOM 156 OE1 GLU A 9 11.984 -49.412 -2.637 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.164 -47.458 -1.763 1.00 0.00 O ATOM 0 H GLU A 9 15.604 -48.869 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 9 13.214 -50.403 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.636 -47.803 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.079 -48.440 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.340 -47.843 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.122 -46.657 -3.914 1.00 0.00 H new ATOM 164 N ALA A 10 14.039 -50.264 -7.567 1.00 0.00 N ATOM 165 CA ALA A 10 14.135 -51.119 -8.756 1.00 0.00 C ATOM 166 C ALA A 10 14.998 -52.407 -8.611 1.00 0.00 C ATOM 167 O ALA A 10 15.278 -53.055 -9.621 1.00 0.00 O ATOM 168 CB ALA A 10 14.565 -50.206 -9.917 1.00 0.00 C ATOM 0 H ALA A 10 14.489 -49.355 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 10 13.158 -51.563 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.652 -50.795 -10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.820 -49.423 -10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.528 -49.752 -9.685 1.00 0.00 H new ATOM 174 N ALA A 11 15.479 -52.826 -7.426 1.00 0.00 N ATOM 175 CA ALA A 11 15.667 -54.253 -7.111 1.00 0.00 C ATOM 176 C ALA A 11 14.343 -55.026 -7.026 1.00 0.00 C ATOM 177 O ALA A 11 14.212 -56.136 -7.551 1.00 0.00 O ATOM 178 CB ALA A 11 16.379 -54.423 -5.748 1.00 0.00 C ATOM 0 H ALA A 11 15.745 -52.195 -6.670 1.00 0.00 H new ATOM 0 HA ALA A 11 16.266 -54.655 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.508 -55.484 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.355 -53.939 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.776 -53.966 -4.963 1.00 0.00 H new ATOM 184 N LYS A 12 13.333 -54.409 -6.399 1.00 0.00 N ATOM 185 CA LYS A 12 12.091 -55.071 -6.011 1.00 0.00 C ATOM 186 C LYS A 12 11.121 -55.187 -7.210 1.00 0.00 C ATOM 187 O LYS A 12 9.978 -54.735 -7.180 1.00 0.00 O ATOM 188 CB LYS A 12 11.461 -54.290 -4.819 1.00 0.00 C ATOM 189 CG LYS A 12 12.402 -54.056 -3.612 1.00 0.00 C ATOM 190 CD LYS A 12 11.674 -53.301 -2.478 1.00 0.00 C ATOM 191 CE LYS A 12 12.610 -52.759 -1.389 1.00 0.00 C ATOM 192 NZ LYS A 12 13.296 -51.582 -1.912 1.00 0.00 N ATOM 0 H LYS A 12 13.361 -53.421 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 12 12.301 -56.092 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.115 -53.322 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.582 -54.834 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.767 -55.014 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.274 -53.485 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.115 -52.470 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.947 -53.970 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.042 -52.500 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.333 -53.521 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.008 -51.262 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.764 -51.823 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.606 -50.821 -2.075 1.00 0.00 H new ATOM 206 N TYR A 13 11.597 -55.835 -8.281 1.00 0.00 N ATOM 207 CA TYR A 13 10.839 -56.095 -9.510 1.00 0.00 C ATOM 208 C TYR A 13 9.638 -57.054 -9.338 1.00 0.00 C ATOM 209 O TYR A 13 8.783 -57.148 -10.219 1.00 0.00 O ATOM 210 CB TYR A 13 11.837 -56.567 -10.612 1.00 0.00 C ATOM 211 CG TYR A 13 12.164 -55.425 -11.593 1.00 0.00 C ATOM 212 CD1 TYR A 13 12.732 -54.221 -11.194 1.00 0.00 C ATOM 213 CD2 TYR A 13 11.826 -55.543 -12.932 1.00 0.00 C ATOM 214 CE1 TYR A 13 12.926 -53.186 -12.088 1.00 0.00 C ATOM 215 CE2 TYR A 13 12.019 -54.509 -13.828 1.00 0.00 C ATOM 216 CZ TYR A 13 12.553 -53.322 -13.400 1.00 0.00 C ATOM 217 OH TYR A 13 12.592 -52.260 -14.251 1.00 0.00 O ATOM 0 H TYR A 13 12.548 -56.203 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 13 10.364 -55.162 -9.813 1.00 0.00 H new ATOM 0 HB2 TYR A 13 12.755 -56.924 -10.146 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.409 -57.408 -11.158 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.028 -54.092 -10.163 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.399 -56.470 -13.285 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.375 -52.263 -11.751 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.749 -54.636 -14.866 1.00 0.00 H new ATOM 0 HH TYR A 13 12.836 -51.451 -13.754 1.00 0.00 H new ATOM 227 N LYS A 14 9.575 -57.782 -8.214 1.00 0.00 N ATOM 228 CA LYS A 14 8.336 -58.377 -7.702 1.00 0.00 C ATOM 229 C LYS A 14 7.267 -57.332 -7.306 1.00 0.00 C ATOM 230 O LYS A 14 6.072 -57.574 -7.495 1.00 0.00 O ATOM 231 CB LYS A 14 8.623 -59.359 -6.527 1.00 0.00 C ATOM 232 CG LYS A 14 9.570 -58.843 -5.415 1.00 0.00 C ATOM 233 CD LYS A 14 9.532 -59.758 -4.176 1.00 0.00 C ATOM 234 CE LYS A 14 10.506 -59.288 -3.090 1.00 0.00 C ATOM 235 NZ LYS A 14 9.983 -59.713 -1.795 1.00 0.00 N ATOM 0 H LYS A 14 10.390 -57.975 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 14 7.912 -58.943 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.672 -59.630 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.049 -60.273 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.589 -58.789 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.283 -57.831 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.520 -59.780 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.780 -60.778 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.496 -59.712 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.614 -58.204 -3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.521 -59.251 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.980 -59.447 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.074 -60.745 -1.705 1.00 0.00 H new ATOM 249 N TYR A 15 7.649 -56.154 -6.787 1.00 0.00 N ATOM 250 CA TYR A 15 6.707 -55.083 -6.449 1.00 0.00 C ATOM 251 C TYR A 15 6.740 -54.010 -7.561 1.00 0.00 C ATOM 252 O TYR A 15 7.235 -52.875 -7.442 1.00 0.00 O ATOM 253 CB TYR A 15 7.005 -54.499 -5.042 1.00 0.00 C ATOM 254 CG TYR A 15 7.096 -55.566 -3.935 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.223 -56.643 -3.842 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.123 -55.510 -3.010 1.00 0.00 C ATOM 257 CE1 TYR A 15 6.383 -57.627 -2.886 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.294 -56.489 -2.054 1.00 0.00 C ATOM 259 CZ TYR A 15 7.432 -57.554 -2.003 1.00 0.00 C ATOM 260 OH TYR A 15 7.676 -58.567 -1.124 1.00 0.00 O ATOM 0 H TYR A 15 8.622 -55.920 -6.591 1.00 0.00 H new ATOM 0 HA TYR A 15 5.695 -55.485 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.944 -53.946 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.224 -53.784 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.398 -56.713 -4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.810 -54.677 -3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.686 -58.450 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.106 -56.417 -1.346 1.00 0.00 H new ATOM 0 HH TYR A 15 7.178 -59.365 -1.398 1.00 0.00 H new ATOM 270 N ALA A 16 6.134 -54.490 -8.658 1.00 0.00 N ATOM 271 CA ALA A 16 6.090 -53.827 -9.958 1.00 0.00 C ATOM 272 C ALA A 16 5.524 -52.398 -9.922 1.00 0.00 C ATOM 273 O ALA A 16 6.114 -51.494 -10.510 1.00 0.00 O ATOM 274 CB ALA A 16 5.279 -54.724 -10.916 1.00 0.00 C ATOM 0 H ALA A 16 5.644 -55.385 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 16 7.115 -53.701 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.228 -54.254 -11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.765 -55.696 -11.003 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.270 -54.856 -10.524 1.00 0.00 H new ATOM 280 N MET A 17 4.430 -52.181 -9.182 1.00 0.00 N ATOM 281 CA MET A 17 3.828 -50.860 -8.994 1.00 0.00 C ATOM 282 C MET A 17 4.747 -49.901 -8.207 1.00 0.00 C ATOM 283 O MET A 17 4.783 -48.706 -8.495 1.00 0.00 O ATOM 284 CB MET A 17 2.452 -51.041 -8.293 1.00 0.00 C ATOM 285 CG MET A 17 1.567 -49.766 -8.199 1.00 0.00 C ATOM 286 SD MET A 17 0.969 -49.142 -9.795 1.00 0.00 S ATOM 287 CE MET A 17 1.818 -47.545 -9.911 1.00 0.00 C ATOM 0 H MET A 17 3.935 -52.927 -8.693 1.00 0.00 H new ATOM 0 HA MET A 17 3.686 -50.394 -9.969 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.893 -51.810 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.626 -51.415 -7.284 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.708 -49.982 -7.563 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.138 -48.979 -7.707 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.528 -47.045 -10.835 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.541 -46.923 -9.060 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.896 -47.705 -9.908 1.00 0.00 H new ATOM 297 N LEU A 18 5.553 -50.413 -7.266 1.00 0.00 N ATOM 298 CA LEU A 18 6.387 -49.585 -6.394 1.00 0.00 C ATOM 299 C LEU A 18 7.708 -49.192 -7.072 1.00 0.00 C ATOM 300 O LEU A 18 8.105 -48.024 -6.996 1.00 0.00 O ATOM 301 CB LEU A 18 6.586 -50.294 -5.029 1.00 0.00 C ATOM 302 CG LEU A 18 5.252 -50.684 -4.331 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.531 -51.421 -3.019 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.346 -49.473 -4.048 1.00 0.00 C ATOM 0 H LEU A 18 5.643 -51.414 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 18 5.873 -48.643 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.184 -51.193 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.155 -49.640 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 18 4.723 -51.336 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.587 -51.687 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.101 -52.327 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.104 -50.775 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.431 -49.809 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.868 -48.772 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.096 -48.978 -4.987 1.00 0.00 H new ATOM 316 N LYS A 19 8.412 -50.106 -7.757 1.00 0.00 N ATOM 317 CA LYS A 19 9.394 -49.660 -8.751 1.00 0.00 C ATOM 318 C LYS A 19 8.784 -48.804 -9.897 1.00 0.00 C ATOM 319 O LYS A 19 9.491 -47.931 -10.399 1.00 0.00 O ATOM 320 CB LYS A 19 10.231 -50.859 -9.276 1.00 0.00 C ATOM 321 CG LYS A 19 9.522 -51.867 -10.217 1.00 0.00 C ATOM 322 CD LYS A 19 9.682 -51.513 -11.713 1.00 0.00 C ATOM 323 CE LYS A 19 9.013 -52.510 -12.647 1.00 0.00 C ATOM 324 NZ LYS A 19 9.426 -52.150 -13.998 1.00 0.00 N ATOM 0 H LYS A 19 8.325 -51.116 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 19 10.072 -48.979 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.098 -50.460 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.607 -51.410 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.924 -52.865 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.461 -51.902 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.263 -50.523 -11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.744 -51.458 -11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.315 -53.530 -12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.928 -52.467 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.953 -52.773 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.163 -51.162 -14.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.457 -52.257 -14.086 1.00 0.00 H new ATOM 338 N LYS A 20 7.533 -48.973 -10.378 1.00 0.00 N ATOM 339 CA LYS A 20 6.902 -47.975 -11.260 1.00 0.00 C ATOM 340 C LYS A 20 6.664 -46.619 -10.562 1.00 0.00 C ATOM 341 O LYS A 20 6.728 -45.603 -11.252 1.00 0.00 O ATOM 342 CB LYS A 20 5.595 -48.471 -11.924 1.00 0.00 C ATOM 343 CG LYS A 20 5.838 -49.500 -13.044 1.00 0.00 C ATOM 344 CD LYS A 20 4.508 -49.941 -13.682 1.00 0.00 C ATOM 345 CE LYS A 20 4.735 -50.980 -14.774 1.00 0.00 C ATOM 346 NZ LYS A 20 3.431 -51.334 -15.317 1.00 0.00 N ATOM 0 H LYS A 20 6.948 -49.783 -10.172 1.00 0.00 H new ATOM 0 HA LYS A 20 7.632 -47.823 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.954 -48.916 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.056 -47.617 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.486 -49.068 -13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.358 -50.368 -12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.853 -50.354 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.999 -49.074 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.381 -50.580 -15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.234 -51.860 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.549 -52.044 -16.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.835 -51.726 -14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.977 -50.485 -15.711 1.00 0.00 H new ATOM 360 N CYS A 21 6.396 -46.543 -9.244 1.00 0.00 N ATOM 361 CA CYS A 21 6.508 -45.290 -8.478 1.00 0.00 C ATOM 362 C CYS A 21 7.924 -44.666 -8.512 1.00 0.00 C ATOM 363 O CYS A 21 8.037 -43.439 -8.601 1.00 0.00 O ATOM 364 CB CYS A 21 6.057 -45.506 -7.023 1.00 0.00 C ATOM 365 SG CYS A 21 4.286 -45.834 -6.814 1.00 0.00 S ATOM 0 H CYS A 21 6.098 -47.343 -8.685 1.00 0.00 H new ATOM 0 HA CYS A 21 5.846 -44.576 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.618 -46.341 -6.604 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.319 -44.622 -6.442 1.00 0.00 H new ATOM 370 N CYS A 22 8.998 -45.484 -8.461 1.00 0.00 N ATOM 371 CA CYS A 22 10.353 -45.058 -8.881 1.00 0.00 C ATOM 372 C CYS A 22 10.347 -44.424 -10.264 1.00 0.00 C ATOM 373 O CYS A 22 10.838 -43.311 -10.447 1.00 0.00 O ATOM 374 CB CYS A 22 11.446 -46.147 -8.649 1.00 0.00 C ATOM 375 SG CYS A 22 12.960 -45.559 -7.829 1.00 0.00 S ATOM 0 H CYS A 22 8.953 -46.448 -8.131 1.00 0.00 H new ATOM 0 HA CYS A 22 10.660 -44.257 -8.209 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.016 -46.950 -8.050 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.717 -46.578 -9.613 1.00 0.00 H new ATOM 380 N TYR A 23 9.734 -45.076 -11.233 1.00 0.00 N ATOM 381 CA TYR A 23 9.750 -44.569 -12.596 1.00 0.00 C ATOM 382 C TYR A 23 8.834 -43.340 -12.817 1.00 0.00 C ATOM 383 O TYR A 23 9.162 -42.484 -13.644 1.00 0.00 O ATOM 384 CB TYR A 23 9.574 -45.777 -13.509 1.00 0.00 C ATOM 385 CG TYR A 23 10.639 -46.886 -13.263 1.00 0.00 C ATOM 386 CD1 TYR A 23 11.729 -46.851 -12.360 1.00 0.00 C ATOM 387 CD2 TYR A 23 10.537 -48.000 -14.075 1.00 0.00 C ATOM 388 CE1 TYR A 23 12.658 -47.880 -12.353 1.00 0.00 C ATOM 389 CE2 TYR A 23 11.461 -49.021 -14.054 1.00 0.00 C ATOM 390 CZ TYR A 23 12.523 -48.960 -13.197 1.00 0.00 C ATOM 391 OH TYR A 23 13.430 -49.976 -13.213 1.00 0.00 O ATOM 0 H TYR A 23 9.223 -45.950 -11.107 1.00 0.00 H new ATOM 0 HA TYR A 23 10.703 -44.108 -12.856 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.579 -46.197 -13.359 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.630 -45.452 -14.548 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.837 -46.022 -11.676 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.699 -48.073 -14.753 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.499 -47.834 -11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.346 -49.868 -14.714 1.00 0.00 H new ATOM 0 HH TYR A 23 14.245 -49.694 -12.748 1.00 0.00 H new ATOM 401 N ASP A 24 7.732 -43.202 -12.055 1.00 0.00 N ATOM 402 CA ASP A 24 6.999 -41.935 -11.892 1.00 0.00 C ATOM 403 C ASP A 24 7.871 -40.800 -11.317 1.00 0.00 C ATOM 404 O ASP A 24 7.746 -39.659 -11.763 1.00 0.00 O ATOM 405 CB ASP A 24 5.728 -42.106 -11.007 1.00 0.00 C ATOM 406 CG ASP A 24 4.699 -43.083 -11.574 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.415 -43.042 -12.771 1.00 0.00 O ATOM 408 OD2 ASP A 24 4.154 -43.850 -10.786 1.00 0.00 O ATOM 0 H ASP A 24 7.323 -43.975 -11.531 1.00 0.00 H new ATOM 0 HA ASP A 24 6.699 -41.651 -12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.031 -42.448 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.255 -41.132 -10.877 1.00 0.00 H new ATOM 413 N GLY A 25 8.727 -41.093 -10.323 1.00 0.00 N ATOM 414 CA GLY A 25 9.747 -40.154 -9.834 1.00 0.00 C ATOM 415 C GLY A 25 10.846 -39.818 -10.850 1.00 0.00 C ATOM 416 O GLY A 25 11.179 -38.643 -11.015 1.00 0.00 O ATOM 0 H GLY A 25 8.730 -41.989 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.255 -39.229 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.211 -40.575 -8.942 1.00 0.00 H new ATOM 420 N ALA A 26 11.411 -40.838 -11.517 1.00 0.00 N ATOM 421 CA ALA A 26 12.425 -40.676 -12.566 1.00 0.00 C ATOM 422 C ALA A 26 11.952 -39.842 -13.775 1.00 0.00 C ATOM 423 O ALA A 26 12.759 -39.126 -14.377 1.00 0.00 O ATOM 424 CB ALA A 26 12.917 -42.062 -13.025 1.00 0.00 C ATOM 0 H ALA A 26 11.170 -41.813 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 26 13.244 -40.109 -12.123 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.670 -41.941 -13.804 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.353 -42.592 -12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.077 -42.634 -13.418 1.00 0.00 H new ATOM 430 N TYR A 27 10.668 -39.920 -14.161 1.00 0.00 N ATOM 431 CA TYR A 27 10.063 -38.921 -15.048 1.00 0.00 C ATOM 432 C TYR A 27 9.955 -37.529 -14.378 1.00 0.00 C ATOM 433 O TYR A 27 8.977 -37.173 -13.711 1.00 0.00 O ATOM 434 CB TYR A 27 8.695 -39.420 -15.589 1.00 0.00 C ATOM 435 CG TYR A 27 8.889 -40.387 -16.768 1.00 0.00 C ATOM 436 CD1 TYR A 27 9.025 -41.750 -16.576 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.937 -39.924 -18.073 1.00 0.00 C ATOM 438 CE1 TYR A 27 9.203 -42.618 -17.635 1.00 0.00 C ATOM 439 CE2 TYR A 27 9.114 -40.784 -19.141 1.00 0.00 C ATOM 440 CZ TYR A 27 9.247 -42.133 -18.917 1.00 0.00 C ATOM 441 OH TYR A 27 9.424 -42.996 -19.949 1.00 0.00 O ATOM 0 H TYR A 27 10.033 -40.664 -13.872 1.00 0.00 H new ATOM 0 HA TYR A 27 10.729 -38.793 -15.901 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.145 -39.919 -14.791 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.093 -38.569 -15.907 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.991 -42.146 -15.572 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.834 -38.865 -18.261 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.307 -43.678 -17.454 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.148 -40.396 -20.149 1.00 0.00 H new ATOM 0 HH TYR A 27 9.432 -42.499 -20.794 1.00 0.00 H new ATOM 451 N ARG A 28 11.059 -36.779 -14.511 1.00 0.00 N ATOM 452 CA ARG A 28 11.149 -35.353 -14.179 1.00 0.00 C ATOM 453 C ARG A 28 10.107 -34.486 -14.922 1.00 0.00 C ATOM 454 O ARG A 28 9.985 -34.522 -16.150 1.00 0.00 O ATOM 455 CB ARG A 28 12.598 -34.893 -14.528 1.00 0.00 C ATOM 456 CG ARG A 28 12.999 -33.421 -14.212 1.00 0.00 C ATOM 457 CD ARG A 28 12.901 -32.984 -12.732 1.00 0.00 C ATOM 458 NE ARG A 28 11.817 -32.006 -12.615 1.00 0.00 N ATOM 459 CZ ARG A 28 11.432 -31.434 -11.507 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.054 -31.465 -10.389 1.00 0.00 N ATOM 461 NH2 ARG A 28 10.363 -30.746 -11.543 1.00 0.00 N ATOM 0 H ARG A 28 11.937 -37.160 -14.862 1.00 0.00 H new ATOM 0 HA ARG A 28 10.929 -35.221 -13.120 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.291 -35.548 -14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.752 -35.059 -15.594 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.025 -33.267 -14.546 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.368 -32.760 -14.806 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.706 -33.846 -12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.844 -32.548 -12.401 1.00 0.00 H new ATOM 0 HE ARG A 28 11.322 -31.751 -13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.936 -31.971 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.668 -30.983 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.842 -30.658 -12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.026 -30.282 -10.699 1.00 0.00 H new ATOM 475 N ASN A 29 9.319 -33.723 -14.155 1.00 0.00 N ATOM 476 CA ASN A 29 8.396 -32.731 -14.715 1.00 0.00 C ATOM 477 C ASN A 29 9.093 -31.362 -14.947 1.00 0.00 C ATOM 478 O ASN A 29 10.291 -31.214 -14.681 1.00 0.00 O ATOM 479 CB ASN A 29 7.155 -32.628 -13.774 1.00 0.00 C ATOM 480 CG ASN A 29 7.473 -31.873 -12.484 1.00 0.00 C ATOM 481 OD1 ASN A 29 7.359 -30.655 -12.438 1.00 0.00 O ATOM 482 ND2 ASN A 29 7.913 -32.494 -11.407 1.00 0.00 N ATOM 0 H ASN A 29 9.303 -33.776 -13.136 1.00 0.00 H new ATOM 0 HA ASN A 29 8.062 -33.051 -15.702 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.344 -32.123 -14.298 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.802 -33.630 -13.530 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.146 -31.960 -10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.020 -33.508 -11.411 1.00 0.00 H new ATOM 489 N ASP A 30 8.333 -30.340 -15.371 1.00 0.00 N ATOM 490 CA ASP A 30 8.831 -28.991 -15.670 1.00 0.00 C ATOM 491 C ASP A 30 9.528 -28.273 -14.486 1.00 0.00 C ATOM 492 O ASP A 30 10.757 -28.287 -14.442 1.00 0.00 O ATOM 493 CB ASP A 30 7.666 -28.152 -16.293 1.00 0.00 C ATOM 494 CG ASP A 30 6.386 -28.238 -15.460 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.263 -27.475 -14.503 1.00 0.00 O ATOM 496 OD2 ASP A 30 5.577 -29.119 -15.737 1.00 0.00 O ATOM 0 H ASP A 30 7.328 -30.433 -15.519 1.00 0.00 H new ATOM 0 HA ASP A 30 9.638 -29.094 -16.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.975 -27.110 -16.376 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.465 -28.507 -17.304 1.00 0.00 H new ATOM 501 N ASP A 31 8.848 -27.626 -13.526 1.00 0.00 N ATOM 502 CA ASP A 31 9.500 -26.985 -12.373 1.00 0.00 C ATOM 503 C ASP A 31 8.800 -27.238 -11.016 1.00 0.00 C ATOM 504 O ASP A 31 9.163 -26.620 -10.012 1.00 0.00 O ATOM 505 CB ASP A 31 9.655 -25.453 -12.641 1.00 0.00 C ATOM 506 CG ASP A 31 10.580 -25.156 -13.821 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.777 -25.435 -13.730 1.00 0.00 O ATOM 508 OD2 ASP A 31 10.085 -24.662 -14.830 1.00 0.00 O ATOM 0 H ASP A 31 7.832 -27.533 -13.527 1.00 0.00 H new ATOM 0 HA ASP A 31 10.479 -27.454 -12.277 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.674 -25.020 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.046 -24.969 -11.746 1.00 0.00 H new ATOM 513 N GLU A 32 7.802 -28.132 -10.946 1.00 0.00 N ATOM 514 CA GLU A 32 7.153 -28.527 -9.691 1.00 0.00 C ATOM 515 C GLU A 32 8.069 -29.415 -8.808 1.00 0.00 C ATOM 516 O GLU A 32 8.888 -30.198 -9.312 1.00 0.00 O ATOM 517 CB GLU A 32 5.798 -29.194 -10.063 1.00 0.00 C ATOM 518 CG GLU A 32 4.965 -29.727 -8.863 1.00 0.00 C ATOM 519 CD GLU A 32 3.562 -30.199 -9.246 1.00 0.00 C ATOM 520 OE1 GLU A 32 3.415 -31.172 -9.988 1.00 0.00 O ATOM 521 OE2 GLU A 32 2.586 -29.637 -8.752 1.00 0.00 O ATOM 0 H GLU A 32 7.421 -28.604 -11.766 1.00 0.00 H new ATOM 0 HA GLU A 32 6.961 -27.655 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.194 -28.470 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.995 -30.023 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.502 -30.554 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.881 -28.940 -8.113 1.00 0.00 H new ATOM 528 N THR A 33 7.960 -29.278 -7.478 1.00 0.00 N ATOM 529 CA THR A 33 8.776 -30.031 -6.513 1.00 0.00 C ATOM 530 C THR A 33 8.251 -31.456 -6.229 1.00 0.00 C ATOM 531 O THR A 33 7.068 -31.770 -6.408 1.00 0.00 O ATOM 532 CB THR A 33 8.926 -29.263 -5.170 1.00 0.00 C ATOM 533 OG1 THR A 33 7.656 -29.011 -4.590 1.00 0.00 O ATOM 534 CG2 THR A 33 9.578 -27.893 -5.317 1.00 0.00 C ATOM 0 H THR A 33 7.299 -28.637 -7.039 1.00 0.00 H new ATOM 0 HA THR A 33 9.750 -30.133 -6.991 1.00 0.00 H new ATOM 0 HB THR A 33 9.553 -29.910 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.726 -29.062 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.649 -27.417 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.577 -28.009 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.975 -27.272 -5.980 1.00 0.00 H new ATOM 542 N CYS A 34 9.165 -32.313 -5.742 1.00 0.00 N ATOM 543 CA CYS A 34 8.933 -33.745 -5.525 1.00 0.00 C ATOM 544 C CYS A 34 7.801 -34.055 -4.532 1.00 0.00 C ATOM 545 O CYS A 34 6.868 -34.784 -4.870 1.00 0.00 O ATOM 546 CB CYS A 34 10.238 -34.432 -5.034 1.00 0.00 C ATOM 547 SG CYS A 34 11.621 -34.397 -6.202 1.00 0.00 S ATOM 0 H CYS A 34 10.107 -32.019 -5.483 1.00 0.00 H new ATOM 0 HA CYS A 34 8.622 -34.140 -6.492 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.555 -33.952 -4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.013 -35.471 -4.794 1.00 0.00 H new ATOM 552 N GLU A 35 7.870 -33.488 -3.320 1.00 0.00 N ATOM 553 CA GLU A 35 6.867 -33.709 -2.275 1.00 0.00 C ATOM 554 C GLU A 35 5.500 -33.064 -2.579 1.00 0.00 C ATOM 555 O GLU A 35 4.502 -33.503 -2.019 1.00 0.00 O ATOM 556 CB GLU A 35 7.426 -33.246 -0.889 1.00 0.00 C ATOM 557 CG GLU A 35 7.481 -31.699 -0.577 1.00 0.00 C ATOM 558 CD GLU A 35 8.204 -30.846 -1.628 1.00 0.00 C ATOM 559 OE1 GLU A 35 9.275 -31.229 -2.103 1.00 0.00 O ATOM 560 OE2 GLU A 35 7.655 -29.816 -2.017 1.00 0.00 O ATOM 0 H GLU A 35 8.625 -32.863 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 35 6.675 -34.781 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.823 -33.719 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.438 -33.640 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.461 -31.329 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.973 -31.556 0.385 1.00 0.00 H new ATOM 567 N GLU A 36 5.421 -32.043 -3.446 1.00 0.00 N ATOM 568 CA GLU A 36 4.156 -31.459 -3.897 1.00 0.00 C ATOM 569 C GLU A 36 3.420 -32.408 -4.866 1.00 0.00 C ATOM 570 O GLU A 36 2.270 -32.801 -4.606 1.00 0.00 O ATOM 571 CB GLU A 36 4.478 -30.074 -4.512 1.00 0.00 C ATOM 572 CG GLU A 36 3.249 -29.272 -5.038 1.00 0.00 C ATOM 573 CD GLU A 36 3.623 -27.844 -5.452 1.00 0.00 C ATOM 574 OE1 GLU A 36 4.415 -27.672 -6.378 1.00 0.00 O ATOM 575 OE2 GLU A 36 3.107 -26.916 -4.836 1.00 0.00 O ATOM 0 H GLU A 36 6.243 -31.598 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 36 3.466 -31.320 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.988 -29.472 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.177 -30.215 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.815 -29.794 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.483 -29.235 -4.263 1.00 0.00 H new ATOM 582 N ARG A 37 4.098 -32.835 -5.949 1.00 0.00 N ATOM 583 CA ARG A 37 3.529 -33.852 -6.832 1.00 0.00 C ATOM 584 C ARG A 37 3.361 -35.204 -6.122 1.00 0.00 C ATOM 585 O ARG A 37 2.346 -35.854 -6.355 1.00 0.00 O ATOM 586 CB ARG A 37 4.230 -33.999 -8.207 1.00 0.00 C ATOM 587 CG ARG A 37 5.703 -34.460 -8.251 1.00 0.00 C ATOM 588 CD ARG A 37 6.063 -34.816 -9.699 1.00 0.00 C ATOM 589 NE ARG A 37 7.463 -35.243 -9.766 1.00 0.00 N ATOM 590 CZ ARG A 37 8.013 -35.904 -10.750 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.427 -36.191 -11.850 1.00 0.00 N ATOM 592 NH2 ARG A 37 9.222 -36.284 -10.634 1.00 0.00 N ATOM 0 H ARG A 37 5.020 -32.496 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 37 2.536 -33.473 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.647 -34.704 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.172 -33.034 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.357 -33.670 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.848 -35.324 -7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.412 -35.611 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.904 -33.954 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 37 8.061 -35.003 -8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.462 -35.899 -12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.925 -36.712 -12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.744 -36.071 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.669 -36.801 -11.391 1.00 0.00 H new ATOM 606 N ALA A 38 4.263 -35.673 -5.252 1.00 0.00 N ATOM 607 CA ALA A 38 4.021 -36.891 -4.480 1.00 0.00 C ATOM 608 C ALA A 38 3.235 -36.729 -3.153 1.00 0.00 C ATOM 609 O ALA A 38 3.074 -37.697 -2.410 1.00 0.00 O ATOM 610 CB ALA A 38 5.326 -37.665 -4.411 1.00 0.00 C ATOM 0 H ALA A 38 5.162 -35.228 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 38 3.286 -37.498 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.176 -38.581 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.654 -37.916 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.086 -37.054 -3.924 1.00 0.00 H new ATOM 616 N ALA A 39 2.752 -35.532 -2.782 1.00 0.00 N ATOM 617 CA ALA A 39 1.513 -35.390 -2.006 1.00 0.00 C ATOM 618 C ALA A 39 0.249 -35.653 -2.851 1.00 0.00 C ATOM 619 O ALA A 39 -0.780 -36.075 -2.316 1.00 0.00 O ATOM 620 CB ALA A 39 1.442 -33.987 -1.373 1.00 0.00 C ATOM 0 H ALA A 39 3.204 -34.646 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 39 1.539 -36.148 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.520 -33.893 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.296 -33.843 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.460 -33.232 -2.159 1.00 0.00 H new ATOM 626 N ARG A 40 0.277 -35.336 -4.155 1.00 0.00 N ATOM 627 CA ARG A 40 -0.746 -35.798 -5.109 1.00 0.00 C ATOM 628 C ARG A 40 -0.664 -37.326 -5.390 1.00 0.00 C ATOM 629 O ARG A 40 -1.699 -37.995 -5.427 1.00 0.00 O ATOM 630 CB ARG A 40 -0.567 -34.938 -6.382 1.00 0.00 C ATOM 631 CG ARG A 40 -1.639 -35.023 -7.491 1.00 0.00 C ATOM 632 CD ARG A 40 -1.164 -34.279 -8.761 1.00 0.00 C ATOM 633 NE ARG A 40 -0.883 -32.876 -8.433 1.00 0.00 N ATOM 634 CZ ARG A 40 0.165 -32.183 -8.795 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.062 -32.595 -9.613 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.299 -31.013 -8.305 1.00 0.00 N ATOM 0 H ARG A 40 1.003 -34.757 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.746 -35.668 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.496 -33.896 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.392 -35.203 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.843 -36.067 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.573 -34.589 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.269 -34.756 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.929 -34.336 -9.536 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.577 -32.392 -7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.985 -33.523 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.853 -31.995 -9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.398 -30.649 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.103 -30.441 -8.563 1.00 0.00 H new ATOM 650 N ILE A 41 0.526 -37.914 -5.623 1.00 0.00 N ATOM 651 CA ILE A 41 0.758 -39.368 -5.659 1.00 0.00 C ATOM 652 C ILE A 41 0.701 -40.038 -4.263 1.00 0.00 C ATOM 653 O ILE A 41 1.656 -40.296 -3.530 1.00 0.00 O ATOM 654 CB ILE A 41 1.996 -39.796 -6.518 1.00 0.00 C ATOM 655 CG1 ILE A 41 1.870 -39.320 -7.982 1.00 0.00 C ATOM 656 CG2 ILE A 41 2.183 -41.288 -6.559 1.00 0.00 C ATOM 657 CD1 ILE A 41 2.840 -38.182 -8.163 1.00 0.00 C ATOM 0 H ILE A 41 1.374 -37.374 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.098 -39.772 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 41 2.850 -39.327 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.097 -40.133 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.851 -38.996 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.055 -41.529 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.332 -41.664 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.298 -41.754 -6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.783 -37.815 -9.188 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.588 -37.376 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.852 -38.531 -7.958 1.00 0.00 H new ATOM 669 N LYS A 42 -0.564 -40.332 -4.002 1.00 0.00 N ATOM 670 CA LYS A 42 -1.090 -40.917 -2.760 1.00 0.00 C ATOM 671 C LYS A 42 -1.197 -42.460 -2.722 1.00 0.00 C ATOM 672 O LYS A 42 -1.837 -42.999 -1.817 1.00 0.00 O ATOM 673 CB LYS A 42 -2.482 -40.287 -2.469 1.00 0.00 C ATOM 674 CG LYS A 42 -2.400 -38.883 -1.847 1.00 0.00 C ATOM 675 CD LYS A 42 -3.807 -38.314 -1.571 1.00 0.00 C ATOM 676 CE LYS A 42 -3.800 -36.956 -0.857 1.00 0.00 C ATOM 677 NZ LYS A 42 -3.245 -35.939 -1.742 1.00 0.00 N ATOM 0 H LYS A 42 -1.301 -40.162 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.354 -40.681 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.049 -40.232 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.036 -40.942 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.833 -38.927 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.860 -38.216 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.339 -38.213 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.365 -39.029 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.814 -36.683 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.210 -37.018 0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.410 -34.997 -1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.222 -36.094 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.706 -36.000 -2.672 1.00 0.00 H new ATOM 691 N ILE A 43 -0.572 -43.194 -3.655 1.00 0.00 N ATOM 692 CA ILE A 43 -0.774 -44.644 -3.831 1.00 0.00 C ATOM 693 C ILE A 43 -0.290 -45.498 -2.633 1.00 0.00 C ATOM 694 O ILE A 43 -0.951 -46.478 -2.279 1.00 0.00 O ATOM 695 CB ILE A 43 -0.150 -45.089 -5.202 1.00 0.00 C ATOM 696 CG1 ILE A 43 -0.719 -44.328 -6.443 1.00 0.00 C ATOM 697 CG2 ILE A 43 -0.188 -46.615 -5.472 1.00 0.00 C ATOM 698 CD1 ILE A 43 -2.241 -44.457 -6.708 1.00 0.00 C ATOM 0 H ILE A 43 0.095 -42.796 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.847 -44.832 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 43 0.895 -44.804 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.483 -43.270 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.190 -44.680 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.265 -46.824 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.367 -47.136 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.222 -46.959 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.506 -43.883 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.496 -45.505 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.793 -44.074 -5.850 1.00 0.00 H new ATOM 710 N GLY A 44 0.829 -45.153 -1.977 1.00 0.00 N ATOM 711 CA GLY A 44 1.259 -45.835 -0.746 1.00 0.00 C ATOM 712 C GLY A 44 2.563 -45.305 -0.108 1.00 0.00 C ATOM 713 O GLY A 44 3.322 -44.633 -0.816 1.00 0.00 O ATOM 0 H GLY A 44 1.453 -44.405 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.458 -45.757 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.388 -46.895 -0.966 1.00 0.00 H new ATOM 717 N PRO A 45 2.888 -45.574 1.186 1.00 0.00 N ATOM 718 CA PRO A 45 4.155 -45.182 1.848 1.00 0.00 C ATOM 719 C PRO A 45 5.450 -45.597 1.116 1.00 0.00 C ATOM 720 O PRO A 45 6.349 -44.778 0.901 1.00 0.00 O ATOM 721 CB PRO A 45 4.064 -45.861 3.227 1.00 0.00 C ATOM 722 CG PRO A 45 2.579 -45.823 3.504 1.00 0.00 C ATOM 723 CD PRO A 45 1.985 -46.212 2.153 1.00 0.00 C ATOM 0 HA PRO A 45 4.239 -44.096 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.448 -46.881 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.633 -45.322 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.294 -46.523 4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.250 -44.834 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.957 -47.294 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.962 -45.852 2.045 1.00 0.00 H new ATOM 731 N LYS A 46 5.520 -46.875 0.715 1.00 0.00 N ATOM 732 CA LYS A 46 6.611 -47.416 -0.099 1.00 0.00 C ATOM 733 C LYS A 46 6.680 -46.800 -1.514 1.00 0.00 C ATOM 734 O LYS A 46 7.765 -46.699 -2.093 1.00 0.00 O ATOM 735 CB LYS A 46 6.485 -48.953 -0.182 1.00 0.00 C ATOM 736 CG LYS A 46 6.705 -49.678 1.163 1.00 0.00 C ATOM 737 CD LYS A 46 6.585 -51.203 0.977 1.00 0.00 C ATOM 738 CE LYS A 46 6.813 -51.955 2.284 1.00 0.00 C ATOM 739 NZ LYS A 46 6.684 -53.377 2.000 1.00 0.00 N ATOM 0 H LYS A 46 4.810 -47.568 0.952 1.00 0.00 H new ATOM 0 HA LYS A 46 7.544 -47.145 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.495 -49.205 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.208 -49.327 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.689 -49.430 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.971 -49.335 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.596 -51.444 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.310 -51.536 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.801 -51.733 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.086 -51.647 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.834 -53.921 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.732 -53.572 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.394 -53.656 1.293 1.00 0.00 H new ATOM 753 N CYS A 47 5.527 -46.365 -2.050 1.00 0.00 N ATOM 754 CA CYS A 47 5.446 -45.624 -3.307 1.00 0.00 C ATOM 755 C CYS A 47 6.065 -44.225 -3.166 1.00 0.00 C ATOM 756 O CYS A 47 6.976 -43.940 -3.943 1.00 0.00 O ATOM 757 CB CYS A 47 3.982 -45.557 -3.810 1.00 0.00 C ATOM 758 SG CYS A 47 3.725 -44.594 -5.325 1.00 0.00 S ATOM 0 H CYS A 47 4.619 -46.523 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 47 6.028 -46.159 -4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.627 -46.573 -3.981 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.363 -45.132 -3.020 1.00 0.00 H new ATOM 763 N VAL A 48 5.620 -43.357 -2.230 1.00 0.00 N ATOM 764 CA VAL A 48 6.318 -42.105 -1.902 1.00 0.00 C ATOM 765 C VAL A 48 7.832 -42.259 -1.665 1.00 0.00 C ATOM 766 O VAL A 48 8.603 -41.436 -2.148 1.00 0.00 O ATOM 767 CB VAL A 48 5.720 -41.337 -0.672 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.513 -39.895 -1.073 1.00 0.00 C ATOM 769 CG2 VAL A 48 4.379 -41.816 -0.136 1.00 0.00 C ATOM 0 H VAL A 48 4.771 -43.508 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 48 6.157 -41.520 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 48 6.446 -41.508 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.097 -39.340 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.469 -39.456 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.824 -39.847 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.084 -41.198 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.626 -41.740 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.465 -42.854 0.184 1.00 0.00 H new ATOM 779 N LYS A 49 8.255 -43.294 -0.927 1.00 0.00 N ATOM 780 CA LYS A 49 9.674 -43.651 -0.751 1.00 0.00 C ATOM 781 C LYS A 49 10.442 -43.963 -2.071 1.00 0.00 C ATOM 782 O LYS A 49 11.458 -43.302 -2.331 1.00 0.00 O ATOM 783 CB LYS A 49 9.685 -44.781 0.316 1.00 0.00 C ATOM 784 CG LYS A 49 10.954 -45.616 0.555 1.00 0.00 C ATOM 785 CD LYS A 49 12.218 -44.868 1.026 1.00 0.00 C ATOM 786 CE LYS A 49 13.406 -45.835 1.168 1.00 0.00 C ATOM 787 NZ LYS A 49 13.830 -46.276 -0.162 1.00 0.00 N ATOM 0 H LYS A 49 7.617 -43.915 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 49 10.252 -42.796 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.415 -44.326 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.886 -45.476 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.720 -46.381 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.196 -46.135 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.467 -44.082 0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.023 -44.382 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.232 -45.342 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.120 -46.694 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.694 -46.848 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.077 -46.848 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.021 -45.446 -0.759 1.00 0.00 H new ATOM 801 N ALA A 50 9.989 -44.906 -2.924 1.00 0.00 N ATOM 802 CA ALA A 50 10.512 -45.127 -4.292 1.00 0.00 C ATOM 803 C ALA A 50 10.472 -43.838 -5.146 1.00 0.00 C ATOM 804 O ALA A 50 11.485 -43.471 -5.753 1.00 0.00 O ATOM 805 CB ALA A 50 9.682 -46.267 -4.928 1.00 0.00 C ATOM 0 H ALA A 50 9.235 -45.548 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 50 11.564 -45.409 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.041 -46.458 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.788 -47.172 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.632 -45.976 -4.964 1.00 0.00 H new ATOM 811 N PHE A 51 9.334 -43.121 -5.112 1.00 0.00 N ATOM 812 CA PHE A 51 9.134 -41.837 -5.789 1.00 0.00 C ATOM 813 C PHE A 51 10.180 -40.791 -5.369 1.00 0.00 C ATOM 814 O PHE A 51 10.896 -40.293 -6.235 1.00 0.00 O ATOM 815 CB PHE A 51 7.705 -41.316 -5.446 1.00 0.00 C ATOM 816 CG PHE A 51 7.163 -40.300 -6.457 1.00 0.00 C ATOM 817 CD1 PHE A 51 7.741 -39.055 -6.652 1.00 0.00 C ATOM 818 CD2 PHE A 51 6.138 -40.658 -7.306 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.345 -38.226 -7.678 1.00 0.00 C ATOM 820 CE2 PHE A 51 5.736 -39.841 -8.324 1.00 0.00 C ATOM 821 CZ PHE A 51 6.347 -38.625 -8.531 1.00 0.00 C ATOM 0 H PHE A 51 8.509 -43.431 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 51 9.246 -41.992 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.021 -42.163 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.722 -40.858 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.522 -38.727 -5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.641 -41.606 -7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.819 -37.265 -7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.931 -40.152 -8.973 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.045 -37.994 -9.354 1.00 0.00 H new ATOM 831 N LYS A 52 10.277 -40.469 -4.069 1.00 0.00 N ATOM 832 CA LYS A 52 11.205 -39.472 -3.529 1.00 0.00 C ATOM 833 C LYS A 52 12.672 -39.814 -3.834 1.00 0.00 C ATOM 834 O LYS A 52 13.419 -38.918 -4.237 1.00 0.00 O ATOM 835 CB LYS A 52 10.912 -39.322 -2.002 1.00 0.00 C ATOM 836 CG LYS A 52 11.819 -38.395 -1.137 1.00 0.00 C ATOM 837 CD LYS A 52 13.076 -39.067 -0.523 1.00 0.00 C ATOM 838 CE LYS A 52 12.786 -40.099 0.571 1.00 0.00 C ATOM 839 NZ LYS A 52 14.011 -40.863 0.766 1.00 0.00 N ATOM 0 H LYS A 52 9.698 -40.906 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 52 11.046 -38.511 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.887 -38.966 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.949 -40.319 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.142 -37.556 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.218 -37.982 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.637 -39.553 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.719 -38.291 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.486 -39.607 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.965 -40.753 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.796 -41.736 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.420 -41.106 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.693 -40.294 1.307 1.00 0.00 H new ATOM 853 N ASP A 53 13.080 -41.092 -3.693 1.00 0.00 N ATOM 854 CA ASP A 53 14.439 -41.510 -4.049 1.00 0.00 C ATOM 855 C ASP A 53 14.754 -41.288 -5.542 1.00 0.00 C ATOM 856 O ASP A 53 15.692 -40.545 -5.861 1.00 0.00 O ATOM 857 CB ASP A 53 14.662 -42.988 -3.625 1.00 0.00 C ATOM 858 CG ASP A 53 14.715 -43.217 -2.107 1.00 0.00 C ATOM 859 OD1 ASP A 53 14.697 -42.278 -1.305 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.827 -44.382 -1.708 1.00 0.00 O ATOM 0 H ASP A 53 12.488 -41.843 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 53 15.139 -40.879 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.861 -43.597 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.594 -43.342 -4.065 1.00 0.00 H new ATOM 865 N CYS A 54 13.973 -41.876 -6.462 1.00 0.00 N ATOM 866 CA CYS A 54 14.116 -41.607 -7.895 1.00 0.00 C ATOM 867 C CYS A 54 13.878 -40.137 -8.321 1.00 0.00 C ATOM 868 O CYS A 54 14.483 -39.710 -9.307 1.00 0.00 O ATOM 869 CB CYS A 54 13.228 -42.569 -8.690 1.00 0.00 C ATOM 870 SG CYS A 54 13.906 -44.222 -9.016 1.00 0.00 S ATOM 0 H CYS A 54 13.235 -42.542 -6.234 1.00 0.00 H new ATOM 0 HA CYS A 54 15.167 -41.781 -8.128 1.00 0.00 H new ATOM 0 HB2 CYS A 54 12.287 -42.687 -8.152 1.00 0.00 H new ATOM 0 HB3 CYS A 54 12.992 -42.103 -9.647 1.00 0.00 H new ATOM 875 N CYS A 55 13.035 -39.342 -7.636 1.00 0.00 N ATOM 876 CA CYS A 55 12.918 -37.892 -7.859 1.00 0.00 C ATOM 877 C CYS A 55 14.205 -37.128 -7.475 1.00 0.00 C ATOM 878 O CYS A 55 14.590 -36.182 -8.171 1.00 0.00 O ATOM 879 CB CYS A 55 11.690 -37.341 -7.092 1.00 0.00 C ATOM 880 SG CYS A 55 11.107 -35.714 -7.644 1.00 0.00 S ATOM 0 H CYS A 55 12.412 -39.692 -6.908 1.00 0.00 H new ATOM 0 HA CYS A 55 12.775 -37.731 -8.927 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.872 -38.055 -7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.939 -37.281 -6.033 1.00 0.00 H new ATOM 885 N TYR A 56 14.886 -37.518 -6.383 1.00 0.00 N ATOM 886 CA TYR A 56 16.245 -37.048 -6.085 1.00 0.00 C ATOM 887 C TYR A 56 17.250 -37.411 -7.196 1.00 0.00 C ATOM 888 O TYR A 56 18.049 -36.548 -7.567 1.00 0.00 O ATOM 889 CB TYR A 56 16.724 -37.587 -4.708 1.00 0.00 C ATOM 890 CG TYR A 56 16.113 -36.894 -3.470 1.00 0.00 C ATOM 891 CD1 TYR A 56 15.022 -36.029 -3.494 1.00 0.00 C ATOM 892 CD2 TYR A 56 16.688 -37.128 -2.232 1.00 0.00 C ATOM 893 CE1 TYR A 56 14.540 -35.432 -2.346 1.00 0.00 C ATOM 894 CE2 TYR A 56 16.212 -36.536 -1.079 1.00 0.00 C ATOM 895 CZ TYR A 56 15.138 -35.688 -1.137 1.00 0.00 C ATOM 896 OH TYR A 56 14.676 -35.117 0.004 1.00 0.00 O ATOM 0 H TYR A 56 14.511 -38.164 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 56 16.203 -35.960 -6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.496 -38.652 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.809 -37.491 -4.658 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.539 -35.819 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.535 -37.794 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.693 -34.764 -2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.687 -36.742 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 56 15.221 -35.414 0.762 1.00 0.00 H new ATOM 906 N ILE A 57 17.226 -38.641 -7.744 1.00 0.00 N ATOM 907 CA ILE A 57 17.988 -38.976 -8.966 1.00 0.00 C ATOM 908 C ILE A 57 17.608 -38.126 -10.192 1.00 0.00 C ATOM 909 O ILE A 57 18.504 -37.633 -10.881 1.00 0.00 O ATOM 910 CB ILE A 57 17.928 -40.501 -9.297 1.00 0.00 C ATOM 911 CG1 ILE A 57 18.820 -41.292 -8.320 1.00 0.00 C ATOM 912 CG2 ILE A 57 18.298 -40.897 -10.752 1.00 0.00 C ATOM 913 CD1 ILE A 57 18.018 -41.994 -7.225 1.00 0.00 C ATOM 0 H ILE A 57 16.689 -39.419 -7.362 1.00 0.00 H new ATOM 0 HA ILE A 57 19.021 -38.721 -8.731 1.00 0.00 H new ATOM 0 HB ILE A 57 16.875 -40.758 -9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.393 -42.033 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.538 -40.614 -7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.221 -41.978 -10.865 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.614 -40.410 -11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.319 -40.581 -10.967 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.697 -42.535 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.466 -41.253 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 57 17.318 -42.695 -7.679 1.00 0.00 H new ATOM 925 N ALA A 58 16.311 -37.964 -10.481 1.00 0.00 N ATOM 926 CA ALA A 58 15.818 -37.070 -11.540 1.00 0.00 C ATOM 927 C ALA A 58 16.377 -35.633 -11.449 1.00 0.00 C ATOM 928 O ALA A 58 16.778 -35.047 -12.459 1.00 0.00 O ATOM 929 CB ALA A 58 14.285 -37.045 -11.478 1.00 0.00 C ATOM 0 H ALA A 58 15.567 -38.453 -9.983 1.00 0.00 H new ATOM 0 HA ALA A 58 16.169 -37.464 -12.493 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.900 -36.387 -12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.898 -38.053 -11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.966 -36.678 -10.502 1.00 0.00 H new ATOM 935 N ASN A 59 16.416 -35.068 -10.233 1.00 0.00 N ATOM 936 CA ASN A 59 17.083 -33.789 -9.976 1.00 0.00 C ATOM 937 C ASN A 59 18.626 -33.854 -10.019 1.00 0.00 C ATOM 938 O ASN A 59 19.238 -32.880 -10.462 1.00 0.00 O ATOM 939 CB ASN A 59 16.542 -33.149 -8.681 1.00 0.00 C ATOM 940 CG ASN A 59 15.046 -32.872 -8.840 1.00 0.00 C ATOM 941 OD1 ASN A 59 14.603 -32.075 -9.661 1.00 0.00 O ATOM 942 ND2 ASN A 59 14.205 -33.542 -8.084 1.00 0.00 N ATOM 0 H ASN A 59 15.988 -35.484 -9.406 1.00 0.00 H new ATOM 0 HA ASN A 59 16.830 -33.134 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 59 16.712 -33.814 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.075 -32.222 -8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.201 -33.396 -8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.557 -34.208 -7.397 1.00 0.00 H new ATOM 949 N GLN A 60 19.284 -34.947 -9.587 1.00 0.00 N ATOM 950 CA GLN A 60 20.714 -35.179 -9.858 1.00 0.00 C ATOM 951 C GLN A 60 21.046 -35.253 -11.362 1.00 0.00 C ATOM 952 O GLN A 60 22.087 -34.736 -11.765 1.00 0.00 O ATOM 953 CB GLN A 60 21.231 -36.465 -9.165 1.00 0.00 C ATOM 954 CG GLN A 60 21.301 -36.363 -7.623 1.00 0.00 C ATOM 955 CD GLN A 60 21.868 -37.623 -6.955 1.00 0.00 C ATOM 956 OE1 GLN A 60 22.067 -38.697 -7.525 1.00 0.00 O ATOM 957 NE2 GLN A 60 22.158 -37.519 -5.674 1.00 0.00 N ATOM 0 H GLN A 60 18.842 -35.689 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 60 21.223 -34.309 -9.442 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.581 -37.297 -9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.224 -36.698 -9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.918 -35.507 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.301 -36.172 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.000 -36.638 -5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.540 -38.320 -5.171 1.00 0.00 H new ATOM 966 N VAL A 61 20.203 -35.888 -12.194 1.00 0.00 N ATOM 967 CA VAL A 61 20.320 -35.832 -13.661 1.00 0.00 C ATOM 968 C VAL A 61 20.150 -34.395 -14.202 1.00 0.00 C ATOM 969 O VAL A 61 20.979 -33.946 -14.996 1.00 0.00 O ATOM 970 CB VAL A 61 19.330 -36.843 -14.335 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.324 -36.792 -15.880 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.668 -38.297 -13.942 1.00 0.00 C ATOM 0 H VAL A 61 19.420 -36.455 -11.868 1.00 0.00 H new ATOM 0 HA VAL A 61 21.332 -36.137 -13.927 1.00 0.00 H new ATOM 0 HB VAL A 61 18.349 -36.537 -13.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.612 -37.522 -16.265 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.035 -35.794 -16.210 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.321 -37.023 -16.256 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.965 -38.977 -14.424 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.682 -38.535 -14.264 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.596 -38.408 -12.860 1.00 0.00 H new ATOM 982 N ARG A 62 19.119 -33.654 -13.759 1.00 0.00 N ATOM 983 CA ARG A 62 18.921 -32.234 -14.094 1.00 0.00 C ATOM 984 C ARG A 62 20.098 -31.323 -13.667 1.00 0.00 C ATOM 985 O ARG A 62 20.476 -30.420 -14.416 1.00 0.00 O ATOM 986 CB ARG A 62 17.579 -31.792 -13.453 1.00 0.00 C ATOM 987 CG ARG A 62 17.118 -30.349 -13.763 1.00 0.00 C ATOM 988 CD ARG A 62 15.704 -30.106 -13.228 1.00 0.00 C ATOM 989 NE ARG A 62 15.337 -28.716 -13.487 1.00 0.00 N ATOM 990 CZ ARG A 62 14.122 -28.267 -13.640 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.073 -29.004 -13.600 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.984 -27.015 -13.848 1.00 0.00 N ATOM 0 H ARG A 62 18.391 -34.030 -13.151 1.00 0.00 H new ATOM 0 HA ARG A 62 18.886 -32.126 -15.178 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.799 -32.479 -13.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.664 -31.900 -12.372 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.810 -29.636 -13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.139 -30.178 -14.839 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.996 -30.780 -13.711 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.664 -30.314 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 62 16.096 -28.038 -13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.161 -30.008 -13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.151 -28.586 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.805 -26.411 -13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.053 -26.618 -13.974 1.00 0.00 H new ATOM 1006 N ALA A 63 20.697 -31.539 -12.485 1.00 0.00 N ATOM 1007 CA ALA A 63 21.930 -30.856 -12.075 1.00 0.00 C ATOM 1008 C ALA A 63 23.249 -31.518 -12.559 1.00 0.00 C ATOM 1009 O ALA A 63 24.332 -31.076 -12.164 1.00 0.00 O ATOM 1010 CB ALA A 63 21.895 -30.738 -10.535 1.00 0.00 C ATOM 0 H ALA A 63 20.339 -32.192 -11.788 1.00 0.00 H new ATOM 0 HA ALA A 63 21.946 -29.880 -12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.797 -30.234 -10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.019 -30.163 -10.234 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.844 -31.734 -10.095 1.00 0.00 H new ATOM 1016 N GLU A 64 23.179 -32.556 -13.415 1.00 0.00 N ATOM 1017 CA GLU A 64 24.315 -33.310 -13.977 1.00 0.00 C ATOM 1018 C GLU A 64 25.277 -33.928 -12.928 1.00 0.00 C ATOM 1019 O GLU A 64 26.505 -33.813 -13.003 1.00 0.00 O ATOM 1020 CB GLU A 64 25.049 -32.460 -15.057 1.00 0.00 C ATOM 1021 CG GLU A 64 24.142 -32.138 -16.284 1.00 0.00 C ATOM 1022 CD GLU A 64 24.872 -31.323 -17.351 1.00 0.00 C ATOM 1023 OE1 GLU A 64 24.826 -30.097 -17.286 1.00 0.00 O ATOM 1024 OE2 GLU A 64 25.463 -31.927 -18.243 1.00 0.00 O ATOM 0 H GLU A 64 22.282 -32.909 -13.750 1.00 0.00 H new ATOM 0 HA GLU A 64 23.888 -34.188 -14.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.392 -31.528 -14.609 1.00 0.00 H new ATOM 0 HB3 GLU A 64 25.935 -32.996 -15.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.786 -33.070 -16.723 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.263 -31.587 -15.948 1.00 0.00 H new