USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot -72:sc= -1.71 USER MOD Set 1.2: A 34 CYS SG : rot -89:sc= 1.86 USER MOD Set 1.3: A 38 TYR OH : rot -115:sc= 0.693 USER MOD Set 1.4: A 43 CYS SG : rot -73:sc= 0.685! USER MOD Set 2.1: A 8 CYS SG : rot 158:sc= -1.54! USER MOD Set 2.2: A 15 TYR OH : rot 152:sc= -2.39! USER MOD Set 2.3: A 21 CYS SG : rot 22:sc= 0.881 USER MOD Single : A 1 ARG N :NH3+ -144:sc= -0.23 (180deg=-1.38!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.91 K(o=-2.9,f=-1.4) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= -1.92 (180deg=-3.15) USER MOD Single : A 14 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.61) USER MOD Single : A 18 LYS NZ :NH3+ -108:sc= -1.76! (180deg=-4.5!) USER MOD Single : A 28 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.6!) USER MOD Single : A 29 THR OG1 : rot 82:sc= 0.296 USER MOD Single : A 31 SER OG : rot 51:sc= 0.281 USER MOD Single : A 32 CYS SG : rot 22:sc= 1.14 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.477 16.578 -12.640 1.00 0.00 N ATOM 2 CA ARG A 1 2.037 16.954 -12.732 1.00 0.00 C ATOM 3 C ARG A 1 1.214 16.148 -11.724 1.00 0.00 C ATOM 4 O ARG A 1 0.800 16.656 -10.700 1.00 0.00 O ATOM 5 CB ARG A 1 1.627 16.604 -14.162 1.00 0.00 C ATOM 6 CG ARG A 1 2.363 17.518 -15.145 1.00 0.00 C ATOM 7 CD ARG A 1 2.612 16.765 -16.453 1.00 0.00 C ATOM 8 NE ARG A 1 1.393 17.007 -17.274 1.00 0.00 N ATOM 9 CZ ARG A 1 1.161 18.193 -17.764 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.621 18.514 -18.943 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.469 19.060 -17.077 1.00 0.00 N ATOM 0 H1 ARG A 1 4.066 17.420 -12.798 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.675 16.189 -11.696 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.696 15.862 -13.362 1.00 0.00 H new ATOM 0 HA ARG A 1 1.870 18.007 -12.507 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.862 15.561 -14.374 1.00 0.00 H new ATOM 0 HB3 ARG A 1 0.549 16.718 -14.280 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.773 18.415 -15.336 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.310 17.845 -14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.506 17.133 -16.956 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.762 15.700 -16.273 1.00 0.00 H new ATOM 0 HE ARG A 1 0.739 16.245 -17.453 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.162 17.837 -19.481 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.439 19.442 -19.326 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.109 18.810 -16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.288 19.987 -17.461 1.00 0.00 H new ATOM 27 N LYS A 2 0.973 14.896 -12.004 1.00 0.00 N ATOM 28 CA LYS A 2 0.177 14.061 -11.060 1.00 0.00 C ATOM 29 C LYS A 2 1.109 13.301 -10.111 1.00 0.00 C ATOM 30 O LYS A 2 2.254 13.042 -10.424 1.00 0.00 O ATOM 31 CB LYS A 2 -0.599 13.087 -11.947 1.00 0.00 C ATOM 32 CG LYS A 2 0.376 12.316 -12.838 1.00 0.00 C ATOM 33 CD LYS A 2 0.171 10.813 -12.638 1.00 0.00 C ATOM 34 CE LYS A 2 -0.994 10.335 -13.508 1.00 0.00 C ATOM 35 NZ LYS A 2 -0.431 9.226 -14.327 1.00 0.00 N ATOM 0 H LYS A 2 1.293 14.416 -12.845 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.488 14.661 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.170 12.393 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.316 13.631 -12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.216 12.580 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.402 12.589 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.081 10.273 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.034 10.600 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.828 9.991 -12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.372 11.140 -14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.171 8.845 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.357 9.585 -14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.085 8.472 -13.700 1.00 0.00 H new ATOM 49 N GLY A 3 0.625 12.941 -8.954 1.00 0.00 N ATOM 50 CA GLY A 3 1.482 12.199 -7.986 1.00 0.00 C ATOM 51 C GLY A 3 1.705 13.060 -6.742 1.00 0.00 C ATOM 52 O GLY A 3 2.799 13.139 -6.217 1.00 0.00 O ATOM 0 H GLY A 3 -0.326 13.128 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.007 11.258 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.438 11.950 -8.446 1.00 0.00 H new ATOM 56 N HIS A 4 0.677 13.707 -6.266 1.00 0.00 N ATOM 57 CA HIS A 4 0.830 14.566 -5.056 1.00 0.00 C ATOM 58 C HIS A 4 -0.180 14.152 -3.982 1.00 0.00 C ATOM 59 O HIS A 4 -1.167 14.823 -3.752 1.00 0.00 O ATOM 60 CB HIS A 4 0.546 15.987 -5.543 1.00 0.00 C ATOM 61 CG HIS A 4 1.131 16.978 -4.575 1.00 0.00 C ATOM 62 ND1 HIS A 4 0.361 17.949 -3.954 1.00 0.00 N ATOM 63 CD2 HIS A 4 2.410 17.159 -4.109 1.00 0.00 C ATOM 64 CE1 HIS A 4 1.175 18.665 -3.158 1.00 0.00 C ATOM 65 NE2 HIS A 4 2.436 18.226 -3.215 1.00 0.00 N ATOM 0 H HIS A 4 -0.263 13.679 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 4 1.820 14.479 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.975 16.135 -6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.529 16.143 -5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.266 16.564 -4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 4 0.849 19.494 -2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.244 18.594 -2.712 1.00 0.00 H new ATOM 73 N PHE A 5 0.061 13.053 -3.321 1.00 0.00 N ATOM 74 CA PHE A 5 -0.885 12.597 -2.261 1.00 0.00 C ATOM 75 C PHE A 5 -0.110 12.213 -0.996 1.00 0.00 C ATOM 76 O PHE A 5 0.856 12.852 -0.631 1.00 0.00 O ATOM 77 CB PHE A 5 -1.587 11.374 -2.855 1.00 0.00 C ATOM 78 CG PHE A 5 -2.166 11.730 -4.204 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.470 12.229 -4.298 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.398 11.557 -5.362 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.007 12.557 -5.548 1.00 0.00 C ATOM 82 CE2 PHE A 5 -1.934 11.885 -6.613 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.238 12.384 -6.706 1.00 0.00 C ATOM 0 H PHE A 5 0.871 12.451 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.595 13.373 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.881 10.550 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.378 11.035 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.063 12.361 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.392 11.171 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.013 12.943 -5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.341 11.753 -7.506 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.652 12.636 -7.671 1.00 0.00 H new ATOM 93 N SER A 6 -0.524 11.172 -0.324 1.00 0.00 N ATOM 94 CA SER A 6 0.192 10.751 0.913 1.00 0.00 C ATOM 95 C SER A 6 0.485 9.249 0.869 1.00 0.00 C ATOM 96 O SER A 6 -0.387 8.443 0.610 1.00 0.00 O ATOM 97 CB SER A 6 -0.768 11.075 2.058 1.00 0.00 C ATOM 98 OG SER A 6 -1.471 12.273 1.755 1.00 0.00 O ATOM 0 H SER A 6 -1.326 10.596 -0.579 1.00 0.00 H new ATOM 0 HA SER A 6 1.149 11.259 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.470 10.254 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.215 11.190 2.990 1.00 0.00 H new ATOM 0 HG SER A 6 -2.089 12.484 2.486 1.00 0.00 H new ATOM 104 N ARG A 7 1.708 8.867 1.119 1.00 0.00 N ATOM 105 CA ARG A 7 2.058 7.419 1.090 1.00 0.00 C ATOM 106 C ARG A 7 1.823 6.788 2.464 1.00 0.00 C ATOM 107 O ARG A 7 2.513 7.082 3.420 1.00 0.00 O ATOM 108 CB ARG A 7 3.544 7.378 0.731 1.00 0.00 C ATOM 109 CG ARG A 7 3.759 6.425 -0.447 1.00 0.00 C ATOM 110 CD ARG A 7 5.208 5.934 -0.446 1.00 0.00 C ATOM 111 NE ARG A 7 6.031 7.174 -0.448 1.00 0.00 N ATOM 112 CZ ARG A 7 7.325 7.099 -0.288 1.00 0.00 C ATOM 113 NH1 ARG A 7 7.982 6.078 -0.765 1.00 0.00 N ATOM 114 NH2 ARG A 7 7.960 8.045 0.348 1.00 0.00 N ATOM 0 H ARG A 7 2.480 9.496 1.342 1.00 0.00 H new ATOM 0 HA ARG A 7 1.449 6.863 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.894 8.377 0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.128 7.048 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.077 5.578 -0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.536 6.933 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.417 5.322 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.418 5.319 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 7 5.584 8.082 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.485 5.339 -1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.993 6.019 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.446 8.843 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.971 7.986 0.473 1.00 0.00 H new ATOM 128 N CYS A 8 0.851 5.923 2.570 1.00 0.00 N ATOM 129 CA CYS A 8 0.572 5.274 3.881 1.00 0.00 C ATOM 130 C CYS A 8 1.882 4.860 4.557 1.00 0.00 C ATOM 131 O CYS A 8 2.555 3.956 4.102 1.00 0.00 O ATOM 132 CB CYS A 8 -0.268 4.043 3.541 1.00 0.00 C ATOM 133 SG CYS A 8 -1.966 4.556 3.180 1.00 0.00 S ATOM 0 H CYS A 8 0.239 5.638 1.805 1.00 0.00 H new ATOM 0 HA CYS A 8 0.057 5.942 4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.158 3.525 2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.258 3.340 4.374 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.551 3.645 2.460 1.00 0.00 H new ATOM 138 N PRO A 9 2.200 5.538 5.625 1.00 0.00 N ATOM 139 CA PRO A 9 3.442 5.239 6.375 1.00 0.00 C ATOM 140 C PRO A 9 3.288 3.934 7.158 1.00 0.00 C ATOM 141 O PRO A 9 2.252 3.298 7.127 1.00 0.00 O ATOM 142 CB PRO A 9 3.586 6.430 7.319 1.00 0.00 C ATOM 143 CG PRO A 9 2.199 6.963 7.489 1.00 0.00 C ATOM 144 CD PRO A 9 1.438 6.637 6.230 1.00 0.00 C ATOM 0 HA PRO A 9 4.312 5.106 5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.011 6.126 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.250 7.186 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.718 6.512 8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.219 8.040 7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.413 6.338 6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.383 7.498 5.564 1.00 0.00 H new ATOM 152 N LYS A 10 4.308 3.527 7.860 1.00 0.00 N ATOM 153 CA LYS A 10 4.218 2.261 8.643 1.00 0.00 C ATOM 154 C LYS A 10 3.174 2.400 9.755 1.00 0.00 C ATOM 155 O LYS A 10 2.466 1.466 10.075 1.00 0.00 O ATOM 156 CB LYS A 10 5.613 2.062 9.236 1.00 0.00 C ATOM 157 CG LYS A 10 6.541 1.478 8.169 1.00 0.00 C ATOM 158 CD LYS A 10 7.944 1.299 8.752 1.00 0.00 C ATOM 159 CE LYS A 10 8.856 0.662 7.701 1.00 0.00 C ATOM 160 NZ LYS A 10 10.237 0.854 8.224 1.00 0.00 N ATOM 0 H LYS A 10 5.201 4.016 7.926 1.00 0.00 H new ATOM 0 HA LYS A 10 3.914 1.415 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.007 3.013 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.563 1.393 10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.155 0.519 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.578 2.139 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.346 2.263 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.902 0.671 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.627 -0.395 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.732 1.139 6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.921 0.443 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.429 1.870 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.327 0.383 9.147 1.00 0.00 H new ATOM 174 N GLN A 11 3.074 3.559 10.347 1.00 0.00 N ATOM 175 CA GLN A 11 2.076 3.755 11.439 1.00 0.00 C ATOM 176 C GLN A 11 0.659 3.496 10.921 1.00 0.00 C ATOM 177 O GLN A 11 -0.276 3.358 11.685 1.00 0.00 O ATOM 178 CB GLN A 11 2.234 5.217 11.865 1.00 0.00 C ATOM 179 CG GLN A 11 1.778 6.143 10.733 1.00 0.00 C ATOM 180 CD GLN A 11 1.020 7.334 11.322 1.00 0.00 C ATOM 181 OE1 GLN A 11 1.407 8.470 11.130 1.00 0.00 O ATOM 182 NE2 GLN A 11 -0.050 7.123 12.038 1.00 0.00 N ATOM 0 H GLN A 11 3.639 4.378 10.123 1.00 0.00 H new ATOM 0 HA GLN A 11 2.237 3.068 12.270 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.646 5.409 12.762 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.275 5.421 12.116 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.640 6.492 10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.138 5.598 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.376 6.170 12.200 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.561 7.911 12.436 1.00 0.00 H new ATOM 191 N TYR A 12 0.490 3.432 9.629 1.00 0.00 N ATOM 192 CA TYR A 12 -0.870 3.186 9.066 1.00 0.00 C ATOM 193 C TYR A 12 -0.879 1.903 8.233 1.00 0.00 C ATOM 194 O TYR A 12 -1.906 1.483 7.733 1.00 0.00 O ATOM 195 CB TYR A 12 -1.156 4.400 8.182 1.00 0.00 C ATOM 196 CG TYR A 12 -1.960 5.413 8.960 1.00 0.00 C ATOM 197 CD1 TYR A 12 -3.284 5.130 9.318 1.00 0.00 C ATOM 198 CD2 TYR A 12 -1.383 6.636 9.323 1.00 0.00 C ATOM 199 CE1 TYR A 12 -4.030 6.070 10.038 1.00 0.00 C ATOM 200 CE2 TYR A 12 -2.131 7.575 10.044 1.00 0.00 C ATOM 201 CZ TYR A 12 -3.454 7.292 10.402 1.00 0.00 C ATOM 202 OH TYR A 12 -4.190 8.219 11.113 1.00 0.00 O ATOM 0 H TYR A 12 1.233 3.539 8.939 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.621 3.060 9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.220 4.845 7.844 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.703 4.093 7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.729 4.187 9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.362 6.855 9.047 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.051 5.852 10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.686 8.519 10.324 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.640 9.011 11.285 1.00 0.00 H new ATOM 212 N LYS A 13 0.253 1.275 8.075 1.00 0.00 N ATOM 213 CA LYS A 13 0.304 0.020 7.271 1.00 0.00 C ATOM 214 C LYS A 13 -0.019 -1.189 8.154 1.00 0.00 C ATOM 215 O LYS A 13 0.601 -2.229 8.052 1.00 0.00 O ATOM 216 CB LYS A 13 1.742 -0.061 6.755 1.00 0.00 C ATOM 217 CG LYS A 13 1.735 -0.514 5.293 1.00 0.00 C ATOM 218 CD LYS A 13 2.866 0.187 4.537 1.00 0.00 C ATOM 219 CE LYS A 13 4.178 -0.567 4.765 1.00 0.00 C ATOM 220 NZ LYS A 13 4.738 0.011 6.018 1.00 0.00 N ATOM 0 H LYS A 13 1.145 1.576 8.467 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.422 0.021 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.227 0.911 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.318 -0.760 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.860 -1.595 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.775 -0.279 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.637 0.225 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.962 1.217 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.006 -1.638 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.862 -0.432 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.775 -0.068 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.468 1.013 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.363 -0.508 6.838 1.00 0.00 H new ATOM 234 N HIS A 14 -0.994 -1.069 9.012 1.00 0.00 N ATOM 235 CA HIS A 14 -1.344 -2.217 9.894 1.00 0.00 C ATOM 236 C HIS A 14 -2.315 -3.139 9.165 1.00 0.00 C ATOM 237 O HIS A 14 -2.470 -4.294 9.507 1.00 0.00 O ATOM 238 CB HIS A 14 -2.011 -1.593 11.119 1.00 0.00 C ATOM 239 CG HIS A 14 -0.955 -1.120 12.081 1.00 0.00 C ATOM 240 ND1 HIS A 14 0.225 -0.533 11.655 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.889 -1.140 13.453 1.00 0.00 C ATOM 242 CE1 HIS A 14 0.944 -0.226 12.750 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.311 -0.575 13.872 1.00 0.00 N ATOM 0 H HIS A 14 -1.561 -0.231 9.140 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.475 -2.813 10.173 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.642 -0.758 10.816 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.659 -2.323 11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.653 -1.534 14.107 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.915 0.246 12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.637 -0.453 14.831 1.00 0.00 H new ATOM 251 N TYR A 15 -2.949 -2.645 8.140 1.00 0.00 N ATOM 252 CA TYR A 15 -3.883 -3.504 7.367 1.00 0.00 C ATOM 253 C TYR A 15 -3.114 -4.190 6.235 1.00 0.00 C ATOM 254 O TYR A 15 -3.682 -4.896 5.425 1.00 0.00 O ATOM 255 CB TYR A 15 -4.950 -2.560 6.809 1.00 0.00 C ATOM 256 CG TYR A 15 -4.292 -1.381 6.132 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.523 -1.573 4.978 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.457 -0.094 6.658 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.917 -0.477 4.352 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.851 1.000 6.031 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.081 0.809 4.878 1.00 0.00 C ATOM 262 OH TYR A 15 -2.487 1.890 4.262 1.00 0.00 O ATOM 0 H TYR A 15 -2.860 -1.686 7.805 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.336 -4.285 7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.582 -3.092 6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.598 -2.213 7.614 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.397 -2.565 4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.052 0.054 7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.323 -0.624 3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.977 1.993 6.437 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.015 2.697 4.436 1.00 0.00 H new ATOM 272 N CYS A 16 -1.821 -3.988 6.174 1.00 0.00 N ATOM 273 CA CYS A 16 -1.019 -4.631 5.094 1.00 0.00 C ATOM 274 C CYS A 16 0.453 -4.709 5.506 1.00 0.00 C ATOM 275 O CYS A 16 1.089 -3.707 5.764 1.00 0.00 O ATOM 276 CB CYS A 16 -1.190 -3.721 3.878 1.00 0.00 C ATOM 277 SG CYS A 16 -2.615 -4.271 2.906 1.00 0.00 S ATOM 0 H CYS A 16 -1.290 -3.408 6.824 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.345 -5.650 4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.333 -2.689 4.200 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.289 -3.742 3.265 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.326 -5.387 2.305 1.00 0.00 H new ATOM 282 N ILE A 17 1.000 -5.893 5.573 1.00 0.00 N ATOM 283 CA ILE A 17 2.431 -6.030 5.971 1.00 0.00 C ATOM 284 C ILE A 17 3.344 -5.740 4.776 1.00 0.00 C ATOM 285 O ILE A 17 3.998 -4.717 4.718 1.00 0.00 O ATOM 286 CB ILE A 17 2.581 -7.481 6.428 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.494 -7.803 7.456 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.957 -7.677 7.065 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.776 -7.045 8.754 1.00 0.00 C ATOM 0 H ILE A 17 0.519 -6.769 5.370 1.00 0.00 H new ATOM 0 HA ILE A 17 2.710 -5.328 6.757 1.00 0.00 H new ATOM 0 HB ILE A 17 2.481 -8.145 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.515 -7.524 7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.467 -8.876 7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.063 -8.712 7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.732 -7.445 6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.058 -7.014 7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.001 -7.275 9.485 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.747 -7.346 9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.781 -5.973 8.556 1.00 0.00 H new ATOM 301 N LYS A 18 3.398 -6.629 3.820 1.00 0.00 N ATOM 302 CA LYS A 18 4.274 -6.390 2.634 1.00 0.00 C ATOM 303 C LYS A 18 3.466 -5.767 1.493 1.00 0.00 C ATOM 304 O LYS A 18 3.289 -6.359 0.444 1.00 0.00 O ATOM 305 CB LYS A 18 4.795 -7.771 2.234 1.00 0.00 C ATOM 306 CG LYS A 18 3.633 -8.633 1.736 1.00 0.00 C ATOM 307 CD LYS A 18 3.961 -10.112 1.948 1.00 0.00 C ATOM 308 CE LYS A 18 4.337 -10.350 3.412 1.00 0.00 C ATOM 309 NZ LYS A 18 5.827 -10.353 3.433 1.00 0.00 N ATOM 0 H LYS A 18 2.877 -7.506 3.808 1.00 0.00 H new ATOM 0 HA LYS A 18 5.088 -5.700 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.550 -7.674 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.277 -8.250 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.719 -8.373 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.450 -8.439 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.103 -10.727 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.784 -10.409 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.935 -9.567 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.935 -11.297 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.170 -11.323 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.188 -9.998 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.165 -9.740 4.202 1.00 0.00 H new ATOM 323 N GLY A 19 2.976 -4.574 1.687 1.00 0.00 N ATOM 324 CA GLY A 19 2.183 -3.910 0.616 1.00 0.00 C ATOM 325 C GLY A 19 2.253 -2.393 0.798 1.00 0.00 C ATOM 326 O GLY A 19 2.759 -1.898 1.786 1.00 0.00 O ATOM 0 H GLY A 19 3.091 -4.030 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.571 -4.188 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.146 -4.245 0.655 1.00 0.00 H new ATOM 330 N ARG A 20 1.749 -1.651 -0.148 1.00 0.00 N ATOM 331 CA ARG A 20 1.785 -0.165 -0.029 1.00 0.00 C ATOM 332 C ARG A 20 0.405 0.414 -0.346 1.00 0.00 C ATOM 333 O ARG A 20 -0.222 0.042 -1.316 1.00 0.00 O ATOM 334 CB ARG A 20 2.811 0.293 -1.065 1.00 0.00 C ATOM 335 CG ARG A 20 4.217 0.187 -0.471 1.00 0.00 C ATOM 336 CD ARG A 20 5.210 -0.191 -1.571 1.00 0.00 C ATOM 337 NE ARG A 20 5.376 1.048 -2.380 1.00 0.00 N ATOM 338 CZ ARG A 20 6.503 1.705 -2.345 1.00 0.00 C ATOM 339 NH1 ARG A 20 7.577 1.185 -2.872 1.00 0.00 N ATOM 340 NH2 ARG A 20 6.555 2.881 -1.782 1.00 0.00 N ATOM 0 H ARG A 20 1.314 -2.008 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 20 2.050 0.166 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.736 -0.321 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.608 1.321 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.504 1.136 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.233 -0.562 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.161 -0.518 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.832 -1.012 -2.180 1.00 0.00 H new ATOM 0 HE ARG A 20 4.608 1.383 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.536 0.265 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.458 1.698 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.715 3.286 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.436 3.395 -1.754 1.00 0.00 H new ATOM 354 N CYS A 21 -0.074 1.315 0.463 1.00 0.00 N ATOM 355 CA CYS A 21 -1.418 1.905 0.202 1.00 0.00 C ATOM 356 C CYS A 21 -1.314 3.425 0.051 1.00 0.00 C ATOM 357 O CYS A 21 -0.632 4.090 0.804 1.00 0.00 O ATOM 358 CB CYS A 21 -2.251 1.539 1.431 1.00 0.00 C ATOM 359 SG CYS A 21 -3.778 2.513 1.443 1.00 0.00 S ATOM 0 H CYS A 21 0.404 1.669 1.292 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.863 1.530 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.487 0.475 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.680 1.729 2.340 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.042 2.921 0.237 1.00 0.00 H new ATOM 364 N ARG A 22 -1.997 3.979 -0.912 1.00 0.00 N ATOM 365 CA ARG A 22 -1.949 5.458 -1.106 1.00 0.00 C ATOM 366 C ARG A 22 -3.260 6.083 -0.624 1.00 0.00 C ATOM 367 O ARG A 22 -4.334 5.688 -1.033 1.00 0.00 O ATOM 368 CB ARG A 22 -1.768 5.670 -2.611 1.00 0.00 C ATOM 369 CG ARG A 22 -0.378 6.247 -2.880 1.00 0.00 C ATOM 370 CD ARG A 22 0.536 5.146 -3.421 1.00 0.00 C ATOM 371 NE ARG A 22 0.656 5.429 -4.878 1.00 0.00 N ATOM 372 CZ ARG A 22 1.358 4.638 -5.640 1.00 0.00 C ATOM 373 NH1 ARG A 22 2.600 4.370 -5.337 1.00 0.00 N ATOM 374 NH2 ARG A 22 0.819 4.112 -6.707 1.00 0.00 N ATOM 0 H ARG A 22 -2.586 3.473 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.141 5.924 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.890 4.725 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.534 6.347 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.445 7.064 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.039 6.662 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.510 5.166 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.111 4.158 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 22 0.189 6.242 -5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.021 4.780 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.148 3.751 -5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.151 4.320 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.368 3.493 -7.303 1.00 0.00 H new ATOM 388 N PHE A 23 -3.183 7.050 0.248 1.00 0.00 N ATOM 389 CA PHE A 23 -4.426 7.691 0.763 1.00 0.00 C ATOM 390 C PHE A 23 -4.600 9.087 0.160 1.00 0.00 C ATOM 391 O PHE A 23 -3.837 9.991 0.436 1.00 0.00 O ATOM 392 CB PHE A 23 -4.220 7.781 2.275 1.00 0.00 C ATOM 393 CG PHE A 23 -5.560 7.865 2.964 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.464 8.876 2.616 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.900 6.932 3.950 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.706 8.954 3.255 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.142 7.010 4.590 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.046 8.021 4.243 1.00 0.00 C ATOM 0 H PHE A 23 -2.313 7.424 0.626 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.320 7.125 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.671 6.909 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.619 8.657 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.202 9.596 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.203 6.151 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.403 9.734 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.403 6.290 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.005 8.082 4.737 1.00 0.00 H new ATOM 408 N VAL A 24 -5.603 9.271 -0.657 1.00 0.00 N ATOM 409 CA VAL A 24 -5.824 10.613 -1.270 1.00 0.00 C ATOM 410 C VAL A 24 -6.617 11.504 -0.311 1.00 0.00 C ATOM 411 O VAL A 24 -7.754 11.218 0.019 1.00 0.00 O ATOM 412 CB VAL A 24 -6.628 10.343 -2.541 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.897 11.665 -3.264 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.831 9.414 -3.459 1.00 0.00 C ATOM 0 H VAL A 24 -6.276 8.553 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.888 11.129 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.575 9.872 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.471 11.474 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.463 12.329 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.949 12.136 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.403 9.220 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.884 9.886 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.637 8.473 -2.945 1.00 0.00 H new ATOM 424 N VAL A 25 -6.023 12.580 0.139 1.00 0.00 N ATOM 425 CA VAL A 25 -6.731 13.496 1.080 1.00 0.00 C ATOM 426 C VAL A 25 -7.791 14.311 0.335 1.00 0.00 C ATOM 427 O VAL A 25 -8.973 14.175 0.585 1.00 0.00 O ATOM 428 CB VAL A 25 -5.642 14.415 1.636 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.263 15.402 2.626 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.584 13.574 2.352 1.00 0.00 C ATOM 0 H VAL A 25 -5.074 12.863 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.249 12.952 1.870 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.178 14.965 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.487 16.057 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.018 16.001 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.727 14.852 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.807 14.228 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.049 13.024 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.141 12.870 1.648 1.00 0.00 H new ATOM 440 N ALA A 26 -7.382 15.153 -0.579 1.00 0.00 N ATOM 441 CA ALA A 26 -8.375 15.967 -1.340 1.00 0.00 C ATOM 442 C ALA A 26 -9.569 15.089 -1.714 1.00 0.00 C ATOM 443 O ALA A 26 -10.681 15.316 -1.281 1.00 0.00 O ATOM 444 CB ALA A 26 -7.633 16.434 -2.593 1.00 0.00 C ATOM 0 H ALA A 26 -6.406 15.311 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.758 16.811 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.300 17.041 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.766 17.028 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.303 15.567 -3.165 1.00 0.00 H new ATOM 450 N GLU A 27 -9.337 14.072 -2.494 1.00 0.00 N ATOM 451 CA GLU A 27 -10.448 13.157 -2.874 1.00 0.00 C ATOM 452 C GLU A 27 -10.414 11.929 -1.962 1.00 0.00 C ATOM 453 O GLU A 27 -9.789 10.936 -2.271 1.00 0.00 O ATOM 454 CB GLU A 27 -10.166 12.762 -4.325 1.00 0.00 C ATOM 455 CG GLU A 27 -10.488 13.941 -5.245 1.00 0.00 C ATOM 456 CD GLU A 27 -11.971 13.909 -5.619 1.00 0.00 C ATOM 457 OE1 GLU A 27 -12.451 12.843 -5.968 1.00 0.00 O ATOM 458 OE2 GLU A 27 -12.602 14.950 -5.551 1.00 0.00 O ATOM 0 H GLU A 27 -8.426 13.834 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.431 13.617 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.121 12.473 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.768 11.896 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.248 14.880 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.874 13.892 -6.145 1.00 0.00 H new ATOM 465 N GLN A 28 -11.068 12.007 -0.830 1.00 0.00 N ATOM 466 CA GLN A 28 -11.072 10.863 0.131 1.00 0.00 C ATOM 467 C GLN A 28 -11.060 9.524 -0.608 1.00 0.00 C ATOM 468 O GLN A 28 -12.092 8.987 -0.961 1.00 0.00 O ATOM 469 CB GLN A 28 -12.369 11.018 0.926 1.00 0.00 C ATOM 470 CG GLN A 28 -13.542 11.202 -0.039 1.00 0.00 C ATOM 471 CD GLN A 28 -14.209 12.553 0.223 1.00 0.00 C ATOM 472 OE1 GLN A 28 -14.181 13.054 1.329 1.00 0.00 O ATOM 473 NE2 GLN A 28 -14.812 13.170 -0.757 1.00 0.00 N ATOM 0 H GLN A 28 -11.603 12.821 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.189 10.872 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.532 10.139 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.297 11.875 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.191 11.151 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.264 10.396 0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.836 12.750 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.259 14.072 -0.593 1.00 0.00 H new ATOM 482 N THR A 29 -9.898 8.978 -0.843 1.00 0.00 N ATOM 483 CA THR A 29 -9.826 7.671 -1.557 1.00 0.00 C ATOM 484 C THR A 29 -8.668 6.827 -1.016 1.00 0.00 C ATOM 485 O THR A 29 -7.567 6.880 -1.527 1.00 0.00 O ATOM 486 CB THR A 29 -9.592 8.026 -3.026 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.791 8.546 -3.582 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.172 6.771 -3.794 1.00 0.00 C ATOM 0 H THR A 29 -8.999 9.378 -0.573 1.00 0.00 H new ATOM 0 HA THR A 29 -10.734 7.083 -1.421 1.00 0.00 H new ATOM 0 HB THR A 29 -8.803 8.775 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.877 9.494 -3.347 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.005 7.024 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.252 6.373 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.959 6.020 -3.723 1.00 0.00 H new ATOM 496 N PRO A 30 -8.965 6.073 0.007 1.00 0.00 N ATOM 497 CA PRO A 30 -7.947 5.199 0.632 1.00 0.00 C ATOM 498 C PRO A 30 -7.769 3.917 -0.188 1.00 0.00 C ATOM 499 O PRO A 30 -8.462 2.939 0.016 1.00 0.00 O ATOM 500 CB PRO A 30 -8.544 4.881 1.999 1.00 0.00 C ATOM 501 CG PRO A 30 -10.026 5.034 1.832 1.00 0.00 C ATOM 502 CD PRO A 30 -10.267 5.973 0.674 1.00 0.00 C ATOM 0 HA PRO A 30 -6.963 5.664 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.287 3.870 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.162 5.560 2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.491 4.066 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.474 5.429 2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.030 5.584 -0.000 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.613 6.948 1.018 1.00 0.00 H new ATOM 510 N SER A 31 -6.848 3.911 -1.111 1.00 0.00 N ATOM 511 CA SER A 31 -6.632 2.686 -1.937 1.00 0.00 C ATOM 512 C SER A 31 -5.447 1.887 -1.390 1.00 0.00 C ATOM 513 O SER A 31 -4.345 2.387 -1.290 1.00 0.00 O ATOM 514 CB SER A 31 -6.331 3.197 -3.345 1.00 0.00 C ATOM 515 OG SER A 31 -5.712 4.475 -3.262 1.00 0.00 O ATOM 0 H SER A 31 -6.236 4.697 -1.330 1.00 0.00 H new ATOM 0 HA SER A 31 -7.498 2.024 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.677 2.497 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.252 3.264 -3.924 1.00 0.00 H new ATOM 0 HG SER A 31 -4.955 4.432 -2.641 1.00 0.00 H new ATOM 521 N CYS A 32 -5.663 0.651 -1.032 1.00 0.00 N ATOM 522 CA CYS A 32 -4.545 -0.172 -0.489 1.00 0.00 C ATOM 523 C CYS A 32 -4.027 -1.142 -1.555 1.00 0.00 C ATOM 524 O CYS A 32 -4.790 -1.759 -2.270 1.00 0.00 O ATOM 525 CB CYS A 32 -5.152 -0.938 0.687 1.00 0.00 C ATOM 526 SG CYS A 32 -6.300 -2.191 0.063 1.00 0.00 S ATOM 0 H CYS A 32 -6.564 0.176 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.696 0.439 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.364 -1.411 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.674 -0.250 1.352 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.010 -2.468 -1.173 1.00 0.00 H new ATOM 531 N VAL A 33 -2.734 -1.281 -1.661 1.00 0.00 N ATOM 532 CA VAL A 33 -2.160 -2.212 -2.675 1.00 0.00 C ATOM 533 C VAL A 33 -1.145 -3.144 -2.009 1.00 0.00 C ATOM 534 O VAL A 33 -0.701 -2.902 -0.903 1.00 0.00 O ATOM 535 CB VAL A 33 -1.476 -1.309 -3.703 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.521 -2.139 -4.562 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.536 -0.666 -4.597 1.00 0.00 C ATOM 0 H VAL A 33 -2.048 -0.789 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.918 -2.844 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.913 -0.532 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.035 -1.493 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.235 -2.599 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.081 -2.917 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.051 -0.022 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.098 -1.445 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.216 -0.072 -3.986 1.00 0.00 H new ATOM 547 N CYS A 34 -0.781 -4.211 -2.663 1.00 0.00 N ATOM 548 CA CYS A 34 0.198 -5.158 -2.051 1.00 0.00 C ATOM 549 C CYS A 34 1.282 -5.533 -3.064 1.00 0.00 C ATOM 550 O CYS A 34 1.130 -5.335 -4.252 1.00 0.00 O ATOM 551 CB CYS A 34 -0.624 -6.394 -1.670 1.00 0.00 C ATOM 552 SG CYS A 34 -2.197 -5.888 -0.923 1.00 0.00 S ATOM 0 H CYS A 34 -1.116 -4.470 -3.591 1.00 0.00 H new ATOM 0 HA CYS A 34 0.704 -4.721 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.811 -7.003 -2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.062 -7.013 -0.970 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.046 -5.760 0.362 1.00 0.00 H new ATOM 557 N ASP A 35 2.376 -6.077 -2.602 1.00 0.00 N ATOM 558 CA ASP A 35 3.466 -6.466 -3.541 1.00 0.00 C ATOM 559 C ASP A 35 2.923 -7.414 -4.614 1.00 0.00 C ATOM 560 O ASP A 35 2.403 -8.471 -4.317 1.00 0.00 O ATOM 561 CB ASP A 35 4.503 -7.178 -2.673 1.00 0.00 C ATOM 562 CG ASP A 35 5.500 -6.155 -2.125 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.169 -4.981 -2.118 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.576 -6.564 -1.722 1.00 0.00 O ATOM 0 H ASP A 35 2.561 -6.268 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 35 3.891 -5.607 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.010 -7.697 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.026 -7.933 -3.259 1.00 0.00 H new ATOM 569 N GLU A 36 3.039 -7.044 -5.861 1.00 0.00 N ATOM 570 CA GLU A 36 2.526 -7.926 -6.949 1.00 0.00 C ATOM 571 C GLU A 36 2.977 -9.371 -6.714 1.00 0.00 C ATOM 572 O GLU A 36 2.214 -10.303 -6.872 1.00 0.00 O ATOM 573 CB GLU A 36 3.144 -7.371 -8.233 1.00 0.00 C ATOM 574 CG GLU A 36 2.063 -7.251 -9.308 1.00 0.00 C ATOM 575 CD GLU A 36 2.664 -6.631 -10.571 1.00 0.00 C ATOM 576 OE1 GLU A 36 3.118 -5.501 -10.494 1.00 0.00 O ATOM 577 OE2 GLU A 36 2.659 -7.296 -11.595 1.00 0.00 O ATOM 0 H GLU A 36 3.466 -6.172 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 36 1.437 -7.937 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.592 -6.396 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.944 -8.027 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.650 -8.234 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.240 -6.635 -8.944 1.00 0.00 H new ATOM 584 N GLY A 37 4.212 -9.564 -6.339 1.00 0.00 N ATOM 585 CA GLY A 37 4.708 -10.948 -6.094 1.00 0.00 C ATOM 586 C GLY A 37 4.424 -11.346 -4.644 1.00 0.00 C ATOM 587 O GLY A 37 5.266 -11.903 -3.967 1.00 0.00 O ATOM 0 H GLY A 37 4.898 -8.824 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.221 -11.646 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.778 -11.002 -6.294 1.00 0.00 H new ATOM 591 N TYR A 38 3.242 -11.069 -4.162 1.00 0.00 N ATOM 592 CA TYR A 38 2.908 -11.438 -2.755 1.00 0.00 C ATOM 593 C TYR A 38 1.675 -12.351 -2.727 1.00 0.00 C ATOM 594 O TYR A 38 0.999 -12.529 -3.722 1.00 0.00 O ATOM 595 CB TYR A 38 2.645 -10.097 -2.042 1.00 0.00 C ATOM 596 CG TYR A 38 1.164 -9.773 -2.030 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.437 -9.768 -3.226 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.523 -9.480 -0.819 1.00 0.00 C ATOM 599 CE1 TYR A 38 -0.931 -9.472 -3.212 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.845 -9.183 -0.806 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.572 -9.180 -2.003 1.00 0.00 C ATOM 602 OH TYR A 38 -2.921 -8.887 -1.989 1.00 0.00 O ATOM 0 H TYR A 38 2.495 -10.605 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 38 3.706 -11.994 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.019 -10.145 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.192 -9.300 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.931 -9.992 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.084 -9.483 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.492 -9.469 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.340 -8.956 0.127 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.051 -7.960 -1.698 1.00 0.00 H new ATOM 612 N ILE A 39 1.381 -12.930 -1.595 1.00 0.00 N ATOM 613 CA ILE A 39 0.196 -13.830 -1.502 1.00 0.00 C ATOM 614 C ILE A 39 -0.525 -13.620 -0.166 1.00 0.00 C ATOM 615 O ILE A 39 0.092 -13.356 0.848 1.00 0.00 O ATOM 616 CB ILE A 39 0.767 -15.246 -1.585 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.502 -15.423 -2.916 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.372 -16.262 -1.494 1.00 0.00 C ATOM 619 CD1 ILE A 39 3.011 -15.431 -2.667 1.00 0.00 C ATOM 0 H ILE A 39 1.910 -12.819 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.532 -13.637 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 39 1.463 -15.405 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.196 -16.355 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.239 -14.615 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.035 -17.271 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.896 -16.137 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.068 -16.103 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.535 -15.557 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.309 -14.488 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.265 -16.254 -1.999 1.00 0.00 H new ATOM 631 N GLY A 40 -1.824 -13.736 -0.158 1.00 0.00 N ATOM 632 CA GLY A 40 -2.583 -13.543 1.110 1.00 0.00 C ATOM 633 C GLY A 40 -3.450 -12.288 1.002 1.00 0.00 C ATOM 634 O GLY A 40 -3.293 -11.489 0.100 1.00 0.00 O ATOM 0 H GLY A 40 -2.393 -13.956 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.208 -14.414 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.893 -13.450 1.948 1.00 0.00 H new ATOM 638 N ALA A 41 -4.365 -12.108 1.914 1.00 0.00 N ATOM 639 CA ALA A 41 -5.243 -10.904 1.862 1.00 0.00 C ATOM 640 C ALA A 41 -4.597 -9.745 2.627 1.00 0.00 C ATOM 641 O ALA A 41 -4.624 -8.611 2.193 1.00 0.00 O ATOM 642 CB ALA A 41 -6.545 -11.334 2.537 1.00 0.00 C ATOM 0 H ALA A 41 -4.543 -12.742 2.693 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.409 -10.557 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.247 -10.500 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.979 -12.172 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.340 -11.638 3.564 1.00 0.00 H new ATOM 648 N ARG A 42 -4.018 -10.021 3.763 1.00 0.00 N ATOM 649 CA ARG A 42 -3.371 -8.936 4.556 1.00 0.00 C ATOM 650 C ARG A 42 -1.903 -8.785 4.147 1.00 0.00 C ATOM 651 O ARG A 42 -1.133 -8.108 4.802 1.00 0.00 O ATOM 652 CB ARG A 42 -3.478 -9.390 6.011 1.00 0.00 C ATOM 653 CG ARG A 42 -4.257 -8.349 6.819 1.00 0.00 C ATOM 654 CD ARG A 42 -5.709 -8.807 6.975 1.00 0.00 C ATOM 655 NE ARG A 42 -6.451 -7.593 7.416 1.00 0.00 N ATOM 656 CZ ARG A 42 -7.698 -7.690 7.791 1.00 0.00 C ATOM 657 NH1 ARG A 42 -8.505 -8.504 7.168 1.00 0.00 N ATOM 658 NH2 ARG A 42 -8.137 -6.974 8.790 1.00 0.00 N ATOM 0 H ARG A 42 -3.965 -10.952 4.177 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.846 -7.968 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.979 -10.356 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.483 -9.523 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.799 -8.216 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.221 -7.382 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.105 -9.192 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.793 -9.609 7.708 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.985 -6.686 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.162 -9.065 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.479 -8.580 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.506 -6.338 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.111 -7.050 9.083 1.00 0.00 H new ATOM 672 N CYS A 43 -1.510 -9.409 3.071 1.00 0.00 N ATOM 673 CA CYS A 43 -0.090 -9.303 2.620 1.00 0.00 C ATOM 674 C CYS A 43 0.829 -9.992 3.632 1.00 0.00 C ATOM 675 O CYS A 43 1.814 -9.431 4.072 1.00 0.00 O ATOM 676 CB CYS A 43 0.215 -7.801 2.564 1.00 0.00 C ATOM 677 SG CYS A 43 -1.201 -6.899 1.881 1.00 0.00 S ATOM 0 H CYS A 43 -2.109 -9.988 2.483 1.00 0.00 H new ATOM 0 HA CYS A 43 0.068 -9.781 1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.443 -7.431 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.098 -7.625 1.950 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.286 -7.128 0.604 1.00 0.00 H new ATOM 682 N GLU A 44 0.510 -11.202 4.009 1.00 0.00 N ATOM 683 CA GLU A 44 1.358 -11.925 5.000 1.00 0.00 C ATOM 684 C GLU A 44 2.323 -12.883 4.293 1.00 0.00 C ATOM 685 O GLU A 44 3.438 -13.085 4.730 1.00 0.00 O ATOM 686 CB GLU A 44 0.371 -12.705 5.869 1.00 0.00 C ATOM 687 CG GLU A 44 0.993 -12.961 7.242 1.00 0.00 C ATOM 688 CD GLU A 44 -0.082 -13.478 8.200 1.00 0.00 C ATOM 689 OE1 GLU A 44 -1.250 -13.289 7.906 1.00 0.00 O ATOM 690 OE2 GLU A 44 0.282 -14.054 9.213 1.00 0.00 O ATOM 0 H GLU A 44 -0.302 -11.721 3.673 1.00 0.00 H new ATOM 0 HA GLU A 44 1.972 -11.241 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.557 -12.144 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.117 -13.651 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.800 -13.688 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.431 -12.042 7.632 1.00 0.00 H new ATOM 697 N ARG A 45 1.907 -13.477 3.208 1.00 0.00 N ATOM 698 CA ARG A 45 2.810 -14.420 2.487 1.00 0.00 C ATOM 699 C ARG A 45 3.562 -13.682 1.375 1.00 0.00 C ATOM 700 O ARG A 45 3.132 -12.649 0.905 1.00 0.00 O ATOM 701 CB ARG A 45 1.885 -15.484 1.896 1.00 0.00 C ATOM 702 CG ARG A 45 1.821 -16.686 2.841 1.00 0.00 C ATOM 703 CD ARG A 45 1.745 -17.977 2.021 1.00 0.00 C ATOM 704 NE ARG A 45 2.687 -18.914 2.694 1.00 0.00 N ATOM 705 CZ ARG A 45 3.642 -19.483 2.009 1.00 0.00 C ATOM 706 NH1 ARG A 45 4.534 -18.751 1.402 1.00 0.00 N ATOM 707 NH2 ARG A 45 3.702 -20.785 1.930 1.00 0.00 N ATOM 0 H ARG A 45 0.985 -13.351 2.791 1.00 0.00 H new ATOM 0 HA ARG A 45 3.562 -14.857 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.887 -15.072 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.250 -15.796 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.700 -16.703 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.951 -16.604 3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.731 -18.378 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.033 -17.804 0.984 1.00 0.00 H new ATOM 0 HE ARG A 45 2.586 -19.111 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.486 -17.734 1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.280 -19.195 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.003 -21.357 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.448 -21.230 1.395 1.00 0.00 H new ATOM 721 N VAL A 46 4.683 -14.202 0.956 1.00 0.00 N ATOM 722 CA VAL A 46 5.458 -13.524 -0.123 1.00 0.00 C ATOM 723 C VAL A 46 6.151 -14.560 -1.011 1.00 0.00 C ATOM 724 O VAL A 46 6.445 -15.660 -0.587 1.00 0.00 O ATOM 725 CB VAL A 46 6.493 -12.670 0.611 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.445 -13.578 1.391 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.290 -11.852 -0.408 1.00 0.00 C ATOM 0 H VAL A 46 5.095 -15.064 1.312 1.00 0.00 H new ATOM 0 HA VAL A 46 4.821 -12.925 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 46 5.985 -11.998 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.182 -12.969 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.878 -14.163 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.954 -14.250 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.029 -11.242 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.797 -12.526 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.612 -11.205 -0.965 1.00 0.00 H new ATOM 737 N ASP A 47 6.414 -14.216 -2.242 1.00 0.00 N ATOM 738 CA ASP A 47 7.089 -15.180 -3.158 1.00 0.00 C ATOM 739 C ASP A 47 8.353 -14.553 -3.750 1.00 0.00 C ATOM 740 O ASP A 47 8.541 -14.524 -4.950 1.00 0.00 O ATOM 741 CB ASP A 47 6.066 -15.465 -4.257 1.00 0.00 C ATOM 742 CG ASP A 47 6.249 -16.894 -4.767 1.00 0.00 C ATOM 743 OD1 ASP A 47 7.387 -17.318 -4.889 1.00 0.00 O ATOM 744 OD2 ASP A 47 5.248 -17.542 -5.027 1.00 0.00 O ATOM 0 H ASP A 47 6.191 -13.310 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 47 7.399 -16.090 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.055 -15.332 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.190 -14.757 -5.076 1.00 0.00 H new ATOM 749 N LEU A 48 9.224 -14.052 -2.917 1.00 0.00 N ATOM 750 CA LEU A 48 10.477 -13.430 -3.429 1.00 0.00 C ATOM 751 C LEU A 48 11.694 -14.163 -2.860 1.00 0.00 C ATOM 752 O LEU A 48 12.653 -14.429 -3.557 1.00 0.00 O ATOM 753 CB LEU A 48 10.435 -11.987 -2.927 1.00 0.00 C ATOM 754 CG LEU A 48 11.065 -11.066 -3.971 1.00 0.00 C ATOM 755 CD1 LEU A 48 9.969 -10.452 -4.842 1.00 0.00 C ATOM 756 CD2 LEU A 48 11.839 -9.950 -3.266 1.00 0.00 C ATOM 0 H LEU A 48 9.121 -14.047 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 48 10.553 -13.480 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.405 -11.687 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.972 -11.904 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 48 11.745 -11.643 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.420 -9.796 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.417 -11.246 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.287 -9.876 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.289 -9.293 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.158 -9.375 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.623 -10.386 -2.646 1.00 0.00 H new ATOM 768 N PHE A 49 11.660 -14.492 -1.599 1.00 0.00 N ATOM 769 CA PHE A 49 12.812 -15.210 -0.981 1.00 0.00 C ATOM 770 C PHE A 49 12.615 -16.724 -1.110 1.00 0.00 C ATOM 771 O PHE A 49 13.128 -17.495 -0.324 1.00 0.00 O ATOM 772 CB PHE A 49 12.799 -14.790 0.489 1.00 0.00 C ATOM 773 CG PHE A 49 12.991 -13.296 0.590 1.00 0.00 C ATOM 774 CD1 PHE A 49 14.281 -12.755 0.589 1.00 0.00 C ATOM 775 CD2 PHE A 49 11.877 -12.452 0.684 1.00 0.00 C ATOM 776 CE1 PHE A 49 14.459 -11.369 0.685 1.00 0.00 C ATOM 777 CE2 PHE A 49 12.055 -11.066 0.778 1.00 0.00 C ATOM 778 CZ PHE A 49 13.346 -10.525 0.779 1.00 0.00 C ATOM 0 H PHE A 49 10.883 -14.295 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 49 13.759 -14.968 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.855 -15.078 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 49 13.591 -15.306 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 49 15.140 -13.406 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.881 -12.870 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.455 -10.951 0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 49 11.196 -10.415 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.483 -9.456 0.852 1.00 0.00 H new ATOM 788 N TYR A 50 11.874 -17.152 -2.094 1.00 0.00 N ATOM 789 CA TYR A 50 11.642 -18.614 -2.272 1.00 0.00 C ATOM 790 C TYR A 50 12.977 -19.351 -2.408 1.00 0.00 C ATOM 791 O TYR A 50 13.994 -18.758 -2.088 1.00 0.00 O ATOM 792 CB TYR A 50 10.830 -18.733 -3.562 1.00 0.00 C ATOM 793 CG TYR A 50 11.462 -17.882 -4.638 1.00 0.00 C ATOM 794 CD1 TYR A 50 12.741 -18.192 -5.113 1.00 0.00 C ATOM 795 CD2 TYR A 50 10.768 -16.784 -5.160 1.00 0.00 C ATOM 796 CE1 TYR A 50 13.328 -17.404 -6.111 1.00 0.00 C ATOM 797 CE2 TYR A 50 11.355 -15.995 -6.157 1.00 0.00 C ATOM 798 CZ TYR A 50 12.635 -16.306 -6.633 1.00 0.00 C ATOM 799 OH TYR A 50 13.212 -15.528 -7.617 1.00 0.00 O ATOM 800 OXT TYR A 50 12.958 -20.497 -2.828 1.00 0.00 O ATOM 0 H TYR A 50 11.419 -16.553 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 50 11.123 -19.055 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.790 -19.774 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.803 -18.413 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 50 13.276 -19.039 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.780 -16.545 -4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 50 14.315 -17.644 -6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.821 -15.147 -6.559 1.00 0.00 H new ATOM 0 HH TYR A 50 12.596 -14.808 -7.868 1.00 0.00 H new TER 810 TYR A 50