USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 61:sc= 0.0363 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -32:sc= -3.24! USER MOD Single : A 11 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 15 SER OG : rot 18:sc= 0.233 USER MOD Single : A 16 TYR OH : rot 180:sc= -2.2 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.0145 X(o=0.015,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -7.77! C(o=-7.8!,f=-6.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -152:sc= -4.57! USER MOD Single : A 53 MET CE :methyl -170:sc= -1.26 (180deg=-1.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.44) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.760 -20.893 -2.275 1.00 0.00 N ATOM 2 CA GLY A 1 -9.627 -19.984 -2.281 1.00 0.00 C ATOM 3 C GLY A 1 -9.657 -19.079 -3.514 1.00 0.00 C ATOM 4 O GLY A 1 -9.687 -19.565 -4.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.717 -21.496 -1.429 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.644 -20.346 -2.265 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.731 -21.489 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.641 -19.374 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.698 -20.555 -2.267 1.00 0.00 H new ATOM 8 N SER A 2 -9.648 -17.780 -3.256 1.00 0.00 N ATOM 9 CA SER A 2 -9.673 -16.803 -4.331 1.00 0.00 C ATOM 10 C SER A 2 -10.945 -16.974 -5.164 1.00 0.00 C ATOM 11 O SER A 2 -11.026 -17.871 -6.002 1.00 0.00 O ATOM 12 CB SER A 2 -8.435 -16.931 -5.221 1.00 0.00 C ATOM 13 OG SER A 2 -7.366 -16.104 -4.770 1.00 0.00 O ATOM 0 H SER A 2 -9.624 -17.381 -2.318 1.00 0.00 H new ATOM 0 HA SER A 2 -9.667 -15.807 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.107 -17.970 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.695 -16.662 -6.245 1.00 0.00 H new ATOM 0 HG SER A 2 -6.594 -16.215 -5.363 1.00 0.00 H new ATOM 19 N SER A 3 -11.906 -16.101 -4.904 1.00 0.00 N ATOM 20 CA SER A 3 -13.171 -16.144 -5.619 1.00 0.00 C ATOM 21 C SER A 3 -14.065 -14.987 -5.171 1.00 0.00 C ATOM 22 O SER A 3 -14.498 -14.179 -5.991 1.00 0.00 O ATOM 23 CB SER A 3 -13.882 -17.481 -5.400 1.00 0.00 C ATOM 24 OG SER A 3 -13.959 -18.247 -6.598 1.00 0.00 O ATOM 0 H SER A 3 -11.835 -15.359 -4.208 1.00 0.00 H new ATOM 0 HA SER A 3 -12.965 -16.043 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.353 -18.053 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.888 -17.299 -5.021 1.00 0.00 H new ATOM 0 HG SER A 3 -13.054 -18.450 -6.915 1.00 0.00 H new ATOM 30 N GLY A 4 -14.316 -14.944 -3.870 1.00 0.00 N ATOM 31 CA GLY A 4 -15.151 -13.899 -3.303 1.00 0.00 C ATOM 32 C GLY A 4 -14.349 -13.014 -2.347 1.00 0.00 C ATOM 33 O GLY A 4 -14.215 -11.813 -2.572 1.00 0.00 O ATOM 0 H GLY A 4 -13.956 -15.616 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.570 -13.289 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.990 -14.348 -2.771 1.00 0.00 H new ATOM 37 N SER A 5 -13.837 -13.643 -1.299 1.00 0.00 N ATOM 38 CA SER A 5 -13.052 -12.928 -0.307 1.00 0.00 C ATOM 39 C SER A 5 -11.857 -12.247 -0.978 1.00 0.00 C ATOM 40 O SER A 5 -10.850 -12.892 -1.263 1.00 0.00 O ATOM 41 CB SER A 5 -12.573 -13.870 0.800 1.00 0.00 C ATOM 42 OG SER A 5 -11.457 -13.338 1.508 1.00 0.00 O ATOM 0 H SER A 5 -13.951 -14.640 -1.115 1.00 0.00 H new ATOM 0 HA SER A 5 -13.687 -12.168 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.390 -14.055 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.301 -14.832 0.365 1.00 0.00 H new ATOM 0 HG SER A 5 -11.182 -13.968 2.207 1.00 0.00 H new ATOM 48 N SER A 6 -12.009 -10.951 -1.209 1.00 0.00 N ATOM 49 CA SER A 6 -10.955 -10.175 -1.841 1.00 0.00 C ATOM 50 C SER A 6 -10.845 -8.803 -1.175 1.00 0.00 C ATOM 51 O SER A 6 -11.841 -8.256 -0.703 1.00 0.00 O ATOM 52 CB SER A 6 -11.210 -10.019 -3.341 1.00 0.00 C ATOM 53 OG SER A 6 -9.996 -9.926 -4.082 1.00 0.00 O ATOM 0 H SER A 6 -12.846 -10.419 -0.970 1.00 0.00 H new ATOM 0 HA SER A 6 -10.013 -10.709 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.790 -10.869 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.811 -9.126 -3.516 1.00 0.00 H new ATOM 0 HG SER A 6 -10.201 -9.829 -5.035 1.00 0.00 H new ATOM 59 N GLY A 7 -9.626 -8.285 -1.157 1.00 0.00 N ATOM 60 CA GLY A 7 -9.373 -6.986 -0.556 1.00 0.00 C ATOM 61 C GLY A 7 -8.427 -7.110 0.640 1.00 0.00 C ATOM 62 O GLY A 7 -8.734 -7.804 1.608 1.00 0.00 O ATOM 0 H GLY A 7 -8.802 -8.741 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.940 -6.316 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.314 -6.540 -0.235 1.00 0.00 H new ATOM 66 N ARG A 8 -7.298 -6.426 0.535 1.00 0.00 N ATOM 67 CA ARG A 8 -6.306 -6.451 1.596 1.00 0.00 C ATOM 68 C ARG A 8 -6.011 -5.030 2.081 1.00 0.00 C ATOM 69 O ARG A 8 -6.164 -4.069 1.328 1.00 0.00 O ATOM 70 CB ARG A 8 -5.005 -7.099 1.119 1.00 0.00 C ATOM 71 CG ARG A 8 -4.962 -8.583 1.492 1.00 0.00 C ATOM 72 CD ARG A 8 -3.685 -8.918 2.264 1.00 0.00 C ATOM 73 NE ARG A 8 -3.814 -10.246 2.904 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.095 -10.643 3.963 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.191 -9.817 4.506 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.279 -11.867 4.477 1.00 0.00 N ATOM 0 H ARG A 8 -7.048 -5.851 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.714 -7.042 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.915 -6.989 0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.154 -6.584 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.833 -8.835 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.015 -9.190 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.830 -8.912 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.498 -8.157 3.021 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.493 -10.900 2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.050 -8.886 4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.644 -10.119 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.966 -12.496 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.732 -12.169 5.283 1.00 0.00 H new ATOM 90 N ARG A 9 -5.595 -4.941 3.336 1.00 0.00 N ATOM 91 CA ARG A 9 -5.279 -3.654 3.930 1.00 0.00 C ATOM 92 C ARG A 9 -3.876 -3.682 4.541 1.00 0.00 C ATOM 93 O ARG A 9 -3.454 -4.699 5.088 1.00 0.00 O ATOM 94 CB ARG A 9 -6.292 -3.283 5.015 1.00 0.00 C ATOM 95 CG ARG A 9 -7.252 -2.199 4.521 1.00 0.00 C ATOM 96 CD ARG A 9 -8.210 -1.767 5.633 1.00 0.00 C ATOM 97 NE ARG A 9 -8.329 -0.292 5.653 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.189 0.403 4.895 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.010 -0.239 4.053 1.00 0.00 N ATOM 100 NH2 ARG A 9 -9.227 1.740 4.980 1.00 0.00 N ATOM 0 H ARG A 9 -5.470 -5.740 3.958 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.321 -2.905 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.857 -4.168 5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.767 -2.931 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.684 -1.337 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.822 -2.573 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.190 -2.217 5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.847 -2.124 6.597 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.718 0.228 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.981 -1.257 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.664 0.290 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.602 2.228 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.881 2.269 4.403 1.00 0.00 H new ATOM 114 N CYS A 10 -3.193 -2.552 4.426 1.00 0.00 N ATOM 115 CA CYS A 10 -1.846 -2.435 4.960 1.00 0.00 C ATOM 116 C CYS A 10 -1.617 -0.978 5.369 1.00 0.00 C ATOM 117 O CYS A 10 -2.126 -0.062 4.725 1.00 0.00 O ATOM 118 CB CYS A 10 -0.796 -2.918 3.957 1.00 0.00 C ATOM 119 SG CYS A 10 -1.362 -4.462 3.153 1.00 0.00 S ATOM 0 H CYS A 10 -3.547 -1.710 3.971 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.741 -3.078 5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.620 -2.150 3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.153 -3.090 4.465 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.083 -5.148 3.990 1.00 0.00 H new ATOM 125 N GLN A 11 -0.852 -0.810 6.437 1.00 0.00 N ATOM 126 CA GLN A 11 -0.549 0.519 6.939 1.00 0.00 C ATOM 127 C GLN A 11 0.908 0.879 6.645 1.00 0.00 C ATOM 128 O GLN A 11 1.825 0.226 7.142 1.00 0.00 O ATOM 129 CB GLN A 11 -0.848 0.620 8.436 1.00 0.00 C ATOM 130 CG GLN A 11 -0.677 2.057 8.934 1.00 0.00 C ATOM 131 CD GLN A 11 -1.527 2.310 10.181 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.492 1.568 11.148 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.289 3.398 10.105 1.00 0.00 N ATOM 0 H GLN A 11 -0.433 -1.573 6.969 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.190 1.235 6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.866 0.283 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.182 -0.042 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.373 2.245 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.963 2.755 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.270 3.976 9.265 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.892 3.654 10.887 1.00 0.00 H new ATOM 142 N VAL A 12 1.077 1.916 5.838 1.00 0.00 N ATOM 143 CA VAL A 12 2.408 2.370 5.472 1.00 0.00 C ATOM 144 C VAL A 12 3.209 2.664 6.741 1.00 0.00 C ATOM 145 O VAL A 12 2.669 3.194 7.712 1.00 0.00 O ATOM 146 CB VAL A 12 2.310 3.575 4.534 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.692 4.174 4.265 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.613 3.196 3.226 1.00 0.00 C ATOM 0 H VAL A 12 0.314 2.455 5.427 1.00 0.00 H new ATOM 0 HA VAL A 12 2.940 1.592 4.925 1.00 0.00 H new ATOM 0 HB VAL A 12 1.705 4.336 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.594 5.029 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.137 4.499 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.331 3.422 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.556 4.070 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.179 2.410 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.606 2.838 3.441 1.00 0.00 H new ATOM 158 N ALA A 13 4.484 2.308 6.694 1.00 0.00 N ATOM 159 CA ALA A 13 5.365 2.527 7.828 1.00 0.00 C ATOM 160 C ALA A 13 6.507 3.456 7.410 1.00 0.00 C ATOM 161 O ALA A 13 7.334 3.841 8.236 1.00 0.00 O ATOM 162 CB ALA A 13 5.870 1.181 8.351 1.00 0.00 C ATOM 0 H ALA A 13 4.928 1.869 5.888 1.00 0.00 H new ATOM 0 HA ALA A 13 4.827 3.012 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.531 1.346 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.022 0.571 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.417 0.666 7.561 1.00 0.00 H new ATOM 168 N PHE A 14 6.517 3.789 6.127 1.00 0.00 N ATOM 169 CA PHE A 14 7.544 4.665 5.589 1.00 0.00 C ATOM 170 C PHE A 14 7.023 5.440 4.377 1.00 0.00 C ATOM 171 O PHE A 14 6.632 4.843 3.375 1.00 0.00 O ATOM 172 CB PHE A 14 8.706 3.773 5.149 1.00 0.00 C ATOM 173 CG PHE A 14 9.087 2.698 6.169 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.378 1.539 6.231 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.134 2.901 7.012 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.731 0.541 7.178 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.487 1.903 7.959 1.00 0.00 C ATOM 178 CZ PHE A 14 9.778 0.744 8.022 1.00 0.00 C ATOM 0 H PHE A 14 5.830 3.468 5.445 1.00 0.00 H new ATOM 0 HA PHE A 14 7.850 5.389 6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.443 3.290 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.577 4.399 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.547 1.378 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.697 3.821 6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.168 -0.379 7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.318 2.064 8.629 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.046 -0.015 8.742 1.00 0.00 H new ATOM 188 N SER A 15 7.035 6.758 4.508 1.00 0.00 N ATOM 189 CA SER A 15 6.569 7.621 3.436 1.00 0.00 C ATOM 190 C SER A 15 7.426 7.411 2.186 1.00 0.00 C ATOM 191 O SER A 15 8.651 7.494 2.248 1.00 0.00 O ATOM 192 CB SER A 15 6.599 9.091 3.859 1.00 0.00 C ATOM 193 OG SER A 15 7.927 9.550 4.101 1.00 0.00 O ATOM 0 H SER A 15 7.360 7.250 5.340 1.00 0.00 H new ATOM 0 HA SER A 15 5.536 7.358 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.140 9.702 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.000 9.221 4.761 1.00 0.00 H new ATOM 0 HG SER A 15 8.567 8.932 3.689 1.00 0.00 H new ATOM 199 N TYR A 16 6.746 7.144 1.080 1.00 0.00 N ATOM 200 CA TYR A 16 7.430 6.921 -0.183 1.00 0.00 C ATOM 201 C TYR A 16 7.052 7.993 -1.207 1.00 0.00 C ATOM 202 O TYR A 16 5.875 8.179 -1.511 1.00 0.00 O ATOM 203 CB TYR A 16 6.950 5.559 -0.688 1.00 0.00 C ATOM 204 CG TYR A 16 7.438 5.210 -2.095 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.687 5.572 -3.196 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.628 4.533 -2.265 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.146 5.244 -4.520 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.088 4.205 -3.590 1.00 0.00 C ATOM 209 CZ TYR A 16 8.324 4.576 -4.652 1.00 0.00 C ATOM 210 OH TYR A 16 8.758 4.266 -5.903 1.00 0.00 O ATOM 0 H TYR A 16 5.729 7.077 1.032 1.00 0.00 H new ATOM 0 HA TYR A 16 8.511 6.959 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.287 4.787 0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.860 5.543 -0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.755 6.101 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.215 4.249 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.568 5.522 -5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.018 3.677 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 16 9.613 3.790 -5.844 1.00 0.00 H new ATOM 220 N LEU A 17 8.073 8.672 -1.710 1.00 0.00 N ATOM 221 CA LEU A 17 7.863 9.721 -2.693 1.00 0.00 C ATOM 222 C LEU A 17 7.930 9.118 -4.098 1.00 0.00 C ATOM 223 O LEU A 17 8.930 8.502 -4.466 1.00 0.00 O ATOM 224 CB LEU A 17 8.848 10.870 -2.469 1.00 0.00 C ATOM 225 CG LEU A 17 8.740 11.594 -1.126 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.517 12.512 -1.095 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.739 10.597 0.035 1.00 0.00 C ATOM 0 H LEU A 17 9.048 8.516 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 17 6.870 10.156 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.861 10.479 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.710 11.601 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 17 9.620 12.226 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.464 13.015 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.600 13.256 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.614 11.920 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.661 11.137 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.890 9.921 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.665 10.022 0.021 1.00 0.00 H new ATOM 239 N PRO A 18 6.825 9.321 -4.864 1.00 0.00 N ATOM 240 CA PRO A 18 6.749 8.805 -6.220 1.00 0.00 C ATOM 241 C PRO A 18 7.606 9.640 -7.174 1.00 0.00 C ATOM 242 O PRO A 18 7.303 10.804 -7.427 1.00 0.00 O ATOM 243 CB PRO A 18 5.271 8.834 -6.570 1.00 0.00 C ATOM 244 CG PRO A 18 4.627 9.793 -5.581 1.00 0.00 C ATOM 245 CD PRO A 18 5.623 10.045 -4.461 1.00 0.00 C ATOM 0 HA PRO A 18 7.145 7.793 -6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.119 9.170 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.832 7.839 -6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.362 10.728 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.705 9.369 -5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.823 11.110 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.244 9.683 -3.505 1.00 0.00 H new ATOM 253 N GLN A 19 8.659 9.012 -7.676 1.00 0.00 N ATOM 254 CA GLN A 19 9.562 9.682 -8.595 1.00 0.00 C ATOM 255 C GLN A 19 8.912 9.818 -9.974 1.00 0.00 C ATOM 256 O GLN A 19 9.520 10.349 -10.901 1.00 0.00 O ATOM 257 CB GLN A 19 10.898 8.942 -8.690 1.00 0.00 C ATOM 258 CG GLN A 19 11.344 8.437 -7.316 1.00 0.00 C ATOM 259 CD GLN A 19 12.724 8.987 -6.952 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.747 8.354 -7.158 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.697 10.197 -6.401 1.00 0.00 N ATOM 0 H GLN A 19 8.907 8.046 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 19 9.764 10.681 -8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.804 8.101 -9.377 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.658 9.607 -9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.618 8.738 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.371 7.347 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.806 10.672 -6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.567 10.650 -6.123 1.00 0.00 H new ATOM 270 N ASN A 20 7.684 9.329 -10.064 1.00 0.00 N ATOM 271 CA ASN A 20 6.944 9.389 -11.313 1.00 0.00 C ATOM 272 C ASN A 20 5.552 9.966 -11.049 1.00 0.00 C ATOM 273 O ASN A 20 5.246 10.371 -9.928 1.00 0.00 O ATOM 274 CB ASN A 20 6.771 7.994 -11.918 1.00 0.00 C ATOM 275 CG ASN A 20 8.099 7.235 -11.936 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.892 7.342 -12.857 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.296 6.465 -10.870 1.00 0.00 N ATOM 0 H ASN A 20 7.183 8.889 -9.292 1.00 0.00 H new ATOM 0 HA ASN A 20 7.504 10.016 -12.007 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.035 7.433 -11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.383 8.080 -12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.153 5.918 -10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.590 6.422 -10.135 1.00 0.00 H new ATOM 284 N ASP A 21 4.745 9.985 -12.100 1.00 0.00 N ATOM 285 CA ASP A 21 3.393 10.506 -11.996 1.00 0.00 C ATOM 286 C ASP A 21 2.396 9.352 -12.116 1.00 0.00 C ATOM 287 O ASP A 21 1.243 9.560 -12.491 1.00 0.00 O ATOM 288 CB ASP A 21 3.099 11.504 -13.118 1.00 0.00 C ATOM 289 CG ASP A 21 2.155 12.646 -12.737 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.285 12.399 -11.874 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.324 13.740 -13.318 1.00 0.00 O ATOM 0 H ASP A 21 5.002 9.648 -13.028 1.00 0.00 H new ATOM 0 HA ASP A 21 3.298 11.008 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.042 11.931 -13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.669 10.963 -13.961 1.00 0.00 H new ATOM 296 N ASP A 22 2.876 8.161 -11.790 1.00 0.00 N ATOM 297 CA ASP A 22 2.041 6.974 -11.857 1.00 0.00 C ATOM 298 C ASP A 22 2.314 6.094 -10.635 1.00 0.00 C ATOM 299 O ASP A 22 1.903 4.935 -10.596 1.00 0.00 O ATOM 300 CB ASP A 22 2.351 6.152 -13.110 1.00 0.00 C ATOM 301 CG ASP A 22 1.153 5.416 -13.713 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.026 5.926 -13.537 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.392 4.359 -14.337 1.00 0.00 O ATOM 0 H ASP A 22 3.833 7.993 -11.479 1.00 0.00 H new ATOM 0 HA ASP A 22 1.000 7.296 -11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.769 6.815 -13.867 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.122 5.421 -12.865 1.00 0.00 H new ATOM 308 N GLU A 23 3.006 6.678 -9.668 1.00 0.00 N ATOM 309 CA GLU A 23 3.339 5.962 -8.448 1.00 0.00 C ATOM 310 C GLU A 23 2.533 6.516 -7.271 1.00 0.00 C ATOM 311 O GLU A 23 2.129 7.677 -7.282 1.00 0.00 O ATOM 312 CB GLU A 23 4.841 6.030 -8.165 1.00 0.00 C ATOM 313 CG GLU A 23 5.573 4.849 -8.806 1.00 0.00 C ATOM 314 CD GLU A 23 6.820 4.475 -8.002 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.642 3.829 -6.947 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.923 4.845 -8.460 1.00 0.00 O ATOM 0 H GLU A 23 3.345 7.639 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 23 3.075 4.913 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.245 6.966 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.012 6.028 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.904 3.991 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.857 5.103 -9.827 1.00 0.00 H new ATOM 323 N LEU A 24 2.324 5.658 -6.283 1.00 0.00 N ATOM 324 CA LEU A 24 1.574 6.047 -5.101 1.00 0.00 C ATOM 325 C LEU A 24 2.528 6.670 -4.079 1.00 0.00 C ATOM 326 O LEU A 24 3.682 6.258 -3.970 1.00 0.00 O ATOM 327 CB LEU A 24 0.780 4.859 -4.555 1.00 0.00 C ATOM 328 CG LEU A 24 -0.615 4.654 -5.151 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.405 3.616 -4.352 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.364 5.984 -5.261 1.00 0.00 C ATOM 0 H LEU A 24 2.661 4.695 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 24 0.834 6.807 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.361 3.952 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.679 4.980 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.501 4.263 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.392 3.489 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.875 2.664 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.512 3.954 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.352 5.811 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.469 6.426 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.805 6.664 -5.904 1.00 0.00 H new ATOM 342 N GLU A 25 2.011 7.652 -3.357 1.00 0.00 N ATOM 343 CA GLU A 25 2.802 8.336 -2.348 1.00 0.00 C ATOM 344 C GLU A 25 2.486 7.779 -0.958 1.00 0.00 C ATOM 345 O GLU A 25 1.490 8.158 -0.345 1.00 0.00 O ATOM 346 CB GLU A 25 2.568 9.847 -2.399 1.00 0.00 C ATOM 347 CG GLU A 25 3.334 10.558 -1.281 1.00 0.00 C ATOM 348 CD GLU A 25 3.004 12.052 -1.256 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.813 12.374 -1.455 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.951 12.838 -1.037 1.00 0.00 O ATOM 0 H GLU A 25 1.054 7.991 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 25 3.856 8.157 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.886 10.235 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.503 10.057 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.082 10.110 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.406 10.421 -1.425 1.00 0.00 H new ATOM 357 N LEU A 26 3.354 6.887 -0.502 1.00 0.00 N ATOM 358 CA LEU A 26 3.180 6.273 0.803 1.00 0.00 C ATOM 359 C LEU A 26 3.496 7.302 1.891 1.00 0.00 C ATOM 360 O LEU A 26 4.301 8.207 1.680 1.00 0.00 O ATOM 361 CB LEU A 26 4.011 4.993 0.909 1.00 0.00 C ATOM 362 CG LEU A 26 3.928 4.039 -0.285 1.00 0.00 C ATOM 363 CD1 LEU A 26 4.958 2.915 -0.162 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.507 3.498 -0.457 1.00 0.00 C ATOM 0 H LEU A 26 4.180 6.575 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 26 2.144 5.965 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.055 5.272 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.698 4.453 1.803 1.00 0.00 H new ATOM 0 HG LEU A 26 4.170 4.600 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.877 2.252 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.960 3.342 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.772 2.349 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.476 2.823 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.212 2.958 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.820 4.327 -0.624 1.00 0.00 H new ATOM 376 N LYS A 27 2.845 7.128 3.032 1.00 0.00 N ATOM 377 CA LYS A 27 3.046 8.030 4.154 1.00 0.00 C ATOM 378 C LYS A 27 2.809 7.271 5.461 1.00 0.00 C ATOM 379 O LYS A 27 1.669 7.125 5.900 1.00 0.00 O ATOM 380 CB LYS A 27 2.175 9.278 4.000 1.00 0.00 C ATOM 381 CG LYS A 27 2.976 10.435 3.401 1.00 0.00 C ATOM 382 CD LYS A 27 2.457 11.782 3.908 1.00 0.00 C ATOM 383 CE LYS A 27 3.234 12.238 5.145 1.00 0.00 C ATOM 384 NZ LYS A 27 2.792 13.587 5.566 1.00 0.00 N ATOM 0 H LYS A 27 2.178 6.376 3.204 1.00 0.00 H new ATOM 0 HA LYS A 27 4.075 8.389 4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.321 9.053 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.778 9.571 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.029 10.326 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.911 10.402 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.548 12.530 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.397 11.700 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.083 11.529 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.302 12.250 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.329 13.882 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.959 14.264 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.777 13.565 5.794 1.00 0.00 H new ATOM 398 N VAL A 28 3.903 6.809 6.046 1.00 0.00 N ATOM 399 CA VAL A 28 3.829 6.069 7.295 1.00 0.00 C ATOM 400 C VAL A 28 2.606 6.535 8.087 1.00 0.00 C ATOM 401 O VAL A 28 2.642 7.582 8.732 1.00 0.00 O ATOM 402 CB VAL A 28 5.138 6.221 8.072 1.00 0.00 C ATOM 403 CG1 VAL A 28 5.513 7.696 8.232 1.00 0.00 C ATOM 404 CG2 VAL A 28 5.051 5.527 9.433 1.00 0.00 C ATOM 0 H VAL A 28 4.847 6.932 5.679 1.00 0.00 H new ATOM 0 HA VAL A 28 3.704 5.004 7.101 1.00 0.00 H new ATOM 0 HB VAL A 28 5.927 5.735 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.447 7.776 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.636 8.149 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.723 8.216 8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.994 5.650 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.245 5.971 10.017 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.852 4.465 9.288 1.00 0.00 H new ATOM 414 N GLY A 29 1.552 5.736 8.012 1.00 0.00 N ATOM 415 CA GLY A 29 0.320 6.054 8.714 1.00 0.00 C ATOM 416 C GLY A 29 -0.879 6.008 7.765 1.00 0.00 C ATOM 417 O GLY A 29 -2.020 6.183 8.191 1.00 0.00 O ATOM 0 H GLY A 29 1.526 4.869 7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.170 5.347 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.397 7.045 9.161 1.00 0.00 H new ATOM 421 N ASP A 30 -0.580 5.771 6.496 1.00 0.00 N ATOM 422 CA ASP A 30 -1.619 5.700 5.483 1.00 0.00 C ATOM 423 C ASP A 30 -1.969 4.234 5.219 1.00 0.00 C ATOM 424 O ASP A 30 -1.085 3.380 5.174 1.00 0.00 O ATOM 425 CB ASP A 30 -1.148 6.318 4.165 1.00 0.00 C ATOM 426 CG ASP A 30 -1.232 7.845 4.100 1.00 0.00 C ATOM 427 OD1 ASP A 30 -1.683 8.431 5.107 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.845 8.390 3.044 1.00 0.00 O ATOM 0 H ASP A 30 0.367 5.626 6.146 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.485 6.251 5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.115 6.018 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.743 5.901 3.353 1.00 0.00 H new ATOM 433 N ILE A 31 -3.260 3.988 5.051 1.00 0.00 N ATOM 434 CA ILE A 31 -3.737 2.640 4.792 1.00 0.00 C ATOM 435 C ILE A 31 -4.134 2.518 3.320 1.00 0.00 C ATOM 436 O ILE A 31 -4.960 3.286 2.830 1.00 0.00 O ATOM 437 CB ILE A 31 -4.860 2.274 5.764 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.596 2.858 7.153 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.073 0.759 5.811 1.00 0.00 C ATOM 440 CD1 ILE A 31 -4.980 4.338 7.208 1.00 0.00 C ATOM 0 H ILE A 31 -3.990 4.699 5.089 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.943 1.914 4.969 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.786 2.719 5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.165 2.303 7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.542 2.743 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.877 0.526 6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.340 0.398 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.155 0.272 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.782 4.728 8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.392 4.894 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.040 4.448 6.979 1.00 0.00 H new ATOM 452 N ILE A 32 -3.527 1.546 2.655 1.00 0.00 N ATOM 453 CA ILE A 32 -3.807 1.313 1.248 1.00 0.00 C ATOM 454 C ILE A 32 -4.632 0.033 1.102 1.00 0.00 C ATOM 455 O ILE A 32 -4.177 -1.049 1.469 1.00 0.00 O ATOM 456 CB ILE A 32 -2.509 1.303 0.438 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.968 2.722 0.252 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.702 0.583 -0.898 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.470 2.783 0.555 1.00 0.00 C ATOM 0 H ILE A 32 -2.842 0.911 3.064 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.405 2.127 0.839 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.760 0.744 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.149 3.053 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.503 3.408 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.764 0.590 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.008 -0.447 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.472 1.092 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.112 3.803 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.294 2.475 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.065 2.115 -0.119 1.00 0.00 H new ATOM 471 N GLU A 33 -5.832 0.199 0.565 1.00 0.00 N ATOM 472 CA GLU A 33 -6.726 -0.929 0.366 1.00 0.00 C ATOM 473 C GLU A 33 -6.195 -1.836 -0.746 1.00 0.00 C ATOM 474 O GLU A 33 -6.726 -1.840 -1.856 1.00 0.00 O ATOM 475 CB GLU A 33 -8.147 -0.455 0.055 1.00 0.00 C ATOM 476 CG GLU A 33 -9.098 -0.782 1.209 1.00 0.00 C ATOM 477 CD GLU A 33 -10.557 -0.622 0.778 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.857 0.427 0.168 1.00 0.00 O ATOM 479 OE2 GLU A 33 -11.340 -1.553 1.068 1.00 0.00 O ATOM 0 H GLU A 33 -6.206 1.098 0.262 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.765 -1.504 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.144 0.620 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.501 -0.931 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.925 -1.803 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.890 -0.125 2.054 1.00 0.00 H new ATOM 486 N VAL A 34 -5.154 -2.584 -0.410 1.00 0.00 N ATOM 487 CA VAL A 34 -4.546 -3.493 -1.366 1.00 0.00 C ATOM 488 C VAL A 34 -5.643 -4.164 -2.195 1.00 0.00 C ATOM 489 O VAL A 34 -6.397 -4.989 -1.680 1.00 0.00 O ATOM 490 CB VAL A 34 -3.649 -4.496 -0.638 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.969 -5.443 -1.628 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.615 -3.776 0.231 1.00 0.00 C ATOM 0 H VAL A 34 -4.716 -2.579 0.511 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.905 -2.946 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.280 -5.095 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.337 -6.145 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.728 -5.993 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.357 -4.866 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.990 -4.511 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.991 -3.141 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.127 -3.162 0.972 1.00 0.00 H new ATOM 502 N VAL A 35 -5.698 -3.786 -3.463 1.00 0.00 N ATOM 503 CA VAL A 35 -6.691 -4.341 -4.367 1.00 0.00 C ATOM 504 C VAL A 35 -6.087 -5.536 -5.109 1.00 0.00 C ATOM 505 O VAL A 35 -6.726 -6.579 -5.235 1.00 0.00 O ATOM 506 CB VAL A 35 -7.207 -3.252 -5.310 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.843 -2.103 -4.523 1.00 0.00 C ATOM 508 CG2 VAL A 35 -6.091 -2.740 -6.222 1.00 0.00 C ATOM 0 H VAL A 35 -5.071 -3.102 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.554 -4.706 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.978 -3.694 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.202 -1.342 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.679 -2.483 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.101 -1.665 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.486 -1.967 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.287 -2.323 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.703 -3.564 -6.821 1.00 0.00 H new ATOM 518 N GLY A 36 -4.864 -5.343 -5.580 1.00 0.00 N ATOM 519 CA GLY A 36 -4.168 -6.391 -6.306 1.00 0.00 C ATOM 520 C GLY A 36 -2.653 -6.262 -6.137 1.00 0.00 C ATOM 521 O GLY A 36 -2.181 -5.683 -5.159 1.00 0.00 O ATOM 0 H GLY A 36 -4.337 -4.476 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.496 -7.366 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.425 -6.338 -7.364 1.00 0.00 H new ATOM 525 N GLU A 37 -1.932 -6.809 -7.105 1.00 0.00 N ATOM 526 CA GLU A 37 -0.480 -6.762 -7.075 1.00 0.00 C ATOM 527 C GLU A 37 0.075 -6.624 -8.494 1.00 0.00 C ATOM 528 O GLU A 37 -0.417 -7.263 -9.423 1.00 0.00 O ATOM 529 CB GLU A 37 0.094 -7.998 -6.380 1.00 0.00 C ATOM 530 CG GLU A 37 1.560 -8.211 -6.764 1.00 0.00 C ATOM 531 CD GLU A 37 1.683 -9.181 -7.941 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.053 -10.258 -7.857 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.403 -8.823 -8.898 1.00 0.00 O ATOM 0 H GLU A 37 -2.327 -7.287 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.176 -5.888 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.010 -7.884 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.489 -8.877 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.013 -7.255 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.111 -8.600 -5.908 1.00 0.00 H new ATOM 540 N VAL A 38 1.093 -5.785 -8.618 1.00 0.00 N ATOM 541 CA VAL A 38 1.720 -5.554 -9.908 1.00 0.00 C ATOM 542 C VAL A 38 2.849 -6.567 -10.109 1.00 0.00 C ATOM 543 O VAL A 38 2.727 -7.485 -10.919 1.00 0.00 O ATOM 544 CB VAL A 38 2.195 -4.103 -10.007 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.576 -3.748 -11.446 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.135 -3.141 -9.467 1.00 0.00 C ATOM 0 H VAL A 38 1.499 -5.257 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 38 1.001 -5.702 -10.714 1.00 0.00 H new ATOM 0 HB VAL A 38 3.087 -3.999 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.910 -2.711 -11.489 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.380 -4.403 -11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.709 -3.877 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.498 -2.116 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.218 -3.248 -10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.933 -3.372 -8.421 1.00 0.00 H new ATOM 556 N GLU A 39 3.923 -6.366 -9.359 1.00 0.00 N ATOM 557 CA GLU A 39 5.072 -7.251 -9.445 1.00 0.00 C ATOM 558 C GLU A 39 5.719 -7.417 -8.069 1.00 0.00 C ATOM 559 O GLU A 39 5.488 -6.610 -7.169 1.00 0.00 O ATOM 560 CB GLU A 39 6.085 -6.735 -10.469 1.00 0.00 C ATOM 561 CG GLU A 39 6.465 -5.281 -10.180 1.00 0.00 C ATOM 562 CD GLU A 39 7.530 -4.787 -11.161 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.165 -4.577 -12.337 1.00 0.00 O ATOM 564 OE2 GLU A 39 8.686 -4.632 -10.711 1.00 0.00 O ATOM 0 H GLU A 39 4.021 -5.603 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 39 4.729 -8.229 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.978 -7.359 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.665 -6.812 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.580 -4.649 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.838 -5.195 -9.159 1.00 0.00 H new ATOM 571 N GLU A 40 6.517 -8.468 -7.948 1.00 0.00 N ATOM 572 CA GLU A 40 7.198 -8.749 -6.696 1.00 0.00 C ATOM 573 C GLU A 40 7.687 -7.449 -6.053 1.00 0.00 C ATOM 574 O GLU A 40 8.131 -6.538 -6.749 1.00 0.00 O ATOM 575 CB GLU A 40 8.358 -9.724 -6.910 1.00 0.00 C ATOM 576 CG GLU A 40 9.486 -9.068 -7.709 1.00 0.00 C ATOM 577 CD GLU A 40 9.754 -9.831 -9.008 1.00 0.00 C ATOM 578 OE1 GLU A 40 8.901 -9.723 -9.916 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.805 -10.505 -9.063 1.00 0.00 O ATOM 0 H GLU A 40 6.707 -9.135 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 40 6.488 -9.222 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.738 -10.059 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.001 -10.609 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.222 -8.036 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.394 -9.039 -7.106 1.00 0.00 H new ATOM 586 N GLY A 41 7.588 -7.406 -4.733 1.00 0.00 N ATOM 587 CA GLY A 41 8.014 -6.233 -3.989 1.00 0.00 C ATOM 588 C GLY A 41 7.197 -5.003 -4.388 1.00 0.00 C ATOM 589 O GLY A 41 7.598 -3.872 -4.119 1.00 0.00 O ATOM 0 H GLY A 41 7.219 -8.164 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.903 -6.416 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.072 -6.046 -4.173 1.00 0.00 H new ATOM 593 N TRP A 42 6.064 -5.266 -5.024 1.00 0.00 N ATOM 594 CA TRP A 42 5.186 -4.195 -5.463 1.00 0.00 C ATOM 595 C TRP A 42 3.756 -4.737 -5.492 1.00 0.00 C ATOM 596 O TRP A 42 3.507 -5.812 -6.035 1.00 0.00 O ATOM 597 CB TRP A 42 5.640 -3.633 -6.812 1.00 0.00 C ATOM 598 CG TRP A 42 6.942 -2.832 -6.747 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.196 -3.301 -6.684 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.068 -1.395 -6.741 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.117 -2.275 -6.639 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.410 -1.079 -6.674 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.082 -0.394 -6.791 1.00 0.00 C ATOM 604 CZ2 TRP A 42 8.887 0.237 -6.650 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.575 0.915 -6.766 1.00 0.00 C ATOM 606 CH2 TRP A 42 7.922 1.250 -6.699 1.00 0.00 C ATOM 0 H TRP A 42 5.734 -6.205 -5.246 1.00 0.00 H new ATOM 0 HA TRP A 42 5.225 -3.355 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.768 -4.458 -7.513 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.852 -2.994 -7.211 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.453 -4.350 -6.670 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.131 -2.376 -6.589 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.027 -0.618 -6.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.943 0.459 -6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.858 1.722 -6.801 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.223 2.287 -6.685 1.00 0.00 H new ATOM 617 N TRP A 43 2.854 -3.969 -4.900 1.00 0.00 N ATOM 618 CA TRP A 43 1.455 -4.359 -4.850 1.00 0.00 C ATOM 619 C TRP A 43 0.626 -3.225 -5.458 1.00 0.00 C ATOM 620 O TRP A 43 1.166 -2.178 -5.812 1.00 0.00 O ATOM 621 CB TRP A 43 1.033 -4.708 -3.422 1.00 0.00 C ATOM 622 CG TRP A 43 1.625 -6.020 -2.901 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.168 -7.018 -3.611 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.711 -6.437 -1.522 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.597 -8.044 -2.793 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.310 -7.679 -1.483 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.296 -5.785 -0.347 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.548 -8.378 -0.293 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.542 -6.497 0.833 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.143 -7.748 0.890 1.00 0.00 C ATOM 0 H TRP A 43 3.064 -3.078 -4.450 1.00 0.00 H new ATOM 0 HA TRP A 43 1.287 -5.265 -5.432 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.332 -3.897 -2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.054 -4.770 -3.380 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.259 -7.020 -4.687 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.043 -8.911 -3.095 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.825 -4.813 -0.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.018 -9.350 -0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.243 -6.041 1.765 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.297 -8.233 1.843 1.00 0.00 H new ATOM 641 N GLU A 44 -0.671 -3.473 -5.561 1.00 0.00 N ATOM 642 CA GLU A 44 -1.580 -2.486 -6.119 1.00 0.00 C ATOM 643 C GLU A 44 -2.736 -2.221 -5.153 1.00 0.00 C ATOM 644 O GLU A 44 -3.449 -3.145 -4.765 1.00 0.00 O ATOM 645 CB GLU A 44 -2.100 -2.932 -7.487 1.00 0.00 C ATOM 646 CG GLU A 44 -2.748 -1.765 -8.235 1.00 0.00 C ATOM 647 CD GLU A 44 -2.876 -2.073 -9.728 1.00 0.00 C ATOM 648 OE1 GLU A 44 -3.752 -2.899 -10.064 1.00 0.00 O ATOM 649 OE2 GLU A 44 -2.094 -1.477 -10.499 1.00 0.00 O ATOM 0 H GLU A 44 -1.115 -4.343 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.031 -1.555 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.278 -3.336 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.826 -3.735 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.734 -1.563 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.151 -0.863 -8.096 1.00 0.00 H new ATOM 656 N GLY A 45 -2.885 -0.955 -4.791 1.00 0.00 N ATOM 657 CA GLY A 45 -3.942 -0.558 -3.877 1.00 0.00 C ATOM 658 C GLY A 45 -4.340 0.902 -4.102 1.00 0.00 C ATOM 659 O GLY A 45 -3.920 1.521 -5.078 1.00 0.00 O ATOM 0 H GLY A 45 -2.291 -0.191 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.810 -1.201 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.608 -0.694 -2.848 1.00 0.00 H new ATOM 663 N VAL A 46 -5.146 1.411 -3.181 1.00 0.00 N ATOM 664 CA VAL A 46 -5.606 2.787 -3.267 1.00 0.00 C ATOM 665 C VAL A 46 -5.015 3.590 -2.106 1.00 0.00 C ATOM 666 O VAL A 46 -4.520 3.016 -1.137 1.00 0.00 O ATOM 667 CB VAL A 46 -7.135 2.826 -3.304 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.666 4.111 -2.665 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.652 2.671 -4.736 1.00 0.00 C ATOM 0 H VAL A 46 -5.492 0.895 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.260 3.249 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.507 1.984 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.755 4.114 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.340 4.162 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.281 4.974 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.742 2.702 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.267 3.483 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.317 1.717 -5.143 1.00 0.00 H new ATOM 679 N LEU A 47 -5.087 4.906 -2.242 1.00 0.00 N ATOM 680 CA LEU A 47 -4.566 5.794 -1.217 1.00 0.00 C ATOM 681 C LEU A 47 -5.338 7.115 -1.252 1.00 0.00 C ATOM 682 O LEU A 47 -5.149 7.924 -2.159 1.00 0.00 O ATOM 683 CB LEU A 47 -3.053 5.961 -1.371 1.00 0.00 C ATOM 684 CG LEU A 47 -2.387 6.954 -0.416 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.319 6.388 1.003 1.00 0.00 C ATOM 686 CD2 LEU A 47 -1.009 7.371 -0.933 1.00 0.00 C ATOM 0 H LEU A 47 -5.498 5.379 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.716 5.363 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.584 4.986 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.844 6.275 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.002 7.853 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.841 7.113 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.328 6.182 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.739 5.465 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.557 8.077 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.372 6.491 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.114 7.843 -1.910 1.00 0.00 H new ATOM 698 N ASN A 48 -6.190 7.292 -0.253 1.00 0.00 N ATOM 699 CA ASN A 48 -6.991 8.500 -0.158 1.00 0.00 C ATOM 700 C ASN A 48 -7.697 8.745 -1.493 1.00 0.00 C ATOM 701 O ASN A 48 -8.100 9.869 -1.789 1.00 0.00 O ATOM 702 CB ASN A 48 -6.116 9.718 0.145 1.00 0.00 C ATOM 703 CG ASN A 48 -5.330 10.150 -1.095 1.00 0.00 C ATOM 704 OD1 ASN A 48 -5.883 10.569 -2.098 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.011 10.025 -0.970 1.00 0.00 N ATOM 0 H ASN A 48 -6.343 6.619 0.498 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.712 8.364 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.740 10.542 0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.425 9.482 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.398 10.287 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.613 9.667 -0.102 1.00 0.00 H new ATOM 712 N GLY A 49 -7.826 7.675 -2.263 1.00 0.00 N ATOM 713 CA GLY A 49 -8.477 7.759 -3.559 1.00 0.00 C ATOM 714 C GLY A 49 -7.462 7.600 -4.693 1.00 0.00 C ATOM 715 O GLY A 49 -7.824 7.222 -5.806 1.00 0.00 O ATOM 0 H GLY A 49 -7.490 6.744 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.240 6.985 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.986 8.718 -3.653 1.00 0.00 H new ATOM 719 N LYS A 50 -6.212 7.898 -4.372 1.00 0.00 N ATOM 720 CA LYS A 50 -5.142 7.794 -5.350 1.00 0.00 C ATOM 721 C LYS A 50 -4.752 6.324 -5.517 1.00 0.00 C ATOM 722 O LYS A 50 -4.542 5.618 -4.531 1.00 0.00 O ATOM 723 CB LYS A 50 -3.972 8.700 -4.963 1.00 0.00 C ATOM 724 CG LYS A 50 -3.227 9.193 -6.205 1.00 0.00 C ATOM 725 CD LYS A 50 -1.892 9.835 -5.825 1.00 0.00 C ATOM 726 CE LYS A 50 -1.587 11.038 -6.720 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.684 12.297 -5.947 1.00 0.00 N ATOM 0 H LYS A 50 -5.916 8.212 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.480 8.148 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.341 9.553 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.285 8.156 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.053 8.358 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.843 9.916 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.920 10.151 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.092 9.099 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.587 10.940 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.286 11.063 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.474 13.103 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.646 12.396 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.000 12.277 -5.164 1.00 0.00 H new ATOM 741 N THR A 51 -4.667 5.906 -6.771 1.00 0.00 N ATOM 742 CA THR A 51 -4.305 4.533 -7.080 1.00 0.00 C ATOM 743 C THR A 51 -2.943 4.483 -7.773 1.00 0.00 C ATOM 744 O THR A 51 -2.531 5.450 -8.412 1.00 0.00 O ATOM 745 CB THR A 51 -5.434 3.923 -7.913 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.450 3.627 -6.958 1.00 0.00 O ATOM 747 CG2 THR A 51 -5.060 2.558 -8.495 1.00 0.00 C ATOM 0 H THR A 51 -4.843 6.494 -7.586 1.00 0.00 H new ATOM 0 HA THR A 51 -4.194 3.940 -6.173 1.00 0.00 H new ATOM 0 HB THR A 51 -5.696 4.604 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.989 2.873 -7.277 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.896 2.169 -9.077 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.187 2.664 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.831 1.867 -7.684 1.00 0.00 H new ATOM 755 N GLY A 52 -2.279 3.346 -7.624 1.00 0.00 N ATOM 756 CA GLY A 52 -0.972 3.157 -8.228 1.00 0.00 C ATOM 757 C GLY A 52 -0.289 1.903 -7.678 1.00 0.00 C ATOM 758 O GLY A 52 -0.921 1.095 -6.999 1.00 0.00 O ATOM 0 H GLY A 52 -2.623 2.546 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.076 3.074 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.348 4.030 -8.034 1.00 0.00 H new ATOM 762 N MET A 53 0.993 1.780 -7.991 1.00 0.00 N ATOM 763 CA MET A 53 1.768 0.638 -7.536 1.00 0.00 C ATOM 764 C MET A 53 2.807 1.061 -6.496 1.00 0.00 C ATOM 765 O MET A 53 3.664 1.898 -6.773 1.00 0.00 O ATOM 766 CB MET A 53 2.474 -0.008 -8.730 1.00 0.00 C ATOM 767 CG MET A 53 3.018 1.056 -9.686 1.00 0.00 C ATOM 768 SD MET A 53 4.001 0.285 -10.961 1.00 0.00 S ATOM 769 CE MET A 53 5.408 -0.238 -9.994 1.00 0.00 C ATOM 0 H MET A 53 1.514 2.452 -8.554 1.00 0.00 H new ATOM 0 HA MET A 53 1.089 -0.078 -7.073 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.291 -0.637 -8.377 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.778 -0.658 -9.261 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.193 1.609 -10.136 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.622 1.777 -9.135 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.200 -0.580 -10.660 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.771 0.599 -9.398 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.113 -1.053 -9.333 1.00 0.00 H new ATOM 779 N PHE A 54 2.696 0.462 -5.319 1.00 0.00 N ATOM 780 CA PHE A 54 3.615 0.765 -4.235 1.00 0.00 C ATOM 781 C PHE A 54 4.293 -0.506 -3.719 1.00 0.00 C ATOM 782 O PHE A 54 3.787 -1.609 -3.919 1.00 0.00 O ATOM 783 CB PHE A 54 2.788 1.382 -3.106 1.00 0.00 C ATOM 784 CG PHE A 54 1.909 0.377 -2.358 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.775 -0.099 -2.938 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.263 -0.041 -1.113 1.00 0.00 C ATOM 787 CE1 PHE A 54 -0.040 -1.031 -2.244 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.448 -0.973 -0.419 1.00 0.00 C ATOM 789 CZ PHE A 54 0.313 -1.449 -0.999 1.00 0.00 C ATOM 0 H PHE A 54 1.983 -0.232 -5.093 1.00 0.00 H new ATOM 0 HA PHE A 54 4.393 1.443 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.462 1.860 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.154 2.166 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.494 0.232 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.164 0.336 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.941 -1.408 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.729 -1.304 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.307 -2.158 -0.471 1.00 0.00 H new ATOM 799 N PRO A 55 5.459 -0.303 -3.048 1.00 0.00 N ATOM 800 CA PRO A 55 6.211 -1.420 -2.502 1.00 0.00 C ATOM 801 C PRO A 55 5.541 -1.969 -1.242 1.00 0.00 C ATOM 802 O PRO A 55 4.882 -1.229 -0.512 1.00 0.00 O ATOM 803 CB PRO A 55 7.603 -0.866 -2.242 1.00 0.00 C ATOM 804 CG PRO A 55 7.451 0.646 -2.213 1.00 0.00 C ATOM 805 CD PRO A 55 6.089 0.989 -2.793 1.00 0.00 C ATOM 0 HA PRO A 55 6.255 -2.270 -3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.001 -1.237 -1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.298 -1.174 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.536 1.019 -1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.243 1.120 -2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.501 1.586 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.184 1.571 -3.710 1.00 0.00 H new ATOM 813 N SER A 56 5.731 -3.262 -1.024 1.00 0.00 N ATOM 814 CA SER A 56 5.153 -3.919 0.136 1.00 0.00 C ATOM 815 C SER A 56 6.210 -4.074 1.231 1.00 0.00 C ATOM 816 O SER A 56 5.955 -4.696 2.261 1.00 0.00 O ATOM 817 CB SER A 56 4.571 -5.284 -0.237 1.00 0.00 C ATOM 818 OG SER A 56 5.471 -6.047 -1.036 1.00 0.00 O ATOM 0 H SER A 56 6.277 -3.873 -1.631 1.00 0.00 H new ATOM 0 HA SER A 56 4.340 -3.298 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.334 -5.838 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.635 -5.144 -0.778 1.00 0.00 H new ATOM 0 HG SER A 56 5.064 -6.912 -1.252 1.00 0.00 H new ATOM 824 N ASN A 57 7.374 -3.498 0.971 1.00 0.00 N ATOM 825 CA ASN A 57 8.471 -3.564 1.921 1.00 0.00 C ATOM 826 C ASN A 57 8.400 -2.359 2.861 1.00 0.00 C ATOM 827 O ASN A 57 8.766 -2.457 4.032 1.00 0.00 O ATOM 828 CB ASN A 57 9.823 -3.526 1.206 1.00 0.00 C ATOM 829 CG ASN A 57 10.974 -3.704 2.198 1.00 0.00 C ATOM 830 OD1 ASN A 57 11.390 -2.781 2.879 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.464 -4.939 2.242 1.00 0.00 N ATOM 0 H ASN A 57 7.581 -2.983 0.115 1.00 0.00 H new ATOM 0 HA ASN A 57 8.381 -4.499 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.862 -4.313 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.934 -2.577 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.234 -5.160 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.070 -5.666 1.645 1.00 0.00 H new ATOM 838 N PHE A 58 7.925 -1.249 2.314 1.00 0.00 N ATOM 839 CA PHE A 58 7.801 -0.027 3.089 1.00 0.00 C ATOM 840 C PHE A 58 6.440 0.046 3.784 1.00 0.00 C ATOM 841 O PHE A 58 5.950 1.133 4.087 1.00 0.00 O ATOM 842 CB PHE A 58 7.921 1.140 2.107 1.00 0.00 C ATOM 843 CG PHE A 58 9.327 1.327 1.532 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.228 2.112 2.181 1.00 0.00 C ATOM 845 CD2 PHE A 58 9.674 0.708 0.372 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.532 2.285 1.647 1.00 0.00 C ATOM 847 CE2 PHE A 58 10.979 0.881 -0.162 1.00 0.00 C ATOM 848 CZ PHE A 58 11.880 1.666 0.487 1.00 0.00 C ATOM 0 H PHE A 58 7.622 -1.171 1.343 1.00 0.00 H new ATOM 0 HA PHE A 58 8.574 0.006 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.221 0.984 1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.621 2.058 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.952 2.604 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.958 0.085 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.248 2.908 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.255 0.389 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.872 1.798 0.081 1.00 0.00 H new ATOM 858 N ILE A 59 5.867 -1.126 4.017 1.00 0.00 N ATOM 859 CA ILE A 59 4.572 -1.210 4.671 1.00 0.00 C ATOM 860 C ILE A 59 4.573 -2.388 5.647 1.00 0.00 C ATOM 861 O ILE A 59 5.614 -2.996 5.890 1.00 0.00 O ATOM 862 CB ILE A 59 3.450 -1.273 3.632 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.741 -2.342 2.576 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.206 0.101 3.004 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.269 -3.719 3.046 1.00 0.00 C ATOM 0 H ILE A 59 6.276 -2.026 3.764 1.00 0.00 H new ATOM 0 HA ILE A 59 4.383 -0.311 5.257 1.00 0.00 H new ATOM 0 HB ILE A 59 2.530 -1.563 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.242 -2.082 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.811 -2.372 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.404 0.028 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.923 0.811 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.117 0.444 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.488 -4.460 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.788 -3.987 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.195 -3.692 3.229 1.00 0.00 H new ATOM 877 N LYS A 60 3.394 -2.675 6.179 1.00 0.00 N ATOM 878 CA LYS A 60 3.246 -3.769 7.123 1.00 0.00 C ATOM 879 C LYS A 60 1.802 -4.273 7.092 1.00 0.00 C ATOM 880 O LYS A 60 0.905 -3.631 7.637 1.00 0.00 O ATOM 881 CB LYS A 60 3.718 -3.344 8.515 1.00 0.00 C ATOM 882 CG LYS A 60 2.916 -2.144 9.024 1.00 0.00 C ATOM 883 CD LYS A 60 3.693 -1.381 10.098 1.00 0.00 C ATOM 884 CE LYS A 60 3.077 -1.603 11.481 1.00 0.00 C ATOM 885 NZ LYS A 60 4.085 -2.153 12.415 1.00 0.00 N ATOM 0 H LYS A 60 2.533 -2.169 5.974 1.00 0.00 H new ATOM 0 HA LYS A 60 3.883 -4.606 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.612 -4.178 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.777 -3.090 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.686 -1.477 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.964 -2.485 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.733 -1.709 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.695 -0.317 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.689 -0.661 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.232 -2.288 11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.651 -2.298 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.435 -3.062 12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.878 -1.486 12.502 1.00 0.00 H new ATOM 899 N GLU A 61 1.621 -5.416 6.447 1.00 0.00 N ATOM 900 CA GLU A 61 0.301 -6.013 6.337 1.00 0.00 C ATOM 901 C GLU A 61 -0.398 -6.011 7.698 1.00 0.00 C ATOM 902 O GLU A 61 0.255 -5.899 8.735 1.00 0.00 O ATOM 903 CB GLU A 61 0.386 -7.431 5.767 1.00 0.00 C ATOM 904 CG GLU A 61 1.249 -7.463 4.504 1.00 0.00 C ATOM 905 CD GLU A 61 2.633 -8.043 4.801 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.426 -7.321 5.443 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.867 -9.196 4.378 1.00 0.00 O ATOM 0 H GLU A 61 2.367 -5.945 5.995 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.291 -5.413 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.805 -8.103 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.615 -7.795 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.757 -8.062 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.352 -6.454 4.104 1.00 0.00 H new ATOM 914 N LEU A 62 -1.716 -6.135 7.651 1.00 0.00 N ATOM 915 CA LEU A 62 -2.510 -6.148 8.868 1.00 0.00 C ATOM 916 C LEU A 62 -3.660 -7.145 8.710 1.00 0.00 C ATOM 917 O LEU A 62 -4.344 -7.154 7.687 1.00 0.00 O ATOM 918 CB LEU A 62 -2.969 -4.732 9.224 1.00 0.00 C ATOM 919 CG LEU A 62 -1.977 -3.609 8.917 1.00 0.00 C ATOM 920 CD1 LEU A 62 -2.708 -2.312 8.565 1.00 0.00 C ATOM 921 CD2 LEU A 62 -0.992 -3.417 10.073 1.00 0.00 C ATOM 0 H LEU A 62 -2.254 -6.227 6.789 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.908 -6.485 9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.897 -4.527 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.202 -4.704 10.289 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.395 -3.897 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.979 -1.530 8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.334 -2.474 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.332 -2.007 9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.298 -2.613 9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.540 -3.161 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.436 -4.340 10.234 1.00 0.00 H new ATOM 933 N SER A 63 -3.838 -7.962 9.738 1.00 0.00 N ATOM 934 CA SER A 63 -4.893 -8.961 9.726 1.00 0.00 C ATOM 935 C SER A 63 -5.034 -9.589 11.115 1.00 0.00 C ATOM 936 O SER A 63 -4.217 -9.338 11.999 1.00 0.00 O ATOM 937 CB SER A 63 -4.615 -10.043 8.681 1.00 0.00 C ATOM 938 OG SER A 63 -3.516 -10.872 9.049 1.00 0.00 O ATOM 0 H SER A 63 -3.269 -7.952 10.585 1.00 0.00 H new ATOM 0 HA SER A 63 -5.828 -8.468 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.505 -10.658 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.409 -9.573 7.719 1.00 0.00 H new ATOM 0 HG SER A 63 -3.372 -11.551 8.357 1.00 0.00 H new ATOM 944 N GLY A 64 -6.077 -10.393 11.262 1.00 0.00 N ATOM 945 CA GLY A 64 -6.336 -11.058 12.527 1.00 0.00 C ATOM 946 C GLY A 64 -5.969 -12.541 12.452 1.00 0.00 C ATOM 947 O GLY A 64 -5.665 -13.055 11.377 1.00 0.00 O ATOM 0 H GLY A 64 -6.752 -10.599 10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.762 -10.577 13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.389 -10.953 12.788 1.00 0.00 H new ATOM 951 N PRO A 65 -6.011 -13.205 13.639 1.00 0.00 N ATOM 952 CA PRO A 65 -5.686 -14.619 13.717 1.00 0.00 C ATOM 953 C PRO A 65 -6.825 -15.474 13.160 1.00 0.00 C ATOM 954 O PRO A 65 -7.997 -15.188 13.400 1.00 0.00 O ATOM 955 CB PRO A 65 -5.415 -14.878 15.190 1.00 0.00 C ATOM 956 CG PRO A 65 -6.046 -13.718 15.942 1.00 0.00 C ATOM 957 CD PRO A 65 -6.367 -12.628 14.932 1.00 0.00 C ATOM 0 HA PRO A 65 -4.819 -14.886 13.112 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.847 -15.828 15.505 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.344 -14.934 15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.952 -14.043 16.454 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.365 -13.342 16.706 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.421 -12.354 14.967 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.795 -11.722 15.132 1.00 0.00 H new ATOM 965 N SER A 66 -6.441 -16.508 12.425 1.00 0.00 N ATOM 966 CA SER A 66 -7.415 -17.408 11.831 1.00 0.00 C ATOM 967 C SER A 66 -7.906 -18.411 12.876 1.00 0.00 C ATOM 968 O SER A 66 -9.102 -18.488 13.155 1.00 0.00 O ATOM 969 CB SER A 66 -6.824 -18.142 10.627 1.00 0.00 C ATOM 970 OG SER A 66 -7.710 -19.137 10.121 1.00 0.00 O ATOM 0 H SER A 66 -5.468 -16.742 12.227 1.00 0.00 H new ATOM 0 HA SER A 66 -8.260 -16.815 11.481 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.598 -17.423 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.881 -18.608 10.913 1.00 0.00 H new ATOM 0 HG SER A 66 -7.297 -19.582 9.352 1.00 0.00 H new ATOM 976 N SER A 67 -6.958 -19.156 13.427 1.00 0.00 N ATOM 977 CA SER A 67 -7.279 -20.151 14.435 1.00 0.00 C ATOM 978 C SER A 67 -8.251 -21.184 13.860 1.00 0.00 C ATOM 979 O SER A 67 -9.456 -20.943 13.802 1.00 0.00 O ATOM 980 CB SER A 67 -7.876 -19.499 15.683 1.00 0.00 C ATOM 981 OG SER A 67 -6.914 -19.363 16.727 1.00 0.00 O ATOM 0 H SER A 67 -5.967 -19.090 13.194 1.00 0.00 H new ATOM 0 HA SER A 67 -6.356 -20.652 14.726 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.272 -18.517 15.425 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.715 -20.097 16.039 1.00 0.00 H new ATOM 0 HG SER A 67 -7.334 -18.941 17.506 1.00 0.00 H new ATOM 987 N GLY A 68 -7.691 -22.313 13.450 1.00 0.00 N ATOM 988 CA GLY A 68 -8.493 -23.383 12.882 1.00 0.00 C ATOM 989 C GLY A 68 -7.613 -24.398 12.149 1.00 0.00 C ATOM 990 O GLY A 68 -6.433 -24.144 11.911 1.00 0.00 O ATOM 0 H GLY A 68 -6.691 -22.510 13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.050 -23.884 13.674 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.226 -22.966 12.191 1.00 0.00 H new TER 994 GLY A 68