USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 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 180:sc= -0.144 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0986 K(o=-0.099,f=-0.92) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.0904 X(o=0.09,f=-0.13) USER MOD Single : A 22 MET CE :methyl -168:sc= 0 (180deg=-0.24) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.31) USER MOD Single : A 33 TYR OH : rot 15:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -25:sc= 0.649 USER MOD Single : A 40 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.22) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.139 USER MOD Single : A 60 SER OG : rot -57:sc= 0.00118 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.392 -2.340 3.441 1.00 0.00 N ATOM 2 CA GLY A 1 -20.032 -2.180 4.734 1.00 0.00 C ATOM 3 C GLY A 1 -21.242 -1.269 4.673 1.00 0.00 C ATOM 4 O GLY A 1 -22.239 -1.592 4.027 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.571 -2.971 3.536 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.069 -2.751 2.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.077 -1.412 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.335 -3.157 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.312 -1.775 5.445 1.00 0.00 H new ATOM 8 N SER A 2 -21.156 -0.127 5.349 1.00 0.00 N ATOM 9 CA SER A 2 -22.254 0.831 5.373 1.00 0.00 C ATOM 10 C SER A 2 -21.805 2.186 4.835 1.00 0.00 C ATOM 11 O SER A 2 -22.348 2.687 3.850 1.00 0.00 O ATOM 12 CB SER A 2 -22.791 0.988 6.797 1.00 0.00 C ATOM 13 OG SER A 2 -23.807 1.974 6.854 1.00 0.00 O ATOM 0 H SER A 2 -20.337 0.156 5.887 1.00 0.00 H new ATOM 0 HA SER A 2 -23.049 0.450 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.186 0.034 7.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.977 1.262 7.468 1.00 0.00 H new ATOM 0 HG SER A 2 -24.134 2.054 7.774 1.00 0.00 H new ATOM 19 N SER A 3 -20.809 2.775 5.489 1.00 0.00 N ATOM 20 CA SER A 3 -20.287 4.074 5.079 1.00 0.00 C ATOM 21 C SER A 3 -18.804 4.195 5.416 1.00 0.00 C ATOM 22 O SER A 3 -18.282 3.452 6.246 1.00 0.00 O ATOM 23 CB SER A 3 -21.070 5.198 5.760 1.00 0.00 C ATOM 24 OG SER A 3 -20.502 6.464 5.469 1.00 0.00 O ATOM 0 H SER A 3 -20.347 2.374 6.305 1.00 0.00 H new ATOM 0 HA SER A 3 -20.404 4.161 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.108 5.176 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.078 5.039 6.838 1.00 0.00 H new ATOM 0 HG SER A 3 -21.021 7.166 5.914 1.00 0.00 H new ATOM 30 N GLY A 4 -18.131 5.138 4.764 1.00 0.00 N ATOM 31 CA GLY A 4 -16.714 5.340 5.007 1.00 0.00 C ATOM 32 C GLY A 4 -16.400 6.749 5.468 1.00 0.00 C ATOM 33 O GLY A 4 -17.132 7.689 5.157 1.00 0.00 O ATOM 0 H GLY A 4 -18.541 5.765 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.373 4.630 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.158 5.127 4.094 1.00 0.00 H new ATOM 37 N SER A 5 -15.310 6.897 6.214 1.00 0.00 N ATOM 38 CA SER A 5 -14.904 8.201 6.725 1.00 0.00 C ATOM 39 C SER A 5 -13.784 8.792 5.874 1.00 0.00 C ATOM 40 O SER A 5 -12.730 8.179 5.702 1.00 0.00 O ATOM 41 CB SER A 5 -14.447 8.084 8.180 1.00 0.00 C ATOM 42 OG SER A 5 -13.825 9.279 8.618 1.00 0.00 O ATOM 0 H SER A 5 -14.692 6.130 6.478 1.00 0.00 H new ATOM 0 HA SER A 5 -15.765 8.867 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.304 7.862 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.751 7.251 8.280 1.00 0.00 H new ATOM 0 HG SER A 5 -13.544 9.178 9.551 1.00 0.00 H new ATOM 48 N SER A 6 -14.019 9.989 5.345 1.00 0.00 N ATOM 49 CA SER A 6 -13.032 10.662 4.509 1.00 0.00 C ATOM 50 C SER A 6 -13.128 12.176 4.668 1.00 0.00 C ATOM 51 O SER A 6 -14.123 12.697 5.171 1.00 0.00 O ATOM 52 CB SER A 6 -13.229 10.279 3.041 1.00 0.00 C ATOM 53 OG SER A 6 -14.462 10.773 2.546 1.00 0.00 O ATOM 0 H SER A 6 -14.884 10.512 5.481 1.00 0.00 H new ATOM 0 HA SER A 6 -12.041 10.342 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.408 10.678 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.201 9.194 2.938 1.00 0.00 H new ATOM 0 HG SER A 6 -14.563 10.516 1.606 1.00 0.00 H new ATOM 59 N GLY A 7 -12.085 12.878 4.235 1.00 0.00 N ATOM 60 CA GLY A 7 -12.071 14.326 4.338 1.00 0.00 C ATOM 61 C GLY A 7 -10.669 14.883 4.488 1.00 0.00 C ATOM 62 O GLY A 7 -10.318 15.878 3.854 1.00 0.00 O ATOM 0 H GLY A 7 -11.250 12.470 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.536 14.755 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.674 14.632 5.193 1.00 0.00 H new ATOM 66 N PHE A 8 -9.866 14.240 5.329 1.00 0.00 N ATOM 67 CA PHE A 8 -8.494 14.679 5.562 1.00 0.00 C ATOM 68 C PHE A 8 -7.878 15.240 4.284 1.00 0.00 C ATOM 69 O PHE A 8 -7.417 16.382 4.253 1.00 0.00 O ATOM 70 CB PHE A 8 -7.646 13.517 6.083 1.00 0.00 C ATOM 71 CG PHE A 8 -8.205 12.874 7.321 1.00 0.00 C ATOM 72 CD1 PHE A 8 -7.913 13.386 8.575 1.00 0.00 C ATOM 73 CD2 PHE A 8 -9.022 11.759 7.230 1.00 0.00 C ATOM 74 CE1 PHE A 8 -8.425 12.796 9.715 1.00 0.00 C ATOM 75 CE2 PHE A 8 -9.537 11.165 8.367 1.00 0.00 C ATOM 76 CZ PHE A 8 -9.239 11.685 9.611 1.00 0.00 C ATOM 0 H PHE A 8 -10.141 13.414 5.860 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.514 15.470 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.557 12.763 5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.639 13.878 6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.278 14.256 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.259 11.349 6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.189 13.203 10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.172 10.295 8.282 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.642 11.224 10.501 1.00 0.00 H new ATOM 86 N LYS A 9 -7.873 14.430 3.232 1.00 0.00 N ATOM 87 CA LYS A 9 -7.315 14.843 1.950 1.00 0.00 C ATOM 88 C LYS A 9 -7.697 16.285 1.630 1.00 0.00 C ATOM 89 O LYS A 9 -8.858 16.672 1.757 1.00 0.00 O ATOM 90 CB LYS A 9 -7.803 13.916 0.835 1.00 0.00 C ATOM 91 CG LYS A 9 -9.312 13.915 0.661 1.00 0.00 C ATOM 92 CD LYS A 9 -9.766 12.804 -0.271 1.00 0.00 C ATOM 93 CE LYS A 9 -11.070 13.158 -0.968 1.00 0.00 C ATOM 94 NZ LYS A 9 -12.217 13.186 -0.018 1.00 0.00 N ATOM 0 H LYS A 9 -8.250 13.482 3.242 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.229 14.779 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.338 14.215 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.469 12.900 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.791 13.794 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.634 14.878 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.994 12.615 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.894 11.882 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.972 14.132 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.269 12.432 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.087 13.431 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.326 12.250 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.039 13.897 0.720 1.00 0.00 H new ATOM 108 N ARG A 10 -6.712 17.074 1.213 1.00 0.00 N ATOM 109 CA ARG A 10 -6.945 18.473 0.875 1.00 0.00 C ATOM 110 C ARG A 10 -6.572 18.750 -0.579 1.00 0.00 C ATOM 111 O ARG A 10 -5.501 19.286 -0.865 1.00 0.00 O ATOM 112 CB ARG A 10 -6.141 19.385 1.802 1.00 0.00 C ATOM 113 CG ARG A 10 -6.769 19.567 3.174 1.00 0.00 C ATOM 114 CD ARG A 10 -6.409 20.915 3.778 1.00 0.00 C ATOM 115 NE ARG A 10 -5.018 20.964 4.219 1.00 0.00 N ATOM 116 CZ ARG A 10 -4.400 22.083 4.581 1.00 0.00 C ATOM 117 NH1 ARG A 10 -5.048 23.239 4.555 1.00 0.00 N ATOM 118 NH2 ARG A 10 -3.132 22.046 4.970 1.00 0.00 N ATOM 0 H ARG A 10 -5.745 16.768 1.101 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.007 18.680 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.139 18.974 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.030 20.361 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.853 19.481 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.434 18.769 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.584 21.700 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.065 21.120 4.624 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.492 20.091 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.023 23.271 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.572 24.097 4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.631 21.158 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.658 22.906 5.248 1.00 0.00 H new ATOM 132 N LYS A 11 -7.463 18.382 -1.493 1.00 0.00 N ATOM 133 CA LYS A 11 -7.229 18.591 -2.917 1.00 0.00 C ATOM 134 C LYS A 11 -5.750 18.432 -3.255 1.00 0.00 C ATOM 135 O LYS A 11 -5.196 19.204 -4.036 1.00 0.00 O ATOM 136 CB LYS A 11 -7.712 19.981 -3.336 1.00 0.00 C ATOM 137 CG LYS A 11 -7.020 21.114 -2.596 1.00 0.00 C ATOM 138 CD LYS A 11 -7.736 21.452 -1.299 1.00 0.00 C ATOM 139 CE LYS A 11 -8.925 22.369 -1.542 1.00 0.00 C ATOM 140 NZ LYS A 11 -8.540 23.806 -1.471 1.00 0.00 N ATOM 0 H LYS A 11 -8.354 17.937 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.792 17.837 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.550 20.105 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.786 20.050 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.989 20.833 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.983 21.997 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.075 20.534 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.039 21.932 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.354 22.156 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.699 22.163 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.377 24.399 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.154 24.016 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.819 24.008 -2.193 1.00 0.00 H new ATOM 154 N ALA A 12 -5.117 17.425 -2.661 1.00 0.00 N ATOM 155 CA ALA A 12 -3.704 17.163 -2.902 1.00 0.00 C ATOM 156 C ALA A 12 -3.348 15.719 -2.567 1.00 0.00 C ATOM 157 O ALA A 12 -3.830 15.164 -1.580 1.00 0.00 O ATOM 158 CB ALA A 12 -2.844 18.122 -2.093 1.00 0.00 C ATOM 0 H ALA A 12 -5.561 16.778 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.507 17.321 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.791 17.915 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.070 19.148 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.054 17.992 -1.031 1.00 0.00 H new ATOM 164 N ASN A 13 -2.502 15.115 -3.395 1.00 0.00 N ATOM 165 CA ASN A 13 -2.083 13.734 -3.187 1.00 0.00 C ATOM 166 C ASN A 13 -0.775 13.675 -2.405 1.00 0.00 C ATOM 167 O ASN A 13 0.131 12.913 -2.744 1.00 0.00 O ATOM 168 CB ASN A 13 -1.920 13.020 -4.530 1.00 0.00 C ATOM 169 CG ASN A 13 -1.115 13.835 -5.524 1.00 0.00 C ATOM 170 OD1 ASN A 13 -1.645 14.731 -6.182 1.00 0.00 O ATOM 171 ND2 ASN A 13 0.171 13.528 -5.637 1.00 0.00 N ATOM 0 H ASN A 13 -2.093 15.560 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.856 13.230 -2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.430 12.059 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.904 12.810 -4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.763 14.042 -6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.568 12.778 -5.071 1.00 0.00 H new ATOM 178 N LYS A 14 -0.682 14.484 -1.355 1.00 0.00 N ATOM 179 CA LYS A 14 0.514 14.523 -0.521 1.00 0.00 C ATOM 180 C LYS A 14 0.797 13.155 0.089 1.00 0.00 C ATOM 181 O LYS A 14 1.808 12.525 -0.220 1.00 0.00 O ATOM 182 CB LYS A 14 0.353 15.565 0.588 1.00 0.00 C ATOM 183 CG LYS A 14 0.316 16.996 0.078 1.00 0.00 C ATOM 184 CD LYS A 14 1.715 17.549 -0.132 1.00 0.00 C ATOM 185 CE LYS A 14 1.737 19.066 -0.021 1.00 0.00 C ATOM 186 NZ LYS A 14 3.071 19.628 -0.370 1.00 0.00 N ATOM 0 H LYS A 14 -1.421 15.122 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 14 1.358 14.801 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.566 15.360 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.176 15.461 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.236 17.034 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.221 17.623 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.392 17.119 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.082 17.250 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.980 19.490 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.474 19.360 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.045 20.664 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.790 19.244 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.311 19.369 -1.348 1.00 0.00 H new ATOM 200 N GLU A 15 -0.103 12.700 0.956 1.00 0.00 N ATOM 201 CA GLU A 15 0.052 11.406 1.608 1.00 0.00 C ATOM 202 C GLU A 15 0.491 10.341 0.607 1.00 0.00 C ATOM 203 O GLU A 15 1.409 9.563 0.873 1.00 0.00 O ATOM 204 CB GLU A 15 -1.260 10.985 2.275 1.00 0.00 C ATOM 205 CG GLU A 15 -2.380 10.703 1.288 1.00 0.00 C ATOM 206 CD GLU A 15 -3.716 10.478 1.970 1.00 0.00 C ATOM 207 OE1 GLU A 15 -3.821 10.767 3.180 1.00 0.00 O ATOM 208 OE2 GLU A 15 -4.656 10.011 1.293 1.00 0.00 O ATOM 0 H GLU A 15 -0.946 13.209 1.222 1.00 0.00 H new ATOM 0 HA GLU A 15 0.824 11.503 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.083 10.093 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.579 11.771 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.467 11.539 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.125 9.823 0.697 1.00 0.00 H new ATOM 215 N LEU A 16 -0.172 10.311 -0.544 1.00 0.00 N ATOM 216 CA LEU A 16 0.149 9.341 -1.586 1.00 0.00 C ATOM 217 C LEU A 16 1.656 9.248 -1.798 1.00 0.00 C ATOM 218 O LEU A 16 2.225 8.157 -1.805 1.00 0.00 O ATOM 219 CB LEU A 16 -0.540 9.726 -2.896 1.00 0.00 C ATOM 220 CG LEU A 16 -1.960 9.194 -3.090 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.941 7.692 -3.327 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.826 9.534 -1.885 1.00 0.00 C ATOM 0 H LEU A 16 -0.934 10.946 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.214 8.365 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.569 10.814 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.075 9.373 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.390 9.674 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.961 7.332 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.357 7.472 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.492 7.194 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.833 9.148 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.398 9.082 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.868 10.616 -1.760 1.00 0.00 H new ATOM 234 N GLU A 17 2.297 10.400 -1.969 1.00 0.00 N ATOM 235 CA GLU A 17 3.739 10.448 -2.180 1.00 0.00 C ATOM 236 C GLU A 17 4.484 9.883 -0.974 1.00 0.00 C ATOM 237 O GLU A 17 5.619 9.423 -1.093 1.00 0.00 O ATOM 238 CB GLU A 17 4.191 11.886 -2.445 1.00 0.00 C ATOM 239 CG GLU A 17 5.700 12.060 -2.437 1.00 0.00 C ATOM 240 CD GLU A 17 6.125 13.480 -2.761 1.00 0.00 C ATOM 241 OE1 GLU A 17 5.560 14.065 -3.708 1.00 0.00 O ATOM 242 OE2 GLU A 17 7.021 14.004 -2.068 1.00 0.00 O ATOM 0 H GLU A 17 1.841 11.312 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 17 3.974 9.835 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.802 12.208 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.754 12.540 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.089 11.783 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.145 11.377 -3.161 1.00 0.00 H new ATOM 249 N GLU A 18 3.836 9.923 0.186 1.00 0.00 N ATOM 250 CA GLU A 18 4.438 9.416 1.414 1.00 0.00 C ATOM 251 C GLU A 18 4.278 7.902 1.514 1.00 0.00 C ATOM 252 O GLU A 18 5.261 7.162 1.534 1.00 0.00 O ATOM 253 CB GLU A 18 3.806 10.089 2.634 1.00 0.00 C ATOM 254 CG GLU A 18 3.542 11.573 2.442 1.00 0.00 C ATOM 255 CD GLU A 18 4.774 12.421 2.689 1.00 0.00 C ATOM 256 OE1 GLU A 18 5.696 12.389 1.848 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.816 13.119 3.724 1.00 0.00 O ATOM 0 H GLU A 18 2.896 10.301 0.301 1.00 0.00 H new ATOM 0 HA GLU A 18 5.502 9.650 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.866 9.589 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.462 9.954 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.184 11.746 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.747 11.887 3.119 1.00 0.00 H new ATOM 264 N LYS A 19 3.031 7.448 1.578 1.00 0.00 N ATOM 265 CA LYS A 19 2.739 6.023 1.676 1.00 0.00 C ATOM 266 C LYS A 19 3.606 5.222 0.709 1.00 0.00 C ATOM 267 O LYS A 19 3.970 4.081 0.987 1.00 0.00 O ATOM 268 CB LYS A 19 1.259 5.764 1.385 1.00 0.00 C ATOM 269 CG LYS A 19 0.320 6.385 2.405 1.00 0.00 C ATOM 270 CD LYS A 19 -1.044 6.677 1.802 1.00 0.00 C ATOM 271 CE LYS A 19 -2.097 6.881 2.881 1.00 0.00 C ATOM 272 NZ LYS A 19 -3.476 6.868 2.319 1.00 0.00 N ATOM 0 H LYS A 19 2.206 8.047 1.564 1.00 0.00 H new ATOM 0 HA LYS A 19 2.965 5.700 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.018 6.155 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.087 4.688 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.207 5.711 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.755 7.308 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.984 7.568 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.341 5.853 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.004 6.097 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.920 7.830 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.165 7.010 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.573 7.632 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.655 5.953 1.858 1.00 0.00 H new ATOM 286 N ASN A 20 3.933 5.830 -0.427 1.00 0.00 N ATOM 287 CA ASN A 20 4.758 5.173 -1.434 1.00 0.00 C ATOM 288 C ASN A 20 6.206 5.063 -0.965 1.00 0.00 C ATOM 289 O ASN A 20 6.738 3.964 -0.814 1.00 0.00 O ATOM 290 CB ASN A 20 4.696 5.943 -2.755 1.00 0.00 C ATOM 291 CG ASN A 20 3.573 5.461 -3.653 1.00 0.00 C ATOM 292 OD1 ASN A 20 3.476 4.273 -3.962 1.00 0.00 O ATOM 293 ND2 ASN A 20 2.717 6.384 -4.076 1.00 0.00 N ATOM 0 H ASN A 20 3.640 6.775 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 20 4.367 4.167 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.561 7.005 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.646 5.838 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.940 6.120 -4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.836 7.357 -3.795 1.00 0.00 H new ATOM 300 N ARG A 21 6.836 6.210 -0.734 1.00 0.00 N ATOM 301 CA ARG A 21 8.221 6.243 -0.281 1.00 0.00 C ATOM 302 C ARG A 21 8.497 5.116 0.709 1.00 0.00 C ATOM 303 O ARG A 21 9.578 4.528 0.710 1.00 0.00 O ATOM 304 CB ARG A 21 8.537 7.593 0.365 1.00 0.00 C ATOM 305 CG ARG A 21 9.895 7.640 1.046 1.00 0.00 C ATOM 306 CD ARG A 21 9.802 7.217 2.504 1.00 0.00 C ATOM 307 NE ARG A 21 9.422 8.327 3.373 1.00 0.00 N ATOM 308 CZ ARG A 21 9.579 8.315 4.692 1.00 0.00 C ATOM 309 NH1 ARG A 21 10.105 7.256 5.290 1.00 0.00 N ATOM 310 NH2 ARG A 21 9.208 9.364 5.415 1.00 0.00 N ATOM 0 H ARG A 21 6.409 7.129 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 21 8.864 6.105 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.496 8.370 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.764 7.825 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.590 6.986 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.300 8.650 0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.072 6.413 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.763 6.816 2.827 1.00 0.00 H new ATOM 0 HE ARG A 21 9.014 9.157 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.390 6.448 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.225 7.249 6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.802 10.180 4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.329 9.354 6.428 1.00 0.00 H new ATOM 324 N MET A 22 7.512 4.821 1.551 1.00 0.00 N ATOM 325 CA MET A 22 7.648 3.764 2.547 1.00 0.00 C ATOM 326 C MET A 22 7.735 2.396 1.878 1.00 0.00 C ATOM 327 O MET A 22 8.721 1.676 2.039 1.00 0.00 O ATOM 328 CB MET A 22 6.469 3.795 3.520 1.00 0.00 C ATOM 329 CG MET A 22 6.689 4.712 4.713 1.00 0.00 C ATOM 330 SD MET A 22 5.785 4.176 6.177 1.00 0.00 S ATOM 331 CE MET A 22 4.123 4.046 5.521 1.00 0.00 C ATOM 0 H MET A 22 6.611 5.299 1.564 1.00 0.00 H new ATOM 0 HA MET A 22 8.570 3.938 3.101 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.575 4.117 2.985 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.279 2.784 3.880 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.754 4.753 4.943 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.380 5.724 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.415 3.933 6.342 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.883 4.947 4.956 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.058 3.178 4.864 1.00 0.00 H new ATOM 341 N LEU A 23 6.697 2.043 1.127 1.00 0.00 N ATOM 342 CA LEU A 23 6.656 0.760 0.434 1.00 0.00 C ATOM 343 C LEU A 23 8.043 0.362 -0.058 1.00 0.00 C ATOM 344 O LEU A 23 8.407 -0.813 -0.032 1.00 0.00 O ATOM 345 CB LEU A 23 5.683 0.827 -0.746 1.00 0.00 C ATOM 346 CG LEU A 23 4.200 0.686 -0.401 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.340 0.959 -1.626 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.912 -0.700 0.157 1.00 0.00 C ATOM 0 H LEU A 23 5.873 2.627 0.983 1.00 0.00 H new ATOM 0 HA LEU A 23 6.311 0.004 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.828 1.779 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.947 0.042 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 23 3.952 1.422 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.288 0.854 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.526 1.972 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.590 0.246 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.852 -0.783 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.176 -1.453 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.502 -0.859 1.060 1.00 0.00 H new ATOM 360 N GLN A 24 8.813 1.349 -0.504 1.00 0.00 N ATOM 361 CA GLN A 24 10.162 1.101 -1.000 1.00 0.00 C ATOM 362 C GLN A 24 11.055 0.546 0.105 1.00 0.00 C ATOM 363 O GLN A 24 11.559 -0.572 0.005 1.00 0.00 O ATOM 364 CB GLN A 24 10.766 2.389 -1.562 1.00 0.00 C ATOM 365 CG GLN A 24 10.025 2.930 -2.774 1.00 0.00 C ATOM 366 CD GLN A 24 10.498 2.308 -4.073 1.00 0.00 C ATOM 367 OE1 GLN A 24 11.370 2.850 -4.753 1.00 0.00 O ATOM 368 NE2 GLN A 24 9.925 1.163 -4.425 1.00 0.00 N ATOM 0 H GLN A 24 8.526 2.327 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 24 10.099 0.360 -1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.771 3.149 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.805 2.205 -1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.957 2.745 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.158 4.011 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.206 0.749 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.204 0.698 -5.289 1.00 0.00 H new ATOM 377 N GLU A 25 11.247 1.336 1.156 1.00 0.00 N ATOM 378 CA GLU A 25 12.081 0.923 2.279 1.00 0.00 C ATOM 379 C GLU A 25 11.544 -0.356 2.914 1.00 0.00 C ATOM 380 O GLU A 25 12.310 -1.231 3.316 1.00 0.00 O ATOM 381 CB GLU A 25 12.150 2.035 3.328 1.00 0.00 C ATOM 382 CG GLU A 25 13.183 3.104 3.013 1.00 0.00 C ATOM 383 CD GLU A 25 13.387 4.074 4.161 1.00 0.00 C ATOM 384 OE1 GLU A 25 13.158 3.675 5.322 1.00 0.00 O ATOM 385 OE2 GLU A 25 13.775 5.232 3.899 1.00 0.00 O ATOM 0 H GLU A 25 10.837 2.265 1.254 1.00 0.00 H new ATOM 0 HA GLU A 25 13.084 0.727 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.169 2.503 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.379 1.594 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.133 2.627 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.870 3.656 2.127 1.00 0.00 H new ATOM 392 N ASP A 26 10.222 -0.457 3.000 1.00 0.00 N ATOM 393 CA ASP A 26 9.581 -1.629 3.585 1.00 0.00 C ATOM 394 C ASP A 26 8.923 -2.484 2.507 1.00 0.00 C ATOM 395 O ASP A 26 7.716 -2.417 2.277 1.00 0.00 O ATOM 396 CB ASP A 26 8.540 -1.203 4.621 1.00 0.00 C ATOM 397 CG ASP A 26 9.161 -0.869 5.963 1.00 0.00 C ATOM 398 OD1 ASP A 26 10.294 -0.345 5.978 1.00 0.00 O ATOM 399 OD2 ASP A 26 8.515 -1.134 6.999 1.00 0.00 O ATOM 0 H ASP A 26 9.573 0.259 2.672 1.00 0.00 H new ATOM 0 HA ASP A 26 10.350 -2.225 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.996 -0.334 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.812 -2.004 4.750 1.00 0.00 H new ATOM 404 N PRO A 27 9.735 -3.308 1.828 1.00 0.00 N ATOM 405 CA PRO A 27 9.255 -4.192 0.761 1.00 0.00 C ATOM 406 C PRO A 27 8.389 -5.327 1.296 1.00 0.00 C ATOM 407 O PRO A 27 7.499 -5.822 0.604 1.00 0.00 O ATOM 408 CB PRO A 27 10.545 -4.745 0.151 1.00 0.00 C ATOM 409 CG PRO A 27 11.550 -4.659 1.247 1.00 0.00 C ATOM 410 CD PRO A 27 11.185 -3.440 2.049 1.00 0.00 C ATOM 0 HA PRO A 27 8.623 -3.664 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.414 -5.773 -0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.854 -4.162 -0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.529 -5.555 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.560 -4.574 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.420 -3.569 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.726 -2.557 1.707 1.00 0.00 H new ATOM 418 N VAL A 28 8.654 -5.736 2.533 1.00 0.00 N ATOM 419 CA VAL A 28 7.898 -6.813 3.161 1.00 0.00 C ATOM 420 C VAL A 28 6.445 -6.407 3.382 1.00 0.00 C ATOM 421 O VAL A 28 5.529 -7.207 3.185 1.00 0.00 O ATOM 422 CB VAL A 28 8.517 -7.220 4.512 1.00 0.00 C ATOM 423 CG1 VAL A 28 7.668 -8.285 5.189 1.00 0.00 C ATOM 424 CG2 VAL A 28 9.945 -7.708 4.317 1.00 0.00 C ATOM 0 H VAL A 28 9.387 -5.337 3.120 1.00 0.00 H new ATOM 0 HA VAL A 28 7.936 -7.665 2.482 1.00 0.00 H new ATOM 0 HB VAL A 28 8.542 -6.344 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.121 -8.560 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.665 -7.895 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.609 -9.165 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.367 -7.991 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.947 -8.572 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.545 -6.911 3.878 1.00 0.00 H new ATOM 434 N LEU A 29 6.240 -5.160 3.792 1.00 0.00 N ATOM 435 CA LEU A 29 4.898 -4.647 4.039 1.00 0.00 C ATOM 436 C LEU A 29 4.074 -4.634 2.755 1.00 0.00 C ATOM 437 O LEU A 29 2.876 -4.915 2.771 1.00 0.00 O ATOM 438 CB LEU A 29 4.970 -3.236 4.626 1.00 0.00 C ATOM 439 CG LEU A 29 3.673 -2.426 4.589 1.00 0.00 C ATOM 440 CD1 LEU A 29 2.863 -2.657 5.855 1.00 0.00 C ATOM 441 CD2 LEU A 29 3.974 -0.946 4.409 1.00 0.00 C ATOM 0 H LEU A 29 6.987 -4.486 3.960 1.00 0.00 H new ATOM 0 HA LEU A 29 4.410 -5.308 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.298 -3.312 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.738 -2.679 4.089 1.00 0.00 H new ATOM 0 HG LEU A 29 3.081 -2.762 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.944 -2.073 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.616 -3.715 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.447 -2.349 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.040 -0.385 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.586 -0.596 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.512 -0.795 3.473 1.00 0.00 H new ATOM 453 N PHE A 30 4.726 -4.308 1.644 1.00 0.00 N ATOM 454 CA PHE A 30 4.055 -4.260 0.350 1.00 0.00 C ATOM 455 C PHE A 30 3.227 -5.521 0.120 1.00 0.00 C ATOM 456 O PHE A 30 2.054 -5.447 -0.244 1.00 0.00 O ATOM 457 CB PHE A 30 5.080 -4.097 -0.774 1.00 0.00 C ATOM 458 CG PHE A 30 4.541 -3.375 -1.976 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.348 -3.769 -2.560 1.00 0.00 C ATOM 460 CD2 PHE A 30 5.228 -2.302 -2.522 1.00 0.00 C ATOM 461 CE1 PHE A 30 2.851 -3.107 -3.667 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.735 -1.636 -3.628 1.00 0.00 C ATOM 463 CZ PHE A 30 3.544 -2.038 -4.201 1.00 0.00 C ATOM 0 H PHE A 30 5.718 -4.073 1.614 1.00 0.00 H new ATOM 0 HA PHE A 30 3.384 -3.401 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.944 -3.554 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.432 -5.082 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.800 -4.603 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.159 -1.983 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.921 -3.425 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.280 -0.802 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.156 -1.518 -5.064 1.00 0.00 H new ATOM 473 N GLN A 31 3.848 -6.676 0.333 1.00 0.00 N ATOM 474 CA GLN A 31 3.169 -7.953 0.148 1.00 0.00 C ATOM 475 C GLN A 31 1.750 -7.902 0.706 1.00 0.00 C ATOM 476 O GLN A 31 0.777 -8.084 -0.026 1.00 0.00 O ATOM 477 CB GLN A 31 3.956 -9.077 0.825 1.00 0.00 C ATOM 478 CG GLN A 31 3.424 -10.466 0.513 1.00 0.00 C ATOM 479 CD GLN A 31 3.133 -10.662 -0.962 1.00 0.00 C ATOM 480 OE1 GLN A 31 4.024 -10.541 -1.804 1.00 0.00 O ATOM 481 NE2 GLN A 31 1.881 -10.966 -1.284 1.00 0.00 N ATOM 0 H GLN A 31 4.820 -6.754 0.634 1.00 0.00 H new ATOM 0 HA GLN A 31 3.112 -8.153 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.999 -9.018 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.937 -8.924 1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.151 -11.211 0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.513 -10.639 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.174 -11.056 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.626 -11.109 -2.261 1.00 0.00 H new ATOM 490 N LEU A 32 1.640 -7.654 2.006 1.00 0.00 N ATOM 491 CA LEU A 32 0.340 -7.579 2.664 1.00 0.00 C ATOM 492 C LEU A 32 -0.645 -6.766 1.830 1.00 0.00 C ATOM 493 O LEU A 32 -1.762 -7.209 1.563 1.00 0.00 O ATOM 494 CB LEU A 32 0.485 -6.957 4.054 1.00 0.00 C ATOM 495 CG LEU A 32 1.206 -7.810 5.099 1.00 0.00 C ATOM 496 CD1 LEU A 32 1.584 -6.967 6.306 1.00 0.00 C ATOM 497 CD2 LEU A 32 0.337 -8.986 5.519 1.00 0.00 C ATOM 0 H LEU A 32 2.435 -7.501 2.626 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.048 -8.592 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.020 -6.012 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.510 -6.721 4.430 1.00 0.00 H new ATOM 0 HG LEU A 32 2.121 -8.201 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.096 -7.590 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.244 -6.158 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.683 -6.547 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.866 -9.582 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.595 -8.616 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.116 -9.604 4.649 1.00 0.00 H new ATOM 509 N TYR A 33 -0.223 -5.574 1.421 1.00 0.00 N ATOM 510 CA TYR A 33 -1.068 -4.699 0.618 1.00 0.00 C ATOM 511 C TYR A 33 -1.580 -5.424 -0.624 1.00 0.00 C ATOM 512 O TYR A 33 -2.703 -5.195 -1.073 1.00 0.00 O ATOM 513 CB TYR A 33 -0.295 -3.445 0.207 1.00 0.00 C ATOM 514 CG TYR A 33 -1.024 -2.588 -0.803 1.00 0.00 C ATOM 515 CD1 TYR A 33 -1.187 -3.013 -2.115 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.550 -1.352 -0.445 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.851 -2.233 -3.042 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.217 -0.566 -1.364 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.364 -1.010 -2.661 1.00 0.00 C ATOM 520 OH TYR A 33 -3.028 -0.231 -3.581 1.00 0.00 O ATOM 0 H TYR A 33 0.699 -5.192 1.633 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.925 -4.407 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.088 -2.848 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.668 -3.742 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.788 -3.970 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.435 -1.000 0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.968 -2.578 -4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.621 0.391 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.255 -0.773 -4.365 1.00 0.00 H new ATOM 530 N LYS A 34 -0.746 -6.300 -1.174 1.00 0.00 N ATOM 531 CA LYS A 34 -1.112 -7.062 -2.362 1.00 0.00 C ATOM 532 C LYS A 34 -2.039 -8.219 -2.003 1.00 0.00 C ATOM 533 O LYS A 34 -3.147 -8.324 -2.529 1.00 0.00 O ATOM 534 CB LYS A 34 0.143 -7.596 -3.056 1.00 0.00 C ATOM 535 CG LYS A 34 1.063 -6.505 -3.576 1.00 0.00 C ATOM 536 CD LYS A 34 2.491 -7.003 -3.725 1.00 0.00 C ATOM 537 CE LYS A 34 2.627 -7.960 -4.899 1.00 0.00 C ATOM 538 NZ LYS A 34 4.051 -8.298 -5.177 1.00 0.00 N ATOM 0 H LYS A 34 0.188 -6.500 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.641 -6.395 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.696 -8.223 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.156 -8.234 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.698 -6.149 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.043 -5.655 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.161 -6.155 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.800 -7.504 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.071 -8.874 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.180 -7.512 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.101 -8.952 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.576 -7.429 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.471 -8.749 -4.339 1.00 0.00 H new ATOM 552 N ASP A 35 -1.579 -9.083 -1.105 1.00 0.00 N ATOM 553 CA ASP A 35 -2.368 -10.231 -0.674 1.00 0.00 C ATOM 554 C ASP A 35 -3.786 -9.807 -0.305 1.00 0.00 C ATOM 555 O ASP A 35 -4.701 -10.631 -0.265 1.00 0.00 O ATOM 556 CB ASP A 35 -1.700 -10.917 0.519 1.00 0.00 C ATOM 557 CG ASP A 35 -2.085 -12.379 0.635 1.00 0.00 C ATOM 558 OD1 ASP A 35 -1.429 -13.218 -0.017 1.00 0.00 O ATOM 559 OD2 ASP A 35 -3.040 -12.683 1.380 1.00 0.00 O ATOM 0 H ASP A 35 -0.663 -9.010 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.423 -10.936 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.617 -10.836 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.978 -10.397 1.436 1.00 0.00 H new ATOM 564 N LEU A 36 -3.961 -8.518 -0.033 1.00 0.00 N ATOM 565 CA LEU A 36 -5.268 -7.985 0.334 1.00 0.00 C ATOM 566 C LEU A 36 -5.878 -7.195 -0.820 1.00 0.00 C ATOM 567 O LEU A 36 -6.951 -7.535 -1.320 1.00 0.00 O ATOM 568 CB LEU A 36 -5.147 -7.092 1.570 1.00 0.00 C ATOM 569 CG LEU A 36 -4.424 -7.702 2.771 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.937 -6.612 3.712 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.335 -8.675 3.505 1.00 0.00 C ATOM 0 H LEU A 36 -3.215 -7.823 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.924 -8.825 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.626 -6.178 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.150 -6.802 1.884 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.557 -8.252 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.425 -7.066 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.248 -5.955 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.788 -6.033 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.803 -9.099 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.222 -8.148 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.633 -9.476 2.828 1.00 0.00 H new ATOM 583 N VAL A 37 -5.187 -6.140 -1.239 1.00 0.00 N ATOM 584 CA VAL A 37 -5.658 -5.304 -2.336 1.00 0.00 C ATOM 585 C VAL A 37 -5.673 -6.078 -3.650 1.00 0.00 C ATOM 586 O VAL A 37 -6.721 -6.241 -4.275 1.00 0.00 O ATOM 587 CB VAL A 37 -4.781 -4.049 -2.503 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.339 -3.148 -3.593 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.670 -3.298 -1.184 1.00 0.00 C ATOM 0 H VAL A 37 -4.298 -5.844 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.674 -4.998 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.781 -4.363 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.706 -2.267 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.362 -3.691 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.350 -2.839 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.047 -2.414 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.663 -2.994 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.220 -3.947 -0.433 1.00 0.00 H new ATOM 599 N VAL A 38 -4.503 -6.554 -4.063 1.00 0.00 N ATOM 600 CA VAL A 38 -4.381 -7.312 -5.302 1.00 0.00 C ATOM 601 C VAL A 38 -5.287 -8.538 -5.287 1.00 0.00 C ATOM 602 O VAL A 38 -5.732 -9.007 -6.335 1.00 0.00 O ATOM 603 CB VAL A 38 -2.929 -7.764 -5.543 1.00 0.00 C ATOM 604 CG1 VAL A 38 -2.832 -8.599 -6.811 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.002 -6.560 -5.616 1.00 0.00 C ATOM 0 H VAL A 38 -3.626 -6.428 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.686 -6.648 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.616 -8.385 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.798 -8.909 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.465 -9.481 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.163 -8.006 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.980 -6.898 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.312 -5.912 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.049 -6.007 -4.678 1.00 0.00 H new ATOM 615 N SER A 39 -5.558 -9.053 -4.092 1.00 0.00 N ATOM 616 CA SER A 39 -6.409 -10.227 -3.940 1.00 0.00 C ATOM 617 C SER A 39 -7.882 -9.852 -4.075 1.00 0.00 C ATOM 618 O SER A 39 -8.759 -10.713 -4.021 1.00 0.00 O ATOM 619 CB SER A 39 -6.162 -10.890 -2.583 1.00 0.00 C ATOM 620 OG SER A 39 -6.939 -12.066 -2.442 1.00 0.00 O ATOM 0 H SER A 39 -5.200 -8.675 -3.215 1.00 0.00 H new ATOM 0 HA SER A 39 -6.158 -10.932 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.105 -11.134 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.406 -10.191 -1.783 1.00 0.00 H new ATOM 0 HG SER A 39 -7.730 -12.007 -3.018 1.00 0.00 H new ATOM 626 N GLN A 40 -8.143 -8.561 -4.250 1.00 0.00 N ATOM 627 CA GLN A 40 -9.509 -8.071 -4.392 1.00 0.00 C ATOM 628 C GLN A 40 -10.303 -8.294 -3.109 1.00 0.00 C ATOM 629 O GLN A 40 -11.466 -8.696 -3.149 1.00 0.00 O ATOM 630 CB GLN A 40 -10.204 -8.766 -5.564 1.00 0.00 C ATOM 631 CG GLN A 40 -9.461 -8.624 -6.883 1.00 0.00 C ATOM 632 CD GLN A 40 -10.389 -8.654 -8.081 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.367 -7.908 -8.142 1.00 0.00 O ATOM 634 NE2 GLN A 40 -10.087 -9.518 -9.043 1.00 0.00 N ATOM 0 H GLN A 40 -7.427 -7.836 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.465 -7.000 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.317 -9.825 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.208 -8.355 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.904 -7.687 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.731 -9.429 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.267 -10.117 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.675 -9.582 -9.874 1.00 0.00 H new ATOM 643 N VAL A 41 -9.667 -8.032 -1.972 1.00 0.00 N ATOM 644 CA VAL A 41 -10.315 -8.204 -0.677 1.00 0.00 C ATOM 645 C VAL A 41 -10.734 -6.861 -0.089 1.00 0.00 C ATOM 646 O VAL A 41 -11.824 -6.728 0.466 1.00 0.00 O ATOM 647 CB VAL A 41 -9.389 -8.923 0.322 1.00 0.00 C ATOM 648 CG1 VAL A 41 -9.945 -8.821 1.734 1.00 0.00 C ATOM 649 CG2 VAL A 41 -9.198 -10.377 -0.080 1.00 0.00 C ATOM 0 H VAL A 41 -8.704 -7.700 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.201 -8.816 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.415 -8.434 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.278 -9.335 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.025 -7.772 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.931 -9.283 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.541 -10.869 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.164 -10.881 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.751 -10.424 -1.073 1.00 0.00 H new ATOM 659 N ILE A 42 -9.860 -5.868 -0.217 1.00 0.00 N ATOM 660 CA ILE A 42 -10.140 -4.534 0.301 1.00 0.00 C ATOM 661 C ILE A 42 -9.648 -3.457 -0.660 1.00 0.00 C ATOM 662 O ILE A 42 -9.132 -3.760 -1.736 1.00 0.00 O ATOM 663 CB ILE A 42 -9.487 -4.315 1.678 1.00 0.00 C ATOM 664 CG1 ILE A 42 -8.005 -4.693 1.629 1.00 0.00 C ATOM 665 CG2 ILE A 42 -10.211 -5.126 2.743 1.00 0.00 C ATOM 666 CD1 ILE A 42 -7.200 -4.133 2.780 1.00 0.00 C ATOM 0 H ILE A 42 -8.953 -5.962 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.222 -4.458 0.406 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.566 -3.259 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.915 -5.779 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.579 -4.337 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.738 -4.961 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.254 -4.814 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.160 -6.185 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.159 -4.441 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.259 -3.045 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.601 -4.509 3.721 1.00 0.00 H new ATOM 678 N SER A 43 -9.809 -2.199 -0.264 1.00 0.00 N ATOM 679 CA SER A 43 -9.383 -1.076 -1.090 1.00 0.00 C ATOM 680 C SER A 43 -8.112 -0.442 -0.532 1.00 0.00 C ATOM 681 O SER A 43 -7.906 -0.403 0.680 1.00 0.00 O ATOM 682 CB SER A 43 -10.494 -0.028 -1.176 1.00 0.00 C ATOM 683 OG SER A 43 -10.175 0.977 -2.123 1.00 0.00 O ATOM 0 H SER A 43 -10.232 -1.932 0.625 1.00 0.00 H new ATOM 0 HA SER A 43 -9.171 -1.453 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.432 -0.509 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.647 0.426 -0.197 1.00 0.00 H new ATOM 0 HG SER A 43 -10.901 1.634 -2.160 1.00 0.00 H new ATOM 689 N ALA A 44 -7.263 0.052 -1.427 1.00 0.00 N ATOM 690 CA ALA A 44 -6.013 0.685 -1.026 1.00 0.00 C ATOM 691 C ALA A 44 -6.207 1.541 0.221 1.00 0.00 C ATOM 692 O ALA A 44 -5.335 1.598 1.088 1.00 0.00 O ATOM 693 CB ALA A 44 -5.458 1.527 -2.165 1.00 0.00 C ATOM 0 H ALA A 44 -7.418 0.026 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.297 -0.101 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.524 1.994 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.273 0.891 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.179 2.300 -2.431 1.00 0.00 H new ATOM 699 N GLU A 45 -7.356 2.206 0.304 1.00 0.00 N ATOM 700 CA GLU A 45 -7.662 3.060 1.445 1.00 0.00 C ATOM 701 C GLU A 45 -7.729 2.245 2.733 1.00 0.00 C ATOM 702 O GLU A 45 -7.204 2.656 3.768 1.00 0.00 O ATOM 703 CB GLU A 45 -8.988 3.791 1.222 1.00 0.00 C ATOM 704 CG GLU A 45 -8.850 5.067 0.409 1.00 0.00 C ATOM 705 CD GLU A 45 -8.677 4.799 -1.073 1.00 0.00 C ATOM 706 OE1 GLU A 45 -7.521 4.638 -1.516 1.00 0.00 O ATOM 707 OE2 GLU A 45 -9.699 4.750 -1.790 1.00 0.00 O ATOM 0 H GLU A 45 -8.089 2.169 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.862 3.794 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.682 3.121 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.427 4.033 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.733 5.688 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.994 5.635 0.774 1.00 0.00 H new ATOM 714 N GLU A 46 -8.379 1.087 2.661 1.00 0.00 N ATOM 715 CA GLU A 46 -8.515 0.215 3.821 1.00 0.00 C ATOM 716 C GLU A 46 -7.148 -0.153 4.389 1.00 0.00 C ATOM 717 O GLU A 46 -6.902 -0.010 5.587 1.00 0.00 O ATOM 718 CB GLU A 46 -9.282 -1.055 3.445 1.00 0.00 C ATOM 719 CG GLU A 46 -10.790 -0.869 3.414 1.00 0.00 C ATOM 720 CD GLU A 46 -11.317 -0.173 4.653 1.00 0.00 C ATOM 721 OE1 GLU A 46 -10.845 -0.497 5.763 1.00 0.00 O ATOM 722 OE2 GLU A 46 -12.202 0.697 4.513 1.00 0.00 O ATOM 0 H GLU A 46 -8.819 0.732 1.812 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.073 0.755 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.946 -1.395 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.036 -1.842 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.063 -0.289 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.271 -1.842 3.316 1.00 0.00 H new ATOM 729 N PHE A 47 -6.261 -0.629 3.521 1.00 0.00 N ATOM 730 CA PHE A 47 -4.919 -1.019 3.935 1.00 0.00 C ATOM 731 C PHE A 47 -4.225 0.121 4.676 1.00 0.00 C ATOM 732 O PHE A 47 -3.741 -0.055 5.794 1.00 0.00 O ATOM 733 CB PHE A 47 -4.087 -1.433 2.720 1.00 0.00 C ATOM 734 CG PHE A 47 -2.732 -1.974 3.077 1.00 0.00 C ATOM 735 CD1 PHE A 47 -1.658 -1.120 3.263 1.00 0.00 C ATOM 736 CD2 PHE A 47 -2.533 -3.337 3.226 1.00 0.00 C ATOM 737 CE1 PHE A 47 -0.410 -1.615 3.591 1.00 0.00 C ATOM 738 CE2 PHE A 47 -1.288 -3.839 3.554 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.225 -2.976 3.738 1.00 0.00 C ATOM 0 H PHE A 47 -6.448 -0.754 2.526 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.008 -1.868 4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.634 -2.188 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.964 -0.572 2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.797 -0.055 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.361 -4.016 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.420 -0.938 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.146 -4.904 3.666 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.749 -3.365 3.996 1.00 0.00 H new ATOM 749 N TRP A 48 -4.181 1.288 4.044 1.00 0.00 N ATOM 750 CA TRP A 48 -3.546 2.457 4.642 1.00 0.00 C ATOM 751 C TRP A 48 -4.341 2.953 5.845 1.00 0.00 C ATOM 752 O TRP A 48 -3.791 3.583 6.747 1.00 0.00 O ATOM 753 CB TRP A 48 -3.413 3.575 3.607 1.00 0.00 C ATOM 754 CG TRP A 48 -2.413 3.273 2.532 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.627 3.302 1.183 1.00 0.00 C ATOM 756 CD2 TRP A 48 -1.045 2.896 2.715 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.474 2.964 0.517 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.488 2.712 1.434 1.00 0.00 C ATOM 759 CE3 TRP A 48 -0.235 2.697 3.836 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.840 2.338 1.247 1.00 0.00 C ATOM 761 CZ3 TRP A 48 1.083 2.326 3.649 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.610 2.150 2.362 1.00 0.00 C ATOM 0 H TRP A 48 -4.577 1.450 3.118 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.552 2.166 4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.386 3.754 3.149 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.125 4.496 4.113 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.565 3.554 0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.369 2.910 -0.496 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.632 2.831 4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.248 2.201 0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.718 2.169 4.509 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.644 1.860 2.248 1.00 0.00 H new ATOM 773 N ALA A 49 -5.638 2.663 5.851 1.00 0.00 N ATOM 774 CA ALA A 49 -6.508 3.077 6.945 1.00 0.00 C ATOM 775 C ALA A 49 -5.972 2.591 8.287 1.00 0.00 C ATOM 776 O ALA A 49 -5.591 3.391 9.141 1.00 0.00 O ATOM 777 CB ALA A 49 -7.921 2.561 6.720 1.00 0.00 C ATOM 0 H ALA A 49 -6.109 2.143 5.111 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.530 4.167 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.560 2.878 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.310 2.963 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.907 1.472 6.669 1.00 0.00 H new ATOM 783 N ASN A 50 -5.947 1.274 8.467 1.00 0.00 N ATOM 784 CA ASN A 50 -5.458 0.682 9.707 1.00 0.00 C ATOM 785 C ASN A 50 -3.941 0.524 9.674 1.00 0.00 C ATOM 786 O ASN A 50 -3.398 -0.458 10.180 1.00 0.00 O ATOM 787 CB ASN A 50 -6.119 -0.679 9.941 1.00 0.00 C ATOM 788 CG ASN A 50 -7.562 -0.552 10.388 1.00 0.00 C ATOM 789 OD1 ASN A 50 -7.864 0.139 11.361 1.00 0.00 O ATOM 790 ND2 ASN A 50 -8.463 -1.220 9.677 1.00 0.00 N ATOM 0 H ASN A 50 -6.259 0.597 7.771 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.717 1.351 10.527 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.076 -1.263 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.555 -1.229 10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.450 -1.172 9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.168 -1.781 8.878 1.00 0.00 H new ATOM 797 N ARG A 51 -3.264 1.498 9.075 1.00 0.00 N ATOM 798 CA ARG A 51 -1.809 1.467 8.975 1.00 0.00 C ATOM 799 C ARG A 51 -1.195 2.719 9.596 1.00 0.00 C ATOM 800 O ARG A 51 -0.497 2.645 10.607 1.00 0.00 O ATOM 801 CB ARG A 51 -1.380 1.347 7.512 1.00 0.00 C ATOM 802 CG ARG A 51 -1.293 -0.088 7.019 1.00 0.00 C ATOM 803 CD ARG A 51 0.088 -0.677 7.257 1.00 0.00 C ATOM 804 NE ARG A 51 0.671 -0.215 8.514 1.00 0.00 N ATOM 805 CZ ARG A 51 1.612 -0.879 9.176 1.00 0.00 C ATOM 806 NH1 ARG A 51 2.074 -2.029 8.703 1.00 0.00 N ATOM 807 NH2 ARG A 51 2.093 -0.394 10.313 1.00 0.00 N ATOM 0 H ARG A 51 -3.699 2.318 8.652 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.450 0.597 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.087 1.894 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.408 1.825 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.041 -0.695 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.526 -0.123 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.021 -1.765 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.745 -0.405 6.431 1.00 0.00 H new ATOM 0 HE ARG A 51 0.337 0.666 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.707 -2.405 7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.797 -2.537 9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.740 0.490 10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.816 -0.905 10.820 1.00 0.00 H new ATOM 821 N LEU A 52 -1.460 3.867 8.983 1.00 0.00 N ATOM 822 CA LEU A 52 -0.934 5.136 9.474 1.00 0.00 C ATOM 823 C LEU A 52 -1.466 5.442 10.870 1.00 0.00 C ATOM 824 O LEU A 52 -2.262 4.684 11.422 1.00 0.00 O ATOM 825 CB LEU A 52 -1.303 6.269 8.515 1.00 0.00 C ATOM 826 CG LEU A 52 -0.612 6.247 7.152 1.00 0.00 C ATOM 827 CD1 LEU A 52 -1.466 6.951 6.109 1.00 0.00 C ATOM 828 CD2 LEU A 52 0.764 6.892 7.241 1.00 0.00 C ATOM 0 H LEU A 52 -2.036 3.945 8.145 1.00 0.00 H new ATOM 0 HA LEU A 52 0.152 5.054 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.381 6.245 8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.074 7.218 9.000 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.485 5.208 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.958 6.925 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.428 6.446 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.625 7.987 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.241 6.867 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.660 7.927 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.377 6.344 7.957 1.00 0.00 H new ATOM 840 N ASN A 53 -1.020 6.559 11.436 1.00 0.00 N ATOM 841 CA ASN A 53 -1.453 6.967 12.767 1.00 0.00 C ATOM 842 C ASN A 53 -2.426 8.140 12.688 1.00 0.00 C ATOM 843 O ASN A 53 -2.606 8.740 11.629 1.00 0.00 O ATOM 844 CB ASN A 53 -0.244 7.349 13.624 1.00 0.00 C ATOM 845 CG ASN A 53 0.789 6.242 13.693 1.00 0.00 C ATOM 846 OD1 ASN A 53 0.625 5.269 14.429 1.00 0.00 O ATOM 847 ND2 ASN A 53 1.862 6.385 12.923 1.00 0.00 N ATOM 0 H ASN A 53 -0.359 7.197 10.993 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.966 6.124 13.229 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.218 8.248 13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.579 7.593 14.632 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.591 5.672 12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.957 7.208 12.328 1.00 0.00 H new ATOM 854 N VAL A 54 -3.050 8.461 13.817 1.00 0.00 N ATOM 855 CA VAL A 54 -4.003 9.563 13.877 1.00 0.00 C ATOM 856 C VAL A 54 -3.296 10.887 14.148 1.00 0.00 C ATOM 857 O VAL A 54 -2.885 11.163 15.274 1.00 0.00 O ATOM 858 CB VAL A 54 -5.065 9.328 14.967 1.00 0.00 C ATOM 859 CG1 VAL A 54 -4.430 9.370 16.349 1.00 0.00 C ATOM 860 CG2 VAL A 54 -6.181 10.355 14.853 1.00 0.00 C ATOM 0 H VAL A 54 -2.913 7.974 14.702 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.495 9.609 12.905 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.497 8.338 14.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.196 9.202 17.106 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.669 8.593 16.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.970 10.345 16.508 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.923 10.174 15.631 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.767 11.356 14.972 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.654 10.271 13.874 1.00 0.00 H new ATOM 870 N ASN A 55 -3.160 11.702 13.107 1.00 0.00 N ATOM 871 CA ASN A 55 -2.503 12.998 13.233 1.00 0.00 C ATOM 872 C ASN A 55 -1.321 12.918 14.195 1.00 0.00 C ATOM 873 O ASN A 55 -1.109 13.816 15.010 1.00 0.00 O ATOM 874 CB ASN A 55 -3.499 14.054 13.717 1.00 0.00 C ATOM 875 CG ASN A 55 -3.146 15.447 13.232 1.00 0.00 C ATOM 876 OD1 ASN A 55 -3.247 15.746 12.042 1.00 0.00 O ATOM 877 ND2 ASN A 55 -2.730 16.306 14.155 1.00 0.00 N ATOM 0 H ASN A 55 -3.496 11.488 12.168 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.129 13.285 12.250 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.498 13.793 13.369 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.529 14.048 14.807 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.479 17.258 13.889 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.662 16.014 15.130 1.00 0.00 H new ATOM 884 N SER A 56 -0.555 11.836 14.095 1.00 0.00 N ATOM 885 CA SER A 56 0.603 11.637 14.958 1.00 0.00 C ATOM 886 C SER A 56 1.412 12.924 15.087 1.00 0.00 C ATOM 887 O SER A 56 1.864 13.280 16.174 1.00 0.00 O ATOM 888 CB SER A 56 1.488 10.517 14.408 1.00 0.00 C ATOM 889 OG SER A 56 1.733 10.694 13.023 1.00 0.00 O ATOM 0 H SER A 56 -0.716 11.084 13.425 1.00 0.00 H new ATOM 0 HA SER A 56 0.244 11.354 15.948 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.434 10.498 14.948 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.007 9.553 14.575 1.00 0.00 H new ATOM 0 HG SER A 56 2.302 9.966 12.696 1.00 0.00 H new ATOM 895 N GLY A 57 1.591 13.618 13.967 1.00 0.00 N ATOM 896 CA GLY A 57 2.346 14.858 13.975 1.00 0.00 C ATOM 897 C GLY A 57 3.739 14.684 14.546 1.00 0.00 C ATOM 898 O GLY A 57 3.994 14.974 15.715 1.00 0.00 O ATOM 0 H GLY A 57 1.227 13.344 13.055 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.419 15.242 12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.808 15.604 14.559 1.00 0.00 H new ATOM 902 N PRO A 58 4.669 14.200 13.710 1.00 0.00 N ATOM 903 CA PRO A 58 6.060 13.976 14.117 1.00 0.00 C ATOM 904 C PRO A 58 6.812 15.281 14.353 1.00 0.00 C ATOM 905 O PRO A 58 7.500 15.438 15.362 1.00 0.00 O ATOM 906 CB PRO A 58 6.660 13.221 12.928 1.00 0.00 C ATOM 907 CG PRO A 58 5.822 13.621 11.763 1.00 0.00 C ATOM 908 CD PRO A 58 4.435 13.833 12.303 1.00 0.00 C ATOM 0 HA PRO A 58 6.126 13.435 15.061 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.705 13.490 12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.628 12.143 13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.204 14.532 11.302 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.828 12.848 10.995 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.910 14.622 11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.829 12.931 12.218 1.00 0.00 H new ATOM 916 N SER A 59 6.675 16.215 13.417 1.00 0.00 N ATOM 917 CA SER A 59 7.345 17.506 13.522 1.00 0.00 C ATOM 918 C SER A 59 8.715 17.356 14.176 1.00 0.00 C ATOM 919 O SER A 59 9.067 18.107 15.086 1.00 0.00 O ATOM 920 CB SER A 59 6.488 18.485 14.327 1.00 0.00 C ATOM 921 OG SER A 59 6.069 17.908 15.552 1.00 0.00 O ATOM 0 H SER A 59 6.106 16.102 12.578 1.00 0.00 H new ATOM 0 HA SER A 59 7.484 17.898 12.515 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.057 19.393 14.525 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.616 18.776 13.742 1.00 0.00 H new ATOM 0 HG SER A 59 5.524 18.554 16.048 1.00 0.00 H new ATOM 927 N SER A 60 9.484 16.379 13.706 1.00 0.00 N ATOM 928 CA SER A 60 10.815 16.126 14.247 1.00 0.00 C ATOM 929 C SER A 60 11.890 16.733 13.350 1.00 0.00 C ATOM 930 O SER A 60 12.913 16.106 13.077 1.00 0.00 O ATOM 931 CB SER A 60 11.050 14.622 14.398 1.00 0.00 C ATOM 932 OG SER A 60 12.063 14.357 15.352 1.00 0.00 O ATOM 0 H SER A 60 9.209 15.750 12.952 1.00 0.00 H new ATOM 0 HA SER A 60 10.877 16.596 15.228 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.124 14.135 14.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.333 14.197 13.435 1.00 0.00 H new ATOM 0 HG SER A 60 12.890 14.809 15.085 1.00 0.00 H new ATOM 938 N GLY A 61 11.650 17.959 12.895 1.00 0.00 N ATOM 939 CA GLY A 61 12.605 18.631 12.034 1.00 0.00 C ATOM 940 C GLY A 61 13.863 19.042 12.773 1.00 0.00 C ATOM 941 O GLY A 61 14.270 20.203 12.723 1.00 0.00 O ATOM 0 H GLY A 61 10.811 18.499 13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.872 17.972 11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.138 19.514 11.599 1.00 0.00 H new TER 945 GLY A 61