USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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 NoAdj-H: A 51 HIS HE2 : A 51 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 28 LYS NZ :NH3+ -135:sc= 0.415 (180deg=-0.00565) USER MOD Set 1.2: A 41 TYR OH : rot -91:sc= 0.0397 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0551 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00729 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 169:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.879 K(o=-0.88,f=-2.4!) USER MOD Single : A 23 CYS SG : rot 20:sc= 0.0213 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -122:sc= -0.713 (180deg=-3.29!) USER MOD Single : A 38 GLN : amide:sc= 0.98 K(o=0.98,f=-7.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.07 K(o=-2.1,f=-8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -41:sc= 0.472 USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.51) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 0.715 (180deg=0.137) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.42) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.027 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.861 -20.456 7.644 1.00 0.00 N ATOM 2 CA GLY A 1 2.176 -21.327 6.526 1.00 0.00 C ATOM 3 C GLY A 1 2.981 -20.623 5.452 1.00 0.00 C ATOM 4 O GLY A 1 3.559 -19.563 5.693 1.00 0.00 O ATOM 0 H1 GLY A 1 2.253 -20.859 8.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.275 -19.516 7.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.829 -20.368 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.735 -22.190 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.250 -21.706 6.092 1.00 0.00 H new ATOM 8 N SER A 2 3.022 -21.214 4.262 1.00 0.00 N ATOM 9 CA SER A 2 3.767 -20.639 3.148 1.00 0.00 C ATOM 10 C SER A 2 2.829 -19.940 2.169 1.00 0.00 C ATOM 11 O SER A 2 2.974 -20.069 0.953 1.00 0.00 O ATOM 12 CB SER A 2 4.561 -21.727 2.422 1.00 0.00 C ATOM 13 OG SER A 2 3.698 -22.706 1.869 1.00 0.00 O ATOM 0 H SER A 2 2.548 -22.091 4.045 1.00 0.00 H new ATOM 0 HA SER A 2 4.460 -19.900 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.160 -21.277 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.255 -22.200 3.117 1.00 0.00 H new ATOM 0 HG SER A 2 4.230 -23.389 1.409 1.00 0.00 H new ATOM 19 N SER A 3 1.866 -19.200 2.708 1.00 0.00 N ATOM 20 CA SER A 3 0.900 -18.483 1.884 1.00 0.00 C ATOM 21 C SER A 3 0.576 -17.120 2.488 1.00 0.00 C ATOM 22 O SER A 3 0.548 -16.959 3.707 1.00 0.00 O ATOM 23 CB SER A 3 -0.382 -19.304 1.732 1.00 0.00 C ATOM 24 OG SER A 3 -0.903 -19.674 2.997 1.00 0.00 O ATOM 0 H SER A 3 1.734 -19.081 3.712 1.00 0.00 H new ATOM 0 HA SER A 3 1.343 -18.329 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.126 -18.725 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.177 -20.198 1.144 1.00 0.00 H new ATOM 0 HG SER A 3 -1.723 -20.196 2.873 1.00 0.00 H new ATOM 30 N GLY A 4 0.332 -16.139 1.623 1.00 0.00 N ATOM 31 CA GLY A 4 0.013 -14.802 2.089 1.00 0.00 C ATOM 32 C GLY A 4 1.074 -13.788 1.709 1.00 0.00 C ATOM 33 O GLY A 4 1.439 -12.931 2.514 1.00 0.00 O ATOM 0 H GLY A 4 0.350 -16.247 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.946 -14.494 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.101 -14.816 3.173 1.00 0.00 H new ATOM 37 N SER A 5 1.572 -13.886 0.481 1.00 0.00 N ATOM 38 CA SER A 5 2.602 -12.974 -0.002 1.00 0.00 C ATOM 39 C SER A 5 2.004 -11.613 -0.347 1.00 0.00 C ATOM 40 O SER A 5 2.530 -10.573 0.048 1.00 0.00 O ATOM 41 CB SER A 5 3.302 -13.563 -1.228 1.00 0.00 C ATOM 42 OG SER A 5 4.306 -12.688 -1.712 1.00 0.00 O ATOM 0 H SER A 5 1.279 -14.588 -0.198 1.00 0.00 H new ATOM 0 HA SER A 5 3.334 -12.838 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.747 -14.524 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.570 -13.751 -2.013 1.00 0.00 H new ATOM 0 HG SER A 5 4.739 -13.088 -2.495 1.00 0.00 H new ATOM 48 N SER A 6 0.901 -11.630 -1.088 1.00 0.00 N ATOM 49 CA SER A 6 0.232 -10.399 -1.491 1.00 0.00 C ATOM 50 C SER A 6 0.173 -9.408 -0.333 1.00 0.00 C ATOM 51 O SER A 6 -0.340 -9.720 0.741 1.00 0.00 O ATOM 52 CB SER A 6 -1.183 -10.702 -1.990 1.00 0.00 C ATOM 53 OG SER A 6 -1.174 -11.751 -2.942 1.00 0.00 O ATOM 0 H SER A 6 0.452 -12.483 -1.421 1.00 0.00 H new ATOM 0 HA SER A 6 0.807 -9.951 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.818 -10.977 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.615 -9.806 -2.436 1.00 0.00 H new ATOM 0 HG SER A 6 -2.090 -11.927 -3.244 1.00 0.00 H new ATOM 59 N GLY A 7 0.704 -8.210 -0.559 1.00 0.00 N ATOM 60 CA GLY A 7 0.703 -7.191 0.474 1.00 0.00 C ATOM 61 C GLY A 7 -0.635 -6.487 0.593 1.00 0.00 C ATOM 62 O GLY A 7 -1.678 -7.067 0.291 1.00 0.00 O ATOM 0 H GLY A 7 1.135 -7.927 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.956 -7.648 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.478 -6.457 0.256 1.00 0.00 H new ATOM 66 N SER A 8 -0.605 -5.234 1.035 1.00 0.00 N ATOM 67 CA SER A 8 -1.825 -4.452 1.198 1.00 0.00 C ATOM 68 C SER A 8 -1.684 -3.082 0.544 1.00 0.00 C ATOM 69 O SER A 8 -0.581 -2.655 0.201 1.00 0.00 O ATOM 70 CB SER A 8 -2.157 -4.289 2.683 1.00 0.00 C ATOM 71 OG SER A 8 -3.555 -4.181 2.885 1.00 0.00 O ATOM 0 H SER A 8 0.250 -4.739 1.287 1.00 0.00 H new ATOM 0 HA SER A 8 -2.638 -4.987 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.771 -5.142 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.660 -3.401 3.074 1.00 0.00 H new ATOM 0 HG SER A 8 -3.740 -4.080 3.842 1.00 0.00 H new ATOM 77 N LYS A 9 -2.809 -2.395 0.373 1.00 0.00 N ATOM 78 CA LYS A 9 -2.814 -1.072 -0.239 1.00 0.00 C ATOM 79 C LYS A 9 -2.220 -0.033 0.707 1.00 0.00 C ATOM 80 O LYS A 9 -1.269 0.666 0.359 1.00 0.00 O ATOM 81 CB LYS A 9 -4.239 -0.671 -0.625 1.00 0.00 C ATOM 82 CG LYS A 9 -4.905 -1.641 -1.586 1.00 0.00 C ATOM 83 CD LYS A 9 -4.464 -1.395 -3.019 1.00 0.00 C ATOM 84 CE LYS A 9 -5.375 -2.103 -4.011 1.00 0.00 C ATOM 85 NZ LYS A 9 -4.813 -2.086 -5.390 1.00 0.00 N ATOM 0 H LYS A 9 -3.730 -2.734 0.650 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.199 -1.113 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.844 -0.595 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.218 0.320 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.661 -2.664 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.988 -1.540 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.465 -0.324 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.440 -1.744 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.526 -3.135 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.354 -1.623 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.463 -2.578 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.692 -1.102 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.891 -2.566 -5.395 1.00 0.00 H new ATOM 99 N VAL A 10 -2.788 0.062 1.905 1.00 0.00 N ATOM 100 CA VAL A 10 -2.313 1.014 2.903 1.00 0.00 C ATOM 101 C VAL A 10 -0.790 1.019 2.977 1.00 0.00 C ATOM 102 O VAL A 10 -0.179 2.025 3.336 1.00 0.00 O ATOM 103 CB VAL A 10 -2.883 0.696 4.298 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.322 -0.618 4.818 1.00 0.00 C ATOM 105 CG2 VAL A 10 -2.586 1.832 5.265 1.00 0.00 C ATOM 0 H VAL A 10 -3.577 -0.508 2.208 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.662 1.999 2.592 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.965 0.593 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.736 -0.825 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.590 -1.424 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.236 -0.548 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.996 1.591 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.508 1.969 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.042 2.751 4.897 1.00 0.00 H new ATOM 115 N TRP A 11 -0.184 -0.112 2.635 1.00 0.00 N ATOM 116 CA TRP A 11 1.269 -0.239 2.663 1.00 0.00 C ATOM 117 C TRP A 11 1.903 0.512 1.496 1.00 0.00 C ATOM 118 O TRP A 11 2.906 1.205 1.663 1.00 0.00 O ATOM 119 CB TRP A 11 1.674 -1.713 2.617 1.00 0.00 C ATOM 120 CG TRP A 11 1.290 -2.473 3.850 1.00 0.00 C ATOM 121 CD1 TRP A 11 0.586 -3.642 3.906 1.00 0.00 C ATOM 122 CD2 TRP A 11 1.586 -2.115 5.205 1.00 0.00 C ATOM 123 NE1 TRP A 11 0.427 -4.033 5.214 1.00 0.00 N ATOM 124 CE2 TRP A 11 1.032 -3.114 6.030 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.267 -1.051 5.800 1.00 0.00 C ATOM 126 CZ2 TRP A 11 1.138 -3.076 7.417 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.371 -1.014 7.178 1.00 0.00 C ATOM 128 CH2 TRP A 11 1.810 -2.021 7.974 1.00 0.00 C ATOM 0 H TRP A 11 -0.675 -0.954 2.335 1.00 0.00 H new ATOM 0 HA TRP A 11 1.630 0.200 3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.210 -2.183 1.750 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.753 -1.782 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.210 -4.180 3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.062 -4.872 5.526 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.705 -0.271 5.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.706 -3.851 8.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.894 -0.195 7.649 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.909 -1.964 9.048 1.00 0.00 H new ATOM 139 N LYS A 12 1.311 0.369 0.315 1.00 0.00 N ATOM 140 CA LYS A 12 1.817 1.035 -0.879 1.00 0.00 C ATOM 141 C LYS A 12 2.408 2.398 -0.534 1.00 0.00 C ATOM 142 O LYS A 12 3.397 2.826 -1.130 1.00 0.00 O ATOM 143 CB LYS A 12 0.697 1.199 -1.909 1.00 0.00 C ATOM 144 CG LYS A 12 0.381 -0.075 -2.672 1.00 0.00 C ATOM 145 CD LYS A 12 1.407 -0.344 -3.760 1.00 0.00 C ATOM 146 CE LYS A 12 0.821 -1.182 -4.885 1.00 0.00 C ATOM 147 NZ LYS A 12 1.516 -0.937 -6.179 1.00 0.00 N ATOM 0 H LYS A 12 0.480 -0.202 0.159 1.00 0.00 H new ATOM 0 HA LYS A 12 2.606 0.414 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.205 1.542 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.978 1.977 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.354 -0.917 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.611 0.003 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.770 0.602 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.267 -0.859 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.895 -2.239 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.239 -0.954 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.087 -1.527 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.424 0.066 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.523 -1.179 -6.083 1.00 0.00 H new ATOM 161 N TYR A 13 1.798 3.074 0.433 1.00 0.00 N ATOM 162 CA TYR A 13 2.264 4.389 0.857 1.00 0.00 C ATOM 163 C TYR A 13 3.411 4.265 1.855 1.00 0.00 C ATOM 164 O TYR A 13 4.460 4.888 1.693 1.00 0.00 O ATOM 165 CB TYR A 13 1.115 5.184 1.479 1.00 0.00 C ATOM 166 CG TYR A 13 -0.067 5.367 0.553 1.00 0.00 C ATOM 167 CD1 TYR A 13 -1.102 4.440 0.524 1.00 0.00 C ATOM 168 CD2 TYR A 13 -0.149 6.467 -0.292 1.00 0.00 C ATOM 169 CE1 TYR A 13 -2.182 4.603 -0.321 1.00 0.00 C ATOM 170 CE2 TYR A 13 -1.226 6.639 -1.139 1.00 0.00 C ATOM 171 CZ TYR A 13 -2.240 5.704 -1.150 1.00 0.00 C ATOM 172 OH TYR A 13 -3.316 5.870 -1.992 1.00 0.00 O ATOM 0 H TYR A 13 0.980 2.733 0.938 1.00 0.00 H new ATOM 0 HA TYR A 13 2.629 4.919 -0.023 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.781 4.676 2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.484 6.164 1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.061 3.578 1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.644 7.201 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.977 3.872 -0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.274 7.500 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.204 6.696 -2.507 1.00 0.00 H new ATOM 182 N PHE A 14 3.202 3.456 2.888 1.00 0.00 N ATOM 183 CA PHE A 14 4.218 3.248 3.914 1.00 0.00 C ATOM 184 C PHE A 14 4.892 1.890 3.745 1.00 0.00 C ATOM 185 O PHE A 14 4.368 0.866 4.182 1.00 0.00 O ATOM 186 CB PHE A 14 3.593 3.351 5.307 1.00 0.00 C ATOM 187 CG PHE A 14 2.630 4.495 5.449 1.00 0.00 C ATOM 188 CD1 PHE A 14 1.382 4.445 4.851 1.00 0.00 C ATOM 189 CD2 PHE A 14 2.974 5.620 6.181 1.00 0.00 C ATOM 190 CE1 PHE A 14 0.493 5.495 4.980 1.00 0.00 C ATOM 191 CE2 PHE A 14 2.089 6.673 6.315 1.00 0.00 C ATOM 192 CZ PHE A 14 0.847 6.611 5.712 1.00 0.00 C ATOM 0 H PHE A 14 2.339 2.934 3.037 1.00 0.00 H new ATOM 0 HA PHE A 14 4.975 4.025 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.074 2.420 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.387 3.461 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.100 3.575 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.944 5.675 6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.477 5.443 4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.368 7.543 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.155 7.434 5.813 1.00 0.00 H new ATOM 202 N GLY A 15 6.059 1.890 3.107 1.00 0.00 N ATOM 203 CA GLY A 15 6.786 0.653 2.891 1.00 0.00 C ATOM 204 C GLY A 15 8.149 0.659 3.554 1.00 0.00 C ATOM 205 O GLY A 15 8.961 1.552 3.313 1.00 0.00 O ATOM 0 H GLY A 15 6.513 2.725 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.201 -0.181 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.907 0.488 1.820 1.00 0.00 H new ATOM 209 N PHE A 16 8.402 -0.341 4.392 1.00 0.00 N ATOM 210 CA PHE A 16 9.675 -0.446 5.095 1.00 0.00 C ATOM 211 C PHE A 16 10.647 -1.338 4.327 1.00 0.00 C ATOM 212 O PHE A 16 10.361 -2.507 4.068 1.00 0.00 O ATOM 213 CB PHE A 16 9.460 -1.001 6.504 1.00 0.00 C ATOM 214 CG PHE A 16 10.496 -0.547 7.492 1.00 0.00 C ATOM 215 CD1 PHE A 16 10.868 0.786 7.562 1.00 0.00 C ATOM 216 CD2 PHE A 16 11.098 -1.452 8.351 1.00 0.00 C ATOM 217 CE1 PHE A 16 11.822 1.207 8.469 1.00 0.00 C ATOM 218 CE2 PHE A 16 12.052 -1.037 9.261 1.00 0.00 C ATOM 219 CZ PHE A 16 12.413 0.295 9.321 1.00 0.00 C ATOM 0 H PHE A 16 7.742 -1.090 4.601 1.00 0.00 H new ATOM 0 HA PHE A 16 10.105 0.553 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.475 -0.699 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.463 -2.090 6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.407 1.504 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.818 -2.494 8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.105 2.248 8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.514 -1.753 9.924 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.156 0.623 10.033 1.00 0.00 H new ATOM 229 N ASP A 17 11.796 -0.777 3.966 1.00 0.00 N ATOM 230 CA ASP A 17 12.811 -1.520 3.229 1.00 0.00 C ATOM 231 C ASP A 17 13.462 -2.578 4.115 1.00 0.00 C ATOM 232 O ASP A 17 14.635 -2.469 4.472 1.00 0.00 O ATOM 233 CB ASP A 17 13.877 -0.567 2.685 1.00 0.00 C ATOM 234 CG ASP A 17 14.376 0.404 3.737 1.00 0.00 C ATOM 235 OD1 ASP A 17 15.084 -0.039 4.666 1.00 0.00 O ATOM 236 OD2 ASP A 17 14.060 1.607 3.631 1.00 0.00 O ATOM 0 H ASP A 17 12.048 0.190 4.172 1.00 0.00 H new ATOM 0 HA ASP A 17 12.323 -2.022 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.717 -1.147 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.466 -0.008 1.845 1.00 0.00 H new ATOM 241 N THR A 18 12.691 -3.602 4.469 1.00 0.00 N ATOM 242 CA THR A 18 13.190 -4.678 5.316 1.00 0.00 C ATOM 243 C THR A 18 12.823 -6.042 4.744 1.00 0.00 C ATOM 244 O THR A 18 11.754 -6.578 5.030 1.00 0.00 O ATOM 245 CB THR A 18 12.636 -4.568 6.749 1.00 0.00 C ATOM 246 OG1 THR A 18 11.238 -4.261 6.712 1.00 0.00 O ATOM 247 CG2 THR A 18 13.376 -3.496 7.535 1.00 0.00 C ATOM 0 H THR A 18 11.718 -3.708 4.182 1.00 0.00 H new ATOM 0 HA THR A 18 14.275 -4.580 5.346 1.00 0.00 H new ATOM 0 HB THR A 18 12.783 -5.527 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.856 -4.366 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.967 -3.437 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.435 -3.749 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.257 -2.533 7.038 1.00 0.00 H new ATOM 255 N ASN A 19 13.718 -6.600 3.935 1.00 0.00 N ATOM 256 CA ASN A 19 13.488 -7.903 3.323 1.00 0.00 C ATOM 257 C ASN A 19 12.046 -8.031 2.840 1.00 0.00 C ATOM 258 O ASN A 19 11.425 -9.083 2.981 1.00 0.00 O ATOM 259 CB ASN A 19 13.805 -9.021 4.319 1.00 0.00 C ATOM 260 CG ASN A 19 15.295 -9.188 4.546 1.00 0.00 C ATOM 261 OD1 ASN A 19 16.054 -8.220 4.496 1.00 0.00 O ATOM 262 ND2 ASN A 19 15.720 -10.421 4.797 1.00 0.00 N ATOM 0 H ASN A 19 14.609 -6.170 3.688 1.00 0.00 H new ATOM 0 HA ASN A 19 14.150 -7.994 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.317 -8.806 5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.389 -9.959 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.712 -10.596 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.054 -11.193 4.829 1.00 0.00 H new ATOM 269 N ALA A 20 11.522 -6.951 2.270 1.00 0.00 N ATOM 270 CA ALA A 20 10.155 -6.942 1.764 1.00 0.00 C ATOM 271 C ALA A 20 9.809 -8.268 1.094 1.00 0.00 C ATOM 272 O ALA A 20 8.727 -8.815 1.302 1.00 0.00 O ATOM 273 CB ALA A 20 9.960 -5.789 0.790 1.00 0.00 C ATOM 0 H ALA A 20 12.023 -6.071 2.147 1.00 0.00 H new ATOM 0 HA ALA A 20 9.481 -6.806 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.935 -5.795 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.157 -4.845 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.648 -5.900 -0.048 1.00 0.00 H new ATOM 279 N GLU A 21 10.735 -8.777 0.288 1.00 0.00 N ATOM 280 CA GLU A 21 10.526 -10.039 -0.413 1.00 0.00 C ATOM 281 C GLU A 21 9.762 -11.028 0.462 1.00 0.00 C ATOM 282 O GLU A 21 8.834 -11.692 0.002 1.00 0.00 O ATOM 283 CB GLU A 21 11.868 -10.643 -0.833 1.00 0.00 C ATOM 284 CG GLU A 21 12.401 -10.089 -2.144 1.00 0.00 C ATOM 285 CD GLU A 21 13.480 -10.965 -2.752 1.00 0.00 C ATOM 286 OE1 GLU A 21 13.214 -12.164 -2.975 1.00 0.00 O ATOM 287 OE2 GLU A 21 14.589 -10.450 -3.004 1.00 0.00 O ATOM 0 H GLU A 21 11.636 -8.336 0.104 1.00 0.00 H new ATOM 0 HA GLU A 21 9.932 -9.836 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.601 -10.461 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.758 -11.724 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.579 -9.988 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.802 -9.089 -1.976 1.00 0.00 H new ATOM 294 N GLY A 22 10.161 -11.121 1.727 1.00 0.00 N ATOM 295 CA GLY A 22 9.504 -12.031 2.647 1.00 0.00 C ATOM 296 C GLY A 22 8.816 -11.307 3.786 1.00 0.00 C ATOM 297 O GLY A 22 7.737 -10.740 3.609 1.00 0.00 O ATOM 0 H GLY A 22 10.927 -10.582 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.770 -12.626 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.239 -12.725 3.053 1.00 0.00 H new ATOM 301 N CYS A 23 9.438 -11.328 4.960 1.00 0.00 N ATOM 302 CA CYS A 23 8.877 -10.670 6.134 1.00 0.00 C ATOM 303 C CYS A 23 9.972 -9.997 6.956 1.00 0.00 C ATOM 304 O CYS A 23 11.020 -10.590 7.215 1.00 0.00 O ATOM 305 CB CYS A 23 8.122 -11.681 6.999 1.00 0.00 C ATOM 306 SG CYS A 23 6.438 -12.022 6.436 1.00 0.00 S ATOM 0 H CYS A 23 10.331 -11.794 5.124 1.00 0.00 H new ATOM 0 HA CYS A 23 8.181 -9.903 5.792 1.00 0.00 H new ATOM 0 HB2 CYS A 23 8.683 -12.615 7.020 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.083 -11.309 8.023 1.00 0.00 H new ATOM 0 HG CYS A 23 6.317 -11.668 5.191 1.00 0.00 H new ATOM 312 N ILE A 24 9.722 -8.757 7.362 1.00 0.00 N ATOM 313 CA ILE A 24 10.687 -8.004 8.153 1.00 0.00 C ATOM 314 C ILE A 24 11.401 -8.906 9.154 1.00 0.00 C ATOM 315 O ILE A 24 10.831 -9.884 9.642 1.00 0.00 O ATOM 316 CB ILE A 24 10.011 -6.847 8.913 1.00 0.00 C ATOM 317 CG1 ILE A 24 9.484 -7.334 10.264 1.00 0.00 C ATOM 318 CG2 ILE A 24 8.884 -6.254 8.081 1.00 0.00 C ATOM 319 CD1 ILE A 24 8.406 -8.389 10.147 1.00 0.00 C ATOM 0 H ILE A 24 8.860 -8.253 7.156 1.00 0.00 H new ATOM 0 HA ILE A 24 11.415 -7.593 7.454 1.00 0.00 H new ATOM 0 HB ILE A 24 10.752 -6.068 9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.314 -7.737 10.845 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.090 -6.483 10.819 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.416 -5.438 8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.286 -5.875 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.141 -7.024 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.079 -8.688 11.143 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.559 -7.984 9.594 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.802 -9.257 9.620 1.00 0.00 H new ATOM 331 N LEU A 25 12.650 -8.572 9.458 1.00 0.00 N ATOM 332 CA LEU A 25 13.442 -9.350 10.403 1.00 0.00 C ATOM 333 C LEU A 25 13.906 -8.483 11.569 1.00 0.00 C ATOM 334 O LEU A 25 13.936 -8.933 12.715 1.00 0.00 O ATOM 335 CB LEU A 25 14.652 -9.967 9.699 1.00 0.00 C ATOM 336 CG LEU A 25 15.705 -8.982 9.188 1.00 0.00 C ATOM 337 CD1 LEU A 25 16.755 -8.723 10.257 1.00 0.00 C ATOM 338 CD2 LEU A 25 16.354 -9.508 7.916 1.00 0.00 C ATOM 0 H LEU A 25 13.136 -7.767 9.063 1.00 0.00 H new ATOM 0 HA LEU A 25 12.812 -10.148 10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.135 -10.659 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.295 -10.556 8.855 1.00 0.00 H new ATOM 0 HG LEU A 25 15.211 -8.038 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.496 -8.020 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.277 -8.303 11.142 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.245 -9.660 10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.100 -8.795 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.834 -10.465 8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.593 -9.642 7.148 1.00 0.00 H new ATOM 350 N GLN A 26 14.263 -7.239 11.269 1.00 0.00 N ATOM 351 CA GLN A 26 14.724 -6.309 12.293 1.00 0.00 C ATOM 352 C GLN A 26 13.562 -5.493 12.850 1.00 0.00 C ATOM 353 O GLN A 26 12.423 -5.632 12.403 1.00 0.00 O ATOM 354 CB GLN A 26 15.791 -5.374 11.721 1.00 0.00 C ATOM 355 CG GLN A 26 15.293 -4.514 10.571 1.00 0.00 C ATOM 356 CD GLN A 26 16.417 -4.027 9.677 1.00 0.00 C ATOM 357 OE1 GLN A 26 17.147 -4.824 9.088 1.00 0.00 O ATOM 358 NE2 GLN A 26 16.561 -2.711 9.572 1.00 0.00 N ATOM 0 H GLN A 26 14.242 -6.852 10.326 1.00 0.00 H new ATOM 0 HA GLN A 26 15.159 -6.890 13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.158 -4.725 12.516 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.638 -5.969 11.379 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.582 -5.087 9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.754 -3.655 10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.933 -2.087 10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.300 -2.324 8.985 1.00 0.00 H new ATOM 367 N TRP A 27 13.857 -4.642 13.826 1.00 0.00 N ATOM 368 CA TRP A 27 12.835 -3.804 14.444 1.00 0.00 C ATOM 369 C TRP A 27 11.832 -3.314 13.405 1.00 0.00 C ATOM 370 O TRP A 27 12.213 -2.770 12.368 1.00 0.00 O ATOM 371 CB TRP A 27 13.483 -2.611 15.148 1.00 0.00 C ATOM 372 CG TRP A 27 14.679 -2.071 14.424 1.00 0.00 C ATOM 373 CD1 TRP A 27 14.678 -1.333 13.275 1.00 0.00 C ATOM 374 CD2 TRP A 27 16.052 -2.231 14.799 1.00 0.00 C ATOM 375 NE1 TRP A 27 15.967 -1.023 12.914 1.00 0.00 N ATOM 376 CE2 TRP A 27 16.828 -1.561 13.833 1.00 0.00 C ATOM 377 CE3 TRP A 27 16.701 -2.871 15.858 1.00 0.00 C ATOM 378 CZ2 TRP A 27 18.218 -1.517 13.895 1.00 0.00 C ATOM 379 CZ3 TRP A 27 18.080 -2.826 15.919 1.00 0.00 C ATOM 380 CH2 TRP A 27 18.827 -2.153 14.943 1.00 0.00 C ATOM 0 H TRP A 27 14.795 -4.514 14.207 1.00 0.00 H new ATOM 0 HA TRP A 27 12.302 -4.406 15.180 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.744 -1.817 15.256 1.00 0.00 H new ATOM 0 HB3 TRP A 27 13.780 -2.909 16.153 1.00 0.00 H new ATOM 0 HD1 TRP A 27 13.794 -1.037 12.730 1.00 0.00 H new ATOM 0 HE1 TRP A 27 16.239 -0.480 12.094 1.00 0.00 H new ATOM 0 HE3 TRP A 27 16.134 -3.392 16.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 18.795 -1.000 13.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 18.591 -3.318 16.733 1.00 0.00 H new ATOM 0 HH2 TRP A 27 19.904 -2.136 15.019 1.00 0.00 H new ATOM 391 N LYS A 28 10.549 -3.509 13.690 1.00 0.00 N ATOM 392 CA LYS A 28 9.491 -3.085 12.781 1.00 0.00 C ATOM 393 C LYS A 28 9.223 -1.590 12.918 1.00 0.00 C ATOM 394 O LYS A 28 8.710 -1.131 13.939 1.00 0.00 O ATOM 395 CB LYS A 28 8.207 -3.872 13.059 1.00 0.00 C ATOM 396 CG LYS A 28 7.062 -3.516 12.126 1.00 0.00 C ATOM 397 CD LYS A 28 6.135 -4.699 11.905 1.00 0.00 C ATOM 398 CE LYS A 28 4.954 -4.324 11.023 1.00 0.00 C ATOM 399 NZ LYS A 28 3.905 -5.381 11.022 1.00 0.00 N ATOM 0 H LYS A 28 10.217 -3.958 14.543 1.00 0.00 H new ATOM 0 HA LYS A 28 9.820 -3.285 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.418 -4.938 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.896 -3.692 14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.497 -2.683 12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.462 -3.182 11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.690 -5.516 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.772 -5.063 12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.524 -3.385 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.301 -4.156 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.584 -5.551 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.298 -6.260 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.100 -5.071 11.603 1.00 0.00 H new ATOM 413 N LYS A 29 9.571 -0.834 11.882 1.00 0.00 N ATOM 414 CA LYS A 29 9.366 0.609 11.884 1.00 0.00 C ATOM 415 C LYS A 29 8.723 1.069 10.580 1.00 0.00 C ATOM 416 O LYS A 29 9.031 0.548 9.508 1.00 0.00 O ATOM 417 CB LYS A 29 10.698 1.334 12.092 1.00 0.00 C ATOM 418 CG LYS A 29 10.559 2.843 12.197 1.00 0.00 C ATOM 419 CD LYS A 29 11.903 3.538 12.052 1.00 0.00 C ATOM 420 CE LYS A 29 11.748 5.051 12.023 1.00 0.00 C ATOM 421 NZ LYS A 29 11.812 5.641 13.389 1.00 0.00 N ATOM 0 H LYS A 29 9.997 -1.198 11.029 1.00 0.00 H new ATOM 0 HA LYS A 29 8.694 0.854 12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.170 0.957 13.000 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.365 1.096 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.878 3.201 11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.116 3.103 13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.552 3.254 12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.390 3.203 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.533 5.485 11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.796 5.310 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.702 6.673 13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.048 5.246 13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.731 5.416 13.822 1.00 0.00 H new ATOM 435 N ILE A 30 7.830 2.048 10.679 1.00 0.00 N ATOM 436 CA ILE A 30 7.146 2.579 9.507 1.00 0.00 C ATOM 437 C ILE A 30 7.404 4.074 9.350 1.00 0.00 C ATOM 438 O ILE A 30 7.458 4.812 10.334 1.00 0.00 O ATOM 439 CB ILE A 30 5.627 2.338 9.584 1.00 0.00 C ATOM 440 CG1 ILE A 30 5.338 0.882 9.959 1.00 0.00 C ATOM 441 CG2 ILE A 30 4.967 2.689 8.258 1.00 0.00 C ATOM 442 CD1 ILE A 30 5.675 -0.103 8.862 1.00 0.00 C ATOM 0 H ILE A 30 7.563 2.489 11.559 1.00 0.00 H new ATOM 0 HA ILE A 30 7.546 2.050 8.642 1.00 0.00 H new ATOM 0 HB ILE A 30 5.210 2.983 10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.906 0.626 10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.283 0.783 10.213 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.894 2.513 8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.149 3.739 8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.386 2.066 7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.445 -1.114 9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.087 0.127 7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.736 -0.033 8.623 1.00 0.00 H new ATOM 454 N TYR A 31 7.560 4.515 8.107 1.00 0.00 N ATOM 455 CA TYR A 31 7.813 5.922 7.820 1.00 0.00 C ATOM 456 C TYR A 31 7.182 6.329 6.492 1.00 0.00 C ATOM 457 O TYR A 31 7.242 5.589 5.510 1.00 0.00 O ATOM 458 CB TYR A 31 9.318 6.195 7.789 1.00 0.00 C ATOM 459 CG TYR A 31 9.986 5.753 6.506 1.00 0.00 C ATOM 460 CD1 TYR A 31 9.805 6.463 5.325 1.00 0.00 C ATOM 461 CD2 TYR A 31 10.798 4.626 6.475 1.00 0.00 C ATOM 462 CE1 TYR A 31 10.414 6.063 4.151 1.00 0.00 C ATOM 463 CE2 TYR A 31 11.411 4.220 5.306 1.00 0.00 C ATOM 464 CZ TYR A 31 11.216 4.941 4.147 1.00 0.00 C ATOM 465 OH TYR A 31 11.824 4.538 2.980 1.00 0.00 O ATOM 0 H TYR A 31 7.516 3.918 7.281 1.00 0.00 H new ATOM 0 HA TYR A 31 7.360 6.516 8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.488 7.263 7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.789 5.684 8.629 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.178 7.342 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.952 4.058 7.380 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.263 6.626 3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.040 3.342 5.300 1.00 0.00 H new ATOM 0 HH TYR A 31 12.355 3.732 3.149 1.00 0.00 H new ATOM 475 N CYS A 32 6.579 7.513 6.470 1.00 0.00 N ATOM 476 CA CYS A 32 5.936 8.021 5.264 1.00 0.00 C ATOM 477 C CYS A 32 6.960 8.667 4.334 1.00 0.00 C ATOM 478 O CYS A 32 7.594 9.662 4.687 1.00 0.00 O ATOM 479 CB CYS A 32 4.851 9.036 5.629 1.00 0.00 C ATOM 480 SG CYS A 32 4.048 9.815 4.191 1.00 0.00 S ATOM 0 H CYS A 32 6.522 8.139 7.274 1.00 0.00 H new ATOM 0 HA CYS A 32 5.477 7.180 4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.091 8.538 6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.291 9.815 6.252 1.00 0.00 H new ATOM 485 N ARG A 33 7.114 8.095 3.145 1.00 0.00 N ATOM 486 CA ARG A 33 8.060 8.613 2.164 1.00 0.00 C ATOM 487 C ARG A 33 7.575 9.941 1.590 1.00 0.00 C ATOM 488 O ARG A 33 8.347 10.893 1.464 1.00 0.00 O ATOM 489 CB ARG A 33 8.264 7.601 1.035 1.00 0.00 C ATOM 490 CG ARG A 33 8.081 6.157 1.472 1.00 0.00 C ATOM 491 CD ARG A 33 8.910 5.208 0.620 1.00 0.00 C ATOM 492 NE ARG A 33 8.315 3.877 0.546 1.00 0.00 N ATOM 493 CZ ARG A 33 7.346 3.550 -0.302 1.00 0.00 C ATOM 494 NH1 ARG A 33 6.866 4.454 -1.145 1.00 0.00 N ATOM 495 NH2 ARG A 33 6.856 2.317 -0.309 1.00 0.00 N ATOM 0 H ARG A 33 6.596 7.272 2.837 1.00 0.00 H new ATOM 0 HA ARG A 33 9.012 8.780 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.562 7.820 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.267 7.724 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.368 6.053 2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.028 5.885 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.010 5.617 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.915 5.133 1.035 1.00 0.00 H new ATOM 0 HE ARG A 33 8.663 3.158 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.241 5.403 -1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.122 4.201 -1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.223 1.619 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.112 2.068 -0.961 1.00 0.00 H new ATOM 509 N ILE A 34 6.294 9.998 1.245 1.00 0.00 N ATOM 510 CA ILE A 34 5.706 11.209 0.685 1.00 0.00 C ATOM 511 C ILE A 34 6.247 12.454 1.380 1.00 0.00 C ATOM 512 O ILE A 34 6.943 13.266 0.769 1.00 0.00 O ATOM 513 CB ILE A 34 4.171 11.196 0.802 1.00 0.00 C ATOM 514 CG1 ILE A 34 3.596 9.954 0.117 1.00 0.00 C ATOM 515 CG2 ILE A 34 3.583 12.461 0.196 1.00 0.00 C ATOM 516 CD1 ILE A 34 2.088 9.865 0.195 1.00 0.00 C ATOM 0 H ILE A 34 5.642 9.219 1.343 1.00 0.00 H new ATOM 0 HA ILE A 34 5.981 11.235 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 34 3.902 11.163 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.898 9.954 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.029 9.064 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.497 12.437 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.972 13.332 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.858 12.522 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.750 8.961 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.779 9.833 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.647 10.737 -0.288 1.00 0.00 H new ATOM 528 N CYS A 35 5.924 12.597 2.660 1.00 0.00 N ATOM 529 CA CYS A 35 6.378 13.742 3.440 1.00 0.00 C ATOM 530 C CYS A 35 7.732 13.459 4.086 1.00 0.00 C ATOM 531 O CYS A 35 8.328 14.335 4.711 1.00 0.00 O ATOM 532 CB CYS A 35 5.350 14.091 4.519 1.00 0.00 C ATOM 533 SG CYS A 35 4.953 12.712 5.641 1.00 0.00 S ATOM 0 H CYS A 35 5.349 11.934 3.180 1.00 0.00 H new ATOM 0 HA CYS A 35 6.488 14.589 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.727 14.927 5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.433 14.428 4.036 1.00 0.00 H new ATOM 538 N MET A 36 8.210 12.229 3.928 1.00 0.00 N ATOM 539 CA MET A 36 9.494 11.830 4.494 1.00 0.00 C ATOM 540 C MET A 36 9.490 11.981 6.011 1.00 0.00 C ATOM 541 O MET A 36 10.377 12.613 6.584 1.00 0.00 O ATOM 542 CB MET A 36 10.624 12.667 3.889 1.00 0.00 C ATOM 543 CG MET A 36 11.950 11.929 3.810 1.00 0.00 C ATOM 544 SD MET A 36 12.794 11.845 5.402 1.00 0.00 S ATOM 545 CE MET A 36 12.177 10.285 6.030 1.00 0.00 C ATOM 0 H MET A 36 7.728 11.492 3.413 1.00 0.00 H new ATOM 0 HA MET A 36 9.659 10.780 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.334 12.985 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.755 13.570 4.485 1.00 0.00 H new ATOM 0 HG2 MET A 36 11.777 10.918 3.441 1.00 0.00 H new ATOM 0 HG3 MET A 36 12.596 12.427 3.087 1.00 0.00 H new ATOM 0 HE1 MET A 36 11.680 10.449 6.986 1.00 0.00 H new ATOM 0 HE2 MET A 36 11.467 9.862 5.319 1.00 0.00 H new ATOM 0 HE3 MET A 36 13.008 9.594 6.167 1.00 0.00 H new ATOM 555 N ALA A 37 8.485 11.397 6.657 1.00 0.00 N ATOM 556 CA ALA A 37 8.367 11.466 8.108 1.00 0.00 C ATOM 557 C ALA A 37 8.259 10.072 8.717 1.00 0.00 C ATOM 558 O ALA A 37 7.747 9.148 8.085 1.00 0.00 O ATOM 559 CB ALA A 37 7.164 12.311 8.500 1.00 0.00 C ATOM 0 H ALA A 37 7.741 10.871 6.198 1.00 0.00 H new ATOM 0 HA ALA A 37 9.269 11.935 8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.088 12.354 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.283 13.320 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.257 11.866 8.090 1.00 0.00 H new ATOM 565 N GLN A 38 8.743 9.929 9.946 1.00 0.00 N ATOM 566 CA GLN A 38 8.701 8.646 10.638 1.00 0.00 C ATOM 567 C GLN A 38 7.369 8.459 11.357 1.00 0.00 C ATOM 568 O GLN A 38 6.796 9.415 11.881 1.00 0.00 O ATOM 569 CB GLN A 38 9.853 8.545 11.640 1.00 0.00 C ATOM 570 CG GLN A 38 9.651 9.391 12.887 1.00 0.00 C ATOM 571 CD GLN A 38 10.172 10.805 12.724 1.00 0.00 C ATOM 572 OE1 GLN A 38 10.329 11.296 11.606 1.00 0.00 O ATOM 573 NE2 GLN A 38 10.444 11.468 13.842 1.00 0.00 N ATOM 0 H GLN A 38 9.168 10.685 10.483 1.00 0.00 H new ATOM 0 HA GLN A 38 8.806 7.857 9.894 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.977 7.503 11.934 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.778 8.850 11.150 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.589 9.425 13.130 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.156 8.917 13.729 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.299 11.022 14.748 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.798 12.423 13.795 1.00 0.00 H new ATOM 582 N ILE A 39 6.882 7.223 11.377 1.00 0.00 N ATOM 583 CA ILE A 39 5.618 6.911 12.032 1.00 0.00 C ATOM 584 C ILE A 39 5.741 5.663 12.900 1.00 0.00 C ATOM 585 O ILE A 39 6.426 4.708 12.536 1.00 0.00 O ATOM 586 CB ILE A 39 4.489 6.700 11.006 1.00 0.00 C ATOM 587 CG1 ILE A 39 4.162 8.016 10.297 1.00 0.00 C ATOM 588 CG2 ILE A 39 3.251 6.138 11.689 1.00 0.00 C ATOM 589 CD1 ILE A 39 3.682 7.832 8.874 1.00 0.00 C ATOM 0 H ILE A 39 7.344 6.421 10.947 1.00 0.00 H new ATOM 0 HA ILE A 39 5.370 7.765 12.662 1.00 0.00 H new ATOM 0 HB ILE A 39 4.826 5.981 10.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.396 8.545 10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.050 8.648 10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.462 5.994 10.951 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.493 5.181 12.152 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.910 6.835 12.454 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.469 8.806 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.455 7.331 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.776 7.226 8.871 1.00 0.00 H new ATOM 601 N ALA A 40 5.072 5.679 14.048 1.00 0.00 N ATOM 602 CA ALA A 40 5.103 4.547 14.966 1.00 0.00 C ATOM 603 C ALA A 40 4.023 3.528 14.618 1.00 0.00 C ATOM 604 O ALA A 40 2.881 3.892 14.337 1.00 0.00 O ATOM 605 CB ALA A 40 4.938 5.026 16.400 1.00 0.00 C ATOM 0 H ALA A 40 4.502 6.463 14.365 1.00 0.00 H new ATOM 0 HA ALA A 40 6.072 4.057 14.868 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.963 4.170 17.075 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.749 5.710 16.651 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.983 5.542 16.504 1.00 0.00 H new ATOM 611 N TYR A 41 4.392 2.252 14.638 1.00 0.00 N ATOM 612 CA TYR A 41 3.454 1.181 14.322 1.00 0.00 C ATOM 613 C TYR A 41 3.034 0.435 15.584 1.00 0.00 C ATOM 614 O TYR A 41 3.834 -0.271 16.198 1.00 0.00 O ATOM 615 CB TYR A 41 4.081 0.205 13.324 1.00 0.00 C ATOM 616 CG TYR A 41 3.132 -0.876 12.858 1.00 0.00 C ATOM 617 CD1 TYR A 41 2.122 -0.594 11.946 1.00 0.00 C ATOM 618 CD2 TYR A 41 3.245 -2.178 13.329 1.00 0.00 C ATOM 619 CE1 TYR A 41 1.252 -1.578 11.517 1.00 0.00 C ATOM 620 CE2 TYR A 41 2.381 -3.169 12.904 1.00 0.00 C ATOM 621 CZ TYR A 41 1.386 -2.864 11.999 1.00 0.00 C ATOM 622 OH TYR A 41 0.522 -3.848 11.575 1.00 0.00 O ATOM 0 H TYR A 41 5.333 1.934 14.869 1.00 0.00 H new ATOM 0 HA TYR A 41 2.567 1.629 13.875 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.437 0.763 12.458 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.953 -0.261 13.783 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.015 0.411 11.566 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.022 -2.420 14.040 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.472 -1.342 10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.484 -4.177 13.278 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.247 -3.891 12.181 1.00 0.00 H new ATOM 632 N SER A 42 1.771 0.596 15.966 1.00 0.00 N ATOM 633 CA SER A 42 1.242 -0.059 17.157 1.00 0.00 C ATOM 634 C SER A 42 -0.102 -0.718 16.863 1.00 0.00 C ATOM 635 O SER A 42 -1.139 -0.056 16.838 1.00 0.00 O ATOM 636 CB SER A 42 1.090 0.951 18.295 1.00 0.00 C ATOM 637 OG SER A 42 0.862 0.297 19.531 1.00 0.00 O ATOM 0 H SER A 42 1.095 1.175 15.468 1.00 0.00 H new ATOM 0 HA SER A 42 1.947 -0.833 17.460 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.989 1.563 18.364 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.261 1.625 18.079 1.00 0.00 H new ATOM 0 HG SER A 42 0.770 0.965 20.242 1.00 0.00 H new ATOM 643 N GLY A 43 -0.076 -2.029 16.640 1.00 0.00 N ATOM 644 CA GLY A 43 -1.297 -2.757 16.351 1.00 0.00 C ATOM 645 C GLY A 43 -1.575 -2.855 14.864 1.00 0.00 C ATOM 646 O GLY A 43 -0.687 -2.628 14.044 1.00 0.00 O ATOM 0 H GLY A 43 0.769 -2.599 16.655 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.226 -3.760 16.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.136 -2.264 16.843 1.00 0.00 H new ATOM 650 N ASN A 44 -2.812 -3.196 14.516 1.00 0.00 N ATOM 651 CA ASN A 44 -3.204 -3.326 13.117 1.00 0.00 C ATOM 652 C ASN A 44 -2.774 -2.101 12.316 1.00 0.00 C ATOM 653 O ASN A 44 -2.199 -1.158 12.861 1.00 0.00 O ATOM 654 CB ASN A 44 -4.718 -3.517 13.006 1.00 0.00 C ATOM 655 CG ASN A 44 -5.473 -2.204 13.080 1.00 0.00 C ATOM 656 OD1 ASN A 44 -5.833 -1.624 12.055 1.00 0.00 O ATOM 657 ND2 ASN A 44 -5.717 -1.729 14.296 1.00 0.00 N ATOM 0 H ASN A 44 -3.560 -3.387 15.183 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.703 -4.202 12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.951 -4.014 12.064 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.058 -4.174 13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.222 -0.850 14.408 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.400 -2.244 15.118 1.00 0.00 H new ATOM 664 N THR A 45 -3.058 -2.121 11.017 1.00 0.00 N ATOM 665 CA THR A 45 -2.701 -1.013 10.140 1.00 0.00 C ATOM 666 C THR A 45 -3.767 0.077 10.169 1.00 0.00 C ATOM 667 O THR A 45 -4.151 0.611 9.129 1.00 0.00 O ATOM 668 CB THR A 45 -2.508 -1.487 8.687 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.745 -1.981 8.164 1.00 0.00 O ATOM 670 CG2 THR A 45 -1.447 -2.575 8.610 1.00 0.00 C ATOM 0 H THR A 45 -3.534 -2.892 10.550 1.00 0.00 H new ATOM 0 HA THR A 45 -1.760 -0.607 10.511 1.00 0.00 H new ATOM 0 HB THR A 45 -2.177 -0.636 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.614 -2.279 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.328 -2.894 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.499 -2.186 8.981 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.753 -3.426 9.219 1.00 0.00 H new ATOM 678 N SER A 46 -4.241 0.403 11.368 1.00 0.00 N ATOM 679 CA SER A 46 -5.265 1.428 11.532 1.00 0.00 C ATOM 680 C SER A 46 -4.649 2.823 11.490 1.00 0.00 C ATOM 681 O SER A 46 -5.140 3.709 10.792 1.00 0.00 O ATOM 682 CB SER A 46 -6.010 1.227 12.853 1.00 0.00 C ATOM 683 OG SER A 46 -6.816 2.351 13.160 1.00 0.00 O ATOM 0 H SER A 46 -3.932 -0.028 12.239 1.00 0.00 H new ATOM 0 HA SER A 46 -5.971 1.337 10.707 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.633 0.335 12.791 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.293 1.059 13.657 1.00 0.00 H new ATOM 0 HG SER A 46 -7.283 2.197 14.008 1.00 0.00 H new ATOM 689 N ASN A 47 -3.569 3.009 12.242 1.00 0.00 N ATOM 690 CA ASN A 47 -2.885 4.296 12.292 1.00 0.00 C ATOM 691 C ASN A 47 -2.375 4.695 10.911 1.00 0.00 C ATOM 692 O ASN A 47 -2.462 5.859 10.517 1.00 0.00 O ATOM 693 CB ASN A 47 -1.720 4.240 13.282 1.00 0.00 C ATOM 694 CG ASN A 47 -2.151 4.553 14.702 1.00 0.00 C ATOM 695 OD1 ASN A 47 -2.420 3.650 15.494 1.00 0.00 O ATOM 696 ND2 ASN A 47 -2.220 5.838 15.029 1.00 0.00 N ATOM 0 H ASN A 47 -3.149 2.285 12.825 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.601 5.047 12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.269 3.248 13.253 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.951 4.949 12.974 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.505 6.110 15.970 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.988 6.553 14.340 1.00 0.00 H new ATOM 703 N LEU A 48 -1.843 3.722 10.179 1.00 0.00 N ATOM 704 CA LEU A 48 -1.319 3.971 8.840 1.00 0.00 C ATOM 705 C LEU A 48 -2.234 4.912 8.064 1.00 0.00 C ATOM 706 O LEU A 48 -1.817 5.991 7.642 1.00 0.00 O ATOM 707 CB LEU A 48 -1.161 2.653 8.080 1.00 0.00 C ATOM 708 CG LEU A 48 0.192 1.955 8.221 1.00 0.00 C ATOM 709 CD1 LEU A 48 1.322 2.903 7.853 1.00 0.00 C ATOM 710 CD2 LEU A 48 0.376 1.428 9.637 1.00 0.00 C ATOM 0 H LEU A 48 -1.763 2.754 10.490 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.342 4.445 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.938 1.967 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.341 2.843 7.022 1.00 0.00 H new ATOM 0 HG LEU A 48 0.216 1.109 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.277 2.389 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.200 3.232 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.300 3.769 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.344 0.934 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.331 2.258 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.415 0.714 9.865 1.00 0.00 H new ATOM 722 N SER A 49 -3.484 4.498 7.881 1.00 0.00 N ATOM 723 CA SER A 49 -4.458 5.303 7.153 1.00 0.00 C ATOM 724 C SER A 49 -4.664 6.653 7.835 1.00 0.00 C ATOM 725 O SER A 49 -4.583 7.702 7.197 1.00 0.00 O ATOM 726 CB SER A 49 -5.791 4.561 7.052 1.00 0.00 C ATOM 727 OG SER A 49 -6.330 4.302 8.337 1.00 0.00 O ATOM 0 H SER A 49 -3.846 3.609 8.227 1.00 0.00 H new ATOM 0 HA SER A 49 -4.071 5.477 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.497 5.154 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.648 3.621 6.518 1.00 0.00 H new ATOM 0 HG SER A 49 -5.612 4.020 8.942 1.00 0.00 H new ATOM 733 N TYR A 50 -4.931 6.616 9.136 1.00 0.00 N ATOM 734 CA TYR A 50 -5.152 7.835 9.905 1.00 0.00 C ATOM 735 C TYR A 50 -4.120 8.900 9.547 1.00 0.00 C ATOM 736 O TYR A 50 -4.465 10.052 9.285 1.00 0.00 O ATOM 737 CB TYR A 50 -5.092 7.534 11.404 1.00 0.00 C ATOM 738 CG TYR A 50 -4.723 8.734 12.248 1.00 0.00 C ATOM 739 CD1 TYR A 50 -3.405 9.162 12.343 1.00 0.00 C ATOM 740 CD2 TYR A 50 -5.693 9.438 12.950 1.00 0.00 C ATOM 741 CE1 TYR A 50 -3.063 10.257 13.113 1.00 0.00 C ATOM 742 CE2 TYR A 50 -5.361 10.535 13.721 1.00 0.00 C ATOM 743 CZ TYR A 50 -4.044 10.940 13.800 1.00 0.00 C ATOM 744 OH TYR A 50 -3.709 12.031 14.568 1.00 0.00 O ATOM 0 H TYR A 50 -5.000 5.756 9.680 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.142 8.217 9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.061 7.156 11.729 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.365 6.740 11.578 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.634 8.630 11.806 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.724 9.122 12.892 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.033 10.576 13.176 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.128 11.073 14.259 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.924 12.473 14.183 1.00 0.00 H new ATOM 754 N HIS A 51 -2.851 8.505 9.537 1.00 0.00 N ATOM 755 CA HIS A 51 -1.767 9.424 9.210 1.00 0.00 C ATOM 756 C HIS A 51 -2.113 10.255 7.978 1.00 0.00 C ATOM 757 O HIS A 51 -1.832 11.454 7.926 1.00 0.00 O ATOM 758 CB HIS A 51 -0.469 8.652 8.971 1.00 0.00 C ATOM 759 CG HIS A 51 0.570 9.440 8.235 1.00 0.00 C ATOM 760 ND1 HIS A 51 1.694 9.958 8.844 1.00 0.00 N ATOM 761 CD2 HIS A 51 0.653 9.797 6.932 1.00 0.00 C ATOM 762 CE1 HIS A 51 2.421 10.600 7.948 1.00 0.00 C ATOM 763 NE2 HIS A 51 1.812 10.517 6.779 1.00 0.00 N ATOM 0 H HIS A 51 -2.548 7.555 9.752 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.629 10.099 10.055 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.061 8.337 9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.693 7.746 8.407 1.00 0.00 H new ATOM 0 HD1 HIS A 51 1.927 9.860 9.832 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.060 9.560 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.355 11.107 8.139 1.00 0.00 H new ATOM 771 N LEU A 52 -2.722 9.612 6.989 1.00 0.00 N ATOM 772 CA LEU A 52 -3.106 10.291 5.756 1.00 0.00 C ATOM 773 C LEU A 52 -4.405 11.069 5.944 1.00 0.00 C ATOM 774 O LEU A 52 -4.481 12.254 5.624 1.00 0.00 O ATOM 775 CB LEU A 52 -3.264 9.279 4.620 1.00 0.00 C ATOM 776 CG LEU A 52 -2.133 8.261 4.466 1.00 0.00 C ATOM 777 CD1 LEU A 52 -2.666 6.953 3.901 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.032 8.819 3.577 1.00 0.00 C ATOM 0 H LEU A 52 -2.961 8.621 7.016 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.316 10.996 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.197 8.736 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.363 9.827 3.683 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.711 8.062 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.847 6.241 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.419 6.545 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.114 7.134 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.235 8.082 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.440 9.047 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.631 9.729 4.023 1.00 0.00 H new ATOM 790 N GLU A 53 -5.422 10.393 6.468 1.00 0.00 N ATOM 791 CA GLU A 53 -6.717 11.022 6.700 1.00 0.00 C ATOM 792 C GLU A 53 -6.555 12.339 7.453 1.00 0.00 C ATOM 793 O GLU A 53 -7.408 13.224 7.370 1.00 0.00 O ATOM 794 CB GLU A 53 -7.632 10.081 7.487 1.00 0.00 C ATOM 795 CG GLU A 53 -7.625 10.336 8.984 1.00 0.00 C ATOM 796 CD GLU A 53 -8.641 9.489 9.726 1.00 0.00 C ATOM 797 OE1 GLU A 53 -8.459 8.254 9.775 1.00 0.00 O ATOM 798 OE2 GLU A 53 -9.616 10.060 10.256 1.00 0.00 O ATOM 0 H GLU A 53 -5.375 9.411 6.740 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.170 11.231 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.651 10.183 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.327 9.051 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.630 10.132 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.831 11.390 9.170 1.00 0.00 H new ATOM 805 N LYS A 54 -5.455 12.462 8.188 1.00 0.00 N ATOM 806 CA LYS A 54 -5.179 13.670 8.956 1.00 0.00 C ATOM 807 C LYS A 54 -4.194 14.571 8.218 1.00 0.00 C ATOM 808 O LYS A 54 -4.293 15.795 8.278 1.00 0.00 O ATOM 809 CB LYS A 54 -4.620 13.307 10.333 1.00 0.00 C ATOM 810 CG LYS A 54 -5.654 12.704 11.269 1.00 0.00 C ATOM 811 CD LYS A 54 -6.561 13.770 11.859 1.00 0.00 C ATOM 812 CE LYS A 54 -5.968 14.369 13.126 1.00 0.00 C ATOM 813 NZ LYS A 54 -6.796 15.490 13.649 1.00 0.00 N ATOM 0 H LYS A 54 -4.740 11.739 8.268 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.116 14.212 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.799 12.601 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.203 14.202 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.254 11.973 10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.150 12.168 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.723 14.558 11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.536 13.337 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.882 13.595 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.959 14.727 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.359 15.871 14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.857 16.240 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.751 15.143 13.869 1.00 0.00 H new ATOM 827 N ASN A 55 -3.244 13.955 7.520 1.00 0.00 N ATOM 828 CA ASN A 55 -2.242 14.702 6.769 1.00 0.00 C ATOM 829 C ASN A 55 -2.621 14.790 5.294 1.00 0.00 C ATOM 830 O ASN A 55 -2.978 15.859 4.797 1.00 0.00 O ATOM 831 CB ASN A 55 -0.869 14.042 6.916 1.00 0.00 C ATOM 832 CG ASN A 55 -0.334 14.129 8.332 1.00 0.00 C ATOM 833 OD1 ASN A 55 -0.486 15.149 9.004 1.00 0.00 O ATOM 834 ND2 ASN A 55 0.297 13.055 8.792 1.00 0.00 N ATOM 0 H ASN A 55 -3.148 12.941 7.459 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.198 15.713 7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.939 12.995 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.165 14.519 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.679 13.054 9.738 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.400 12.231 8.200 1.00 0.00 H new ATOM 841 N HIS A 56 -2.542 13.660 4.600 1.00 0.00 N ATOM 842 CA HIS A 56 -2.879 13.609 3.181 1.00 0.00 C ATOM 843 C HIS A 56 -4.329 13.179 2.982 1.00 0.00 C ATOM 844 O HIS A 56 -4.682 12.010 3.136 1.00 0.00 O ATOM 845 CB HIS A 56 -1.944 12.646 2.448 1.00 0.00 C ATOM 846 CG HIS A 56 -0.495 12.867 2.757 1.00 0.00 C ATOM 847 ND1 HIS A 56 0.295 13.756 2.061 1.00 0.00 N ATOM 848 CD2 HIS A 56 0.305 12.308 3.694 1.00 0.00 C ATOM 849 CE1 HIS A 56 1.520 13.734 2.556 1.00 0.00 C ATOM 850 NE2 HIS A 56 1.553 12.864 3.548 1.00 0.00 N ATOM 0 H HIS A 56 -2.248 12.767 4.996 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.755 14.610 2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.211 11.622 2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.098 12.750 1.374 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.017 14.340 1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.016 11.563 4.421 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.353 14.327 2.208 1.00 0.00 H new ATOM 858 N PRO A 57 -5.191 14.145 2.631 1.00 0.00 N ATOM 859 CA PRO A 57 -6.616 13.891 2.404 1.00 0.00 C ATOM 860 C PRO A 57 -6.865 13.075 1.140 1.00 0.00 C ATOM 861 O PRO A 57 -7.572 12.069 1.169 1.00 0.00 O ATOM 862 CB PRO A 57 -7.209 15.295 2.260 1.00 0.00 C ATOM 863 CG PRO A 57 -6.073 16.139 1.794 1.00 0.00 C ATOM 864 CD PRO A 57 -4.839 15.561 2.430 1.00 0.00 C ATOM 0 HA PRO A 57 -7.059 13.307 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.031 15.306 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.608 15.656 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.996 16.123 0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.213 17.179 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.966 15.671 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.604 16.055 3.373 1.00 0.00 H new ATOM 872 N GLU A 58 -6.279 13.517 0.031 1.00 0.00 N ATOM 873 CA GLU A 58 -6.438 12.827 -1.244 1.00 0.00 C ATOM 874 C GLU A 58 -5.910 11.398 -1.158 1.00 0.00 C ATOM 875 O GLU A 58 -6.568 10.455 -1.596 1.00 0.00 O ATOM 876 CB GLU A 58 -5.710 13.586 -2.355 1.00 0.00 C ATOM 877 CG GLU A 58 -4.233 13.804 -2.076 1.00 0.00 C ATOM 878 CD GLU A 58 -3.521 14.508 -3.215 1.00 0.00 C ATOM 879 OE1 GLU A 58 -4.070 15.504 -3.731 1.00 0.00 O ATOM 880 OE2 GLU A 58 -2.417 14.062 -3.591 1.00 0.00 O ATOM 0 H GLU A 58 -5.690 14.349 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.502 12.790 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.817 13.036 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.191 14.554 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.122 14.392 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.756 12.841 -1.894 1.00 0.00 H new ATOM 887 N GLU A 59 -4.716 11.247 -0.592 1.00 0.00 N ATOM 888 CA GLU A 59 -4.099 9.934 -0.451 1.00 0.00 C ATOM 889 C GLU A 59 -4.986 9.000 0.367 1.00 0.00 C ATOM 890 O GLU A 59 -5.155 7.829 0.027 1.00 0.00 O ATOM 891 CB GLU A 59 -2.725 10.060 0.211 1.00 0.00 C ATOM 892 CG GLU A 59 -1.709 10.810 -0.633 1.00 0.00 C ATOM 893 CD GLU A 59 -1.509 10.183 -2.000 1.00 0.00 C ATOM 894 OE1 GLU A 59 -2.408 10.324 -2.855 1.00 0.00 O ATOM 895 OE2 GLU A 59 -0.453 9.552 -2.213 1.00 0.00 O ATOM 0 H GLU A 59 -4.158 12.017 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.977 9.510 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.837 10.570 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.341 9.062 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.035 11.843 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.755 10.838 -0.107 1.00 0.00 H new ATOM 902 N PHE A 60 -5.551 9.528 1.448 1.00 0.00 N ATOM 903 CA PHE A 60 -6.421 8.742 2.316 1.00 0.00 C ATOM 904 C PHE A 60 -7.697 8.337 1.585 1.00 0.00 C ATOM 905 O PHE A 60 -7.957 7.150 1.379 1.00 0.00 O ATOM 906 CB PHE A 60 -6.772 9.537 3.576 1.00 0.00 C ATOM 907 CG PHE A 60 -7.923 8.960 4.348 1.00 0.00 C ATOM 908 CD1 PHE A 60 -7.906 7.635 4.755 1.00 0.00 C ATOM 909 CD2 PHE A 60 -9.022 9.741 4.667 1.00 0.00 C ATOM 910 CE1 PHE A 60 -8.964 7.101 5.465 1.00 0.00 C ATOM 911 CE2 PHE A 60 -10.084 9.212 5.377 1.00 0.00 C ATOM 912 CZ PHE A 60 -10.054 7.890 5.778 1.00 0.00 C ATOM 0 H PHE A 60 -5.422 10.496 1.744 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.885 7.837 2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.896 9.581 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.012 10.562 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.056 7.013 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.049 10.775 4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.939 6.067 5.775 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.936 9.831 5.618 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.881 7.474 6.335 1.00 0.00 H new ATOM 922 N CYS A 61 -8.490 9.329 1.196 1.00 0.00 N ATOM 923 CA CYS A 61 -9.740 9.076 0.489 1.00 0.00 C ATOM 924 C CYS A 61 -9.542 8.042 -0.613 1.00 0.00 C ATOM 925 O CYS A 61 -10.260 7.045 -0.678 1.00 0.00 O ATOM 926 CB CYS A 61 -10.285 10.376 -0.106 1.00 0.00 C ATOM 927 SG CYS A 61 -12.063 10.349 -0.434 1.00 0.00 S ATOM 0 H CYS A 61 -8.290 10.316 1.358 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.461 8.682 1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.065 11.196 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.758 10.586 -1.037 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.430 11.492 -0.933 1.00 0.00 H new ATOM 933 N GLU A 62 -8.563 8.287 -1.479 1.00 0.00 N ATOM 934 CA GLU A 62 -8.273 7.377 -2.581 1.00 0.00 C ATOM 935 C GLU A 62 -8.078 5.951 -2.072 1.00 0.00 C ATOM 936 O GLU A 62 -8.445 4.986 -2.742 1.00 0.00 O ATOM 937 CB GLU A 62 -7.024 7.836 -3.336 1.00 0.00 C ATOM 938 CG GLU A 62 -7.231 9.110 -4.138 1.00 0.00 C ATOM 939 CD GLU A 62 -8.082 8.888 -5.374 1.00 0.00 C ATOM 940 OE1 GLU A 62 -8.101 7.748 -5.884 1.00 0.00 O ATOM 941 OE2 GLU A 62 -8.727 9.854 -5.832 1.00 0.00 O ATOM 0 H GLU A 62 -7.958 9.107 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.124 7.388 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.216 7.994 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.704 7.041 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.704 9.861 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.261 9.509 -4.436 1.00 0.00 H new ATOM 948 N PHE A 63 -7.497 5.828 -0.883 1.00 0.00 N ATOM 949 CA PHE A 63 -7.251 4.522 -0.284 1.00 0.00 C ATOM 950 C PHE A 63 -8.546 3.914 0.245 1.00 0.00 C ATOM 951 O PHE A 63 -8.623 2.711 0.497 1.00 0.00 O ATOM 952 CB PHE A 63 -6.230 4.641 0.849 1.00 0.00 C ATOM 953 CG PHE A 63 -6.383 3.586 1.907 1.00 0.00 C ATOM 954 CD1 PHE A 63 -7.224 3.790 2.990 1.00 0.00 C ATOM 955 CD2 PHE A 63 -5.686 2.392 1.821 1.00 0.00 C ATOM 956 CE1 PHE A 63 -7.368 2.821 3.965 1.00 0.00 C ATOM 957 CE2 PHE A 63 -5.826 1.420 2.793 1.00 0.00 C ATOM 958 CZ PHE A 63 -6.667 1.635 3.867 1.00 0.00 C ATOM 0 H PHE A 63 -7.188 6.617 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.851 3.865 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.226 4.581 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.325 5.624 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.773 4.716 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.025 2.219 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.028 2.991 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.278 0.493 2.713 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.776 0.877 4.629 1.00 0.00 H new ATOM 968 N VAL A 64 -9.563 4.754 0.412 1.00 0.00 N ATOM 969 CA VAL A 64 -10.855 4.301 0.911 1.00 0.00 C ATOM 970 C VAL A 64 -11.973 4.641 -0.068 1.00 0.00 C ATOM 971 O VAL A 64 -12.538 5.734 -0.028 1.00 0.00 O ATOM 972 CB VAL A 64 -11.180 4.927 2.280 1.00 0.00 C ATOM 973 CG1 VAL A 64 -10.884 6.419 2.268 1.00 0.00 C ATOM 974 CG2 VAL A 64 -12.631 4.666 2.655 1.00 0.00 C ATOM 0 H VAL A 64 -9.516 5.752 0.209 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.788 3.219 1.021 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.545 4.460 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.120 6.845 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.829 6.579 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.492 6.904 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.843 5.116 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.286 5.104 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.806 3.591 2.707 1.00 0.00 H new ATOM 984 N LYS A 65 -12.287 3.697 -0.949 1.00 0.00 N ATOM 985 CA LYS A 65 -13.339 3.894 -1.940 1.00 0.00 C ATOM 986 C LYS A 65 -14.706 3.987 -1.271 1.00 0.00 C ATOM 987 O LYS A 65 -15.323 2.970 -0.952 1.00 0.00 O ATOM 988 CB LYS A 65 -13.333 2.749 -2.955 1.00 0.00 C ATOM 989 CG LYS A 65 -12.063 2.679 -3.786 1.00 0.00 C ATOM 990 CD LYS A 65 -12.201 3.462 -5.080 1.00 0.00 C ATOM 991 CE LYS A 65 -11.667 4.878 -4.934 1.00 0.00 C ATOM 992 NZ LYS A 65 -10.190 4.937 -5.121 1.00 0.00 N ATOM 0 H LYS A 65 -11.828 2.787 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.143 4.832 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.463 1.805 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.188 2.861 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.227 3.073 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.832 1.638 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.662 2.949 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.250 3.496 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.152 5.526 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.924 5.263 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.940 5.805 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.722 4.940 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.875 4.108 -5.664 1.00 0.00 H new ATOM 1006 N SER A 66 -15.175 5.213 -1.061 1.00 0.00 N ATOM 1007 CA SER A 66 -16.469 5.439 -0.428 1.00 0.00 C ATOM 1008 C SER A 66 -17.465 6.030 -1.421 1.00 0.00 C ATOM 1009 O SER A 66 -17.104 6.381 -2.544 1.00 0.00 O ATOM 1010 CB SER A 66 -16.316 6.372 0.775 1.00 0.00 C ATOM 1011 OG SER A 66 -15.676 7.581 0.405 1.00 0.00 O ATOM 0 H SER A 66 -14.678 6.065 -1.320 1.00 0.00 H new ATOM 0 HA SER A 66 -16.851 4.477 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.297 6.591 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.738 5.874 1.554 1.00 0.00 H new ATOM 0 HG SER A 66 -15.592 8.160 1.191 1.00 0.00 H new ATOM 1017 N ASN A 67 -18.720 6.138 -0.998 1.00 0.00 N ATOM 1018 CA ASN A 67 -19.769 6.686 -1.850 1.00 0.00 C ATOM 1019 C ASN A 67 -20.057 8.141 -1.490 1.00 0.00 C ATOM 1020 O ASN A 67 -20.364 8.457 -0.341 1.00 0.00 O ATOM 1021 CB ASN A 67 -21.047 5.854 -1.721 1.00 0.00 C ATOM 1022 CG ASN A 67 -22.098 6.246 -2.742 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -22.311 5.545 -3.730 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -22.760 7.373 -2.506 1.00 0.00 N ATOM 0 H ASN A 67 -19.035 5.853 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 67 -19.421 6.647 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -20.804 4.798 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -21.456 5.975 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -23.478 7.688 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -22.550 7.923 -1.673 1.00 0.00 H new ATOM 1031 N SER A 68 -19.958 9.021 -2.481 1.00 0.00 N ATOM 1032 CA SER A 68 -20.204 10.442 -2.269 1.00 0.00 C ATOM 1033 C SER A 68 -21.611 10.674 -1.727 1.00 0.00 C ATOM 1034 O SER A 68 -22.545 9.945 -2.059 1.00 0.00 O ATOM 1035 CB SER A 68 -20.015 11.215 -3.576 1.00 0.00 C ATOM 1036 OG SER A 68 -18.731 10.980 -4.126 1.00 0.00 O ATOM 0 H SER A 68 -19.709 8.775 -3.439 1.00 0.00 H new ATOM 0 HA SER A 68 -19.485 10.804 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.781 10.917 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.146 12.282 -3.394 1.00 0.00 H new ATOM 0 HG SER A 68 -18.636 11.484 -4.961 1.00 0.00 H new ATOM 1042 N GLY A 69 -21.755 11.697 -0.889 1.00 0.00 N ATOM 1043 CA GLY A 69 -23.050 12.008 -0.313 1.00 0.00 C ATOM 1044 C GLY A 69 -23.885 12.899 -1.211 1.00 0.00 C ATOM 1045 O GLY A 69 -23.363 13.648 -2.036 1.00 0.00 O ATOM 0 H GLY A 69 -20.998 12.316 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -23.591 11.081 -0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -22.908 12.499 0.650 1.00 0.00 H new ATOM 1049 N PRO A 70 -25.215 12.821 -1.056 1.00 0.00 N ATOM 1050 CA PRO A 70 -26.152 13.620 -1.852 1.00 0.00 C ATOM 1051 C PRO A 70 -26.098 15.101 -1.497 1.00 0.00 C ATOM 1052 O PRO A 70 -26.819 15.915 -2.075 1.00 0.00 O ATOM 1053 CB PRO A 70 -27.518 13.032 -1.487 1.00 0.00 C ATOM 1054 CG PRO A 70 -27.326 12.442 -0.132 1.00 0.00 C ATOM 1055 CD PRO A 70 -25.906 11.950 -0.091 1.00 0.00 C ATOM 0 HA PRO A 70 -25.924 13.575 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -28.291 13.801 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -27.829 12.276 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -27.504 13.185 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -28.027 11.625 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -25.479 12.039 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -25.836 10.900 -0.376 1.00 0.00 H new ATOM 1063 N SER A 71 -25.239 15.446 -0.543 1.00 0.00 N ATOM 1064 CA SER A 71 -25.094 16.831 -0.109 1.00 0.00 C ATOM 1065 C SER A 71 -23.635 17.270 -0.174 1.00 0.00 C ATOM 1066 O SER A 71 -22.744 16.466 -0.452 1.00 0.00 O ATOM 1067 CB SER A 71 -25.625 16.999 1.316 1.00 0.00 C ATOM 1068 OG SER A 71 -25.785 18.369 1.643 1.00 0.00 O ATOM 0 H SER A 71 -24.633 14.786 -0.056 1.00 0.00 H new ATOM 0 HA SER A 71 -25.676 17.460 -0.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 -26.581 16.485 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 71 -24.938 16.532 2.021 1.00 0.00 H new ATOM 0 HG SER A 71 -26.127 18.449 2.558 1.00 0.00 H new ATOM 1074 N SER A 72 -23.397 18.553 0.083 1.00 0.00 N ATOM 1075 CA SER A 72 -22.047 19.102 0.049 1.00 0.00 C ATOM 1076 C SER A 72 -21.815 20.047 1.224 1.00 0.00 C ATOM 1077 O SER A 72 -22.760 20.597 1.788 1.00 0.00 O ATOM 1078 CB SER A 72 -21.806 19.840 -1.269 1.00 0.00 C ATOM 1079 OG SER A 72 -22.735 20.896 -1.439 1.00 0.00 O ATOM 0 H SER A 72 -24.122 19.231 0.317 1.00 0.00 H new ATOM 0 HA SER A 72 -21.343 18.274 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 72 -20.791 20.238 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.889 19.141 -2.101 1.00 0.00 H new ATOM 0 HG SER A 72 -22.559 21.353 -2.288 1.00 0.00 H new ATOM 1085 N GLY A 73 -20.550 20.231 1.588 1.00 0.00 N ATOM 1086 CA GLY A 73 -20.215 21.109 2.693 1.00 0.00 C ATOM 1087 C GLY A 73 -19.695 20.352 3.899 1.00 0.00 C ATOM 1088 O GLY A 73 -20.430 20.197 4.872 1.00 0.00 O ATOM 0 H GLY A 73 -19.750 19.787 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.463 21.827 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.098 21.680 2.980 1.00 0.00 H new TER 1092 GLY A 73 HETATM 1093 ZN ZN A 201 2.903 11.693 5.067 1.00 0.00 ZN