USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=21 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 42 SER OG : rot -92:sc= 1.13 USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.317 USER MOD Set 1.3: A 47 ASN : amide:sc= 0.968 K(o=1.8,f=-4.7!) 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 19:sc= 0.789 USER MOD Single : A 8 SER OG : rot -39:sc= 0.438 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 -115:sc= 0.584 USER MOD Single : A 18 THR OG1 : rot 140:sc= -0.141 USER MOD Single : A 19 ASN : amide:sc= -2.93! C(o=-2.9!,f=-16!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -165:sc= -0.0434 (180deg=-0.344) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot -100:sc= 1.13 USER MOD Single : A 44 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -150:sc= 0.234! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.98! K(o=-3!,f=-0.9) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -57:sc= 0.694 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 68 SER OG : rot -51:sc= 0.571 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.316 -17.662 6.521 1.00 0.00 N ATOM 2 CA GLY A 1 0.564 -17.657 7.762 1.00 0.00 C ATOM 3 C GLY A 1 0.179 -16.257 8.200 1.00 0.00 C ATOM 4 O GLY A 1 -0.975 -16.003 8.545 1.00 0.00 O ATOM 0 H1 GLY A 1 1.555 -18.641 6.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.742 -17.236 5.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.190 -17.112 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.338 -18.257 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.157 -18.129 8.545 1.00 0.00 H new ATOM 8 N SER A 2 1.148 -15.348 8.189 1.00 0.00 N ATOM 9 CA SER A 2 0.906 -13.968 8.594 1.00 0.00 C ATOM 10 C SER A 2 0.330 -13.156 7.438 1.00 0.00 C ATOM 11 O SER A 2 0.819 -13.226 6.311 1.00 0.00 O ATOM 12 CB SER A 2 2.204 -13.324 9.087 1.00 0.00 C ATOM 13 OG SER A 2 2.067 -11.918 9.192 1.00 0.00 O ATOM 0 H SER A 2 2.108 -15.542 7.904 1.00 0.00 H new ATOM 0 HA SER A 2 0.180 -13.976 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.474 -13.740 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.016 -13.563 8.400 1.00 0.00 H new ATOM 0 HG SER A 2 2.909 -11.530 9.510 1.00 0.00 H new ATOM 19 N SER A 3 -0.714 -12.385 7.728 1.00 0.00 N ATOM 20 CA SER A 3 -1.361 -11.562 6.713 1.00 0.00 C ATOM 21 C SER A 3 -0.330 -10.968 5.757 1.00 0.00 C ATOM 22 O SER A 3 0.736 -10.520 6.176 1.00 0.00 O ATOM 23 CB SER A 3 -2.166 -10.441 7.373 1.00 0.00 C ATOM 24 OG SER A 3 -3.174 -10.968 8.218 1.00 0.00 O ATOM 0 H SER A 3 -1.129 -12.313 8.657 1.00 0.00 H new ATOM 0 HA SER A 3 -2.037 -12.198 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.499 -9.802 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.621 -9.815 6.605 1.00 0.00 H new ATOM 0 HG SER A 3 -3.674 -10.232 8.630 1.00 0.00 H new ATOM 30 N GLY A 4 -0.658 -10.969 4.468 1.00 0.00 N ATOM 31 CA GLY A 4 0.249 -10.428 3.472 1.00 0.00 C ATOM 32 C GLY A 4 -0.481 -9.861 2.271 1.00 0.00 C ATOM 33 O GLY A 4 -1.335 -8.986 2.412 1.00 0.00 O ATOM 0 H GLY A 4 -1.535 -11.334 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.858 -9.646 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.931 -11.212 3.142 1.00 0.00 H new ATOM 37 N SER A 5 -0.144 -10.360 1.086 1.00 0.00 N ATOM 38 CA SER A 5 -0.770 -9.893 -0.146 1.00 0.00 C ATOM 39 C SER A 5 -2.235 -9.537 0.090 1.00 0.00 C ATOM 40 O SER A 5 -2.710 -8.491 -0.351 1.00 0.00 O ATOM 41 CB SER A 5 -0.662 -10.962 -1.235 1.00 0.00 C ATOM 42 OG SER A 5 0.689 -11.328 -1.457 1.00 0.00 O ATOM 0 H SER A 5 0.559 -11.087 0.953 1.00 0.00 H new ATOM 0 HA SER A 5 -0.245 -8.996 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.237 -11.841 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.098 -10.588 -2.161 1.00 0.00 H new ATOM 0 HG SER A 5 0.732 -12.014 -2.156 1.00 0.00 H new ATOM 48 N SER A 6 -2.945 -10.417 0.790 1.00 0.00 N ATOM 49 CA SER A 6 -4.357 -10.199 1.082 1.00 0.00 C ATOM 50 C SER A 6 -4.610 -8.751 1.491 1.00 0.00 C ATOM 51 O SER A 6 -4.075 -8.275 2.491 1.00 0.00 O ATOM 52 CB SER A 6 -4.822 -11.144 2.192 1.00 0.00 C ATOM 53 OG SER A 6 -4.290 -10.757 3.447 1.00 0.00 O ATOM 0 H SER A 6 -2.566 -11.287 1.165 1.00 0.00 H new ATOM 0 HA SER A 6 -4.926 -10.407 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.911 -11.146 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.512 -12.163 1.960 1.00 0.00 H new ATOM 0 HG SER A 6 -3.991 -9.825 3.402 1.00 0.00 H new ATOM 59 N GLY A 7 -5.432 -8.056 0.710 1.00 0.00 N ATOM 60 CA GLY A 7 -5.742 -6.670 1.007 1.00 0.00 C ATOM 61 C GLY A 7 -4.568 -5.931 1.617 1.00 0.00 C ATOM 62 O GLY A 7 -3.435 -6.061 1.154 1.00 0.00 O ATOM 0 H GLY A 7 -5.888 -8.428 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.049 -6.165 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.589 -6.629 1.692 1.00 0.00 H new ATOM 66 N SER A 8 -4.839 -5.151 2.659 1.00 0.00 N ATOM 67 CA SER A 8 -3.796 -4.383 3.330 1.00 0.00 C ATOM 68 C SER A 8 -3.163 -3.376 2.375 1.00 0.00 C ATOM 69 O SER A 8 -1.940 -3.243 2.315 1.00 0.00 O ATOM 70 CB SER A 8 -2.723 -5.319 3.888 1.00 0.00 C ATOM 71 OG SER A 8 -1.732 -4.595 4.595 1.00 0.00 O ATOM 0 H SER A 8 -5.771 -5.034 3.057 1.00 0.00 H new ATOM 0 HA SER A 8 -4.255 -3.836 4.154 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.184 -6.052 4.550 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.260 -5.874 3.072 1.00 0.00 H new ATOM 0 HG SER A 8 -1.544 -3.755 4.127 1.00 0.00 H new ATOM 77 N LYS A 9 -4.003 -2.669 1.627 1.00 0.00 N ATOM 78 CA LYS A 9 -3.528 -1.673 0.674 1.00 0.00 C ATOM 79 C LYS A 9 -3.175 -0.368 1.382 1.00 0.00 C ATOM 80 O LYS A 9 -3.545 0.715 0.929 1.00 0.00 O ATOM 81 CB LYS A 9 -4.591 -1.414 -0.396 1.00 0.00 C ATOM 82 CG LYS A 9 -4.723 -2.540 -1.407 1.00 0.00 C ATOM 83 CD LYS A 9 -5.438 -2.078 -2.666 1.00 0.00 C ATOM 84 CE LYS A 9 -6.944 -2.025 -2.464 1.00 0.00 C ATOM 85 NZ LYS A 9 -7.662 -1.695 -3.726 1.00 0.00 N ATOM 0 H LYS A 9 -5.018 -2.768 1.662 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.628 -2.062 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.554 -1.259 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.348 -0.491 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.733 -2.915 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.271 -3.369 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.073 -1.091 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.204 -2.755 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.294 -2.986 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.183 -1.280 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.686 -1.669 -3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.347 -0.766 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.455 -2.420 -4.443 1.00 0.00 H new ATOM 99 N VAL A 10 -2.456 -0.479 2.494 1.00 0.00 N ATOM 100 CA VAL A 10 -2.051 0.692 3.263 1.00 0.00 C ATOM 101 C VAL A 10 -0.545 0.910 3.178 1.00 0.00 C ATOM 102 O VAL A 10 -0.064 2.039 3.277 1.00 0.00 O ATOM 103 CB VAL A 10 -2.458 0.560 4.742 1.00 0.00 C ATOM 104 CG1 VAL A 10 -1.824 -0.676 5.363 1.00 0.00 C ATOM 105 CG2 VAL A 10 -2.070 1.812 5.514 1.00 0.00 C ATOM 0 H VAL A 10 -2.142 -1.368 2.883 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.564 1.550 2.829 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.541 0.448 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.123 -0.752 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.155 -1.564 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.739 -0.598 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.365 1.702 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.991 1.956 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.576 2.676 5.083 1.00 0.00 H new ATOM 115 N TRP A 11 0.196 -0.178 2.996 1.00 0.00 N ATOM 116 CA TRP A 11 1.649 -0.105 2.898 1.00 0.00 C ATOM 117 C TRP A 11 2.072 0.773 1.725 1.00 0.00 C ATOM 118 O TRP A 11 3.026 1.545 1.827 1.00 0.00 O ATOM 119 CB TRP A 11 2.241 -1.507 2.740 1.00 0.00 C ATOM 120 CG TRP A 11 2.160 -2.329 3.991 1.00 0.00 C ATOM 121 CD1 TRP A 11 1.172 -3.209 4.330 1.00 0.00 C ATOM 122 CD2 TRP A 11 3.103 -2.347 5.067 1.00 0.00 C ATOM 123 NE1 TRP A 11 1.444 -3.772 5.554 1.00 0.00 N ATOM 124 CE2 TRP A 11 2.624 -3.261 6.026 1.00 0.00 C ATOM 125 CE3 TRP A 11 4.307 -1.681 5.314 1.00 0.00 C ATOM 126 CZ2 TRP A 11 3.307 -3.523 7.211 1.00 0.00 C ATOM 127 CZ3 TRP A 11 4.983 -1.942 6.490 1.00 0.00 C ATOM 128 CH2 TRP A 11 4.483 -2.857 7.426 1.00 0.00 C ATOM 0 H TRP A 11 -0.186 -1.120 2.913 1.00 0.00 H new ATOM 0 HA TRP A 11 2.028 0.341 3.817 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.717 -2.027 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.284 -1.421 2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.305 -3.430 3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.862 -4.459 6.033 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.702 -0.975 4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.922 -4.227 7.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.913 -1.432 6.692 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.037 -3.040 8.335 1.00 0.00 H new ATOM 139 N LYS A 12 1.357 0.652 0.612 1.00 0.00 N ATOM 140 CA LYS A 12 1.657 1.436 -0.580 1.00 0.00 C ATOM 141 C LYS A 12 2.167 2.824 -0.204 1.00 0.00 C ATOM 142 O LYS A 12 3.197 3.274 -0.706 1.00 0.00 O ATOM 143 CB LYS A 12 0.412 1.560 -1.461 1.00 0.00 C ATOM 144 CG LYS A 12 0.726 1.775 -2.931 1.00 0.00 C ATOM 145 CD LYS A 12 1.031 3.233 -3.229 1.00 0.00 C ATOM 146 CE LYS A 12 1.365 3.444 -4.698 1.00 0.00 C ATOM 147 NZ LYS A 12 1.465 4.890 -5.042 1.00 0.00 N ATOM 0 H LYS A 12 0.565 0.018 0.511 1.00 0.00 H new ATOM 0 HA LYS A 12 2.439 0.919 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.189 0.657 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.195 2.391 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.579 1.159 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.120 1.448 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.173 3.848 -2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.867 3.564 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.308 2.949 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.598 2.976 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.694 4.992 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.557 5.358 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.214 5.332 -4.471 1.00 0.00 H new ATOM 161 N TYR A 13 1.440 3.496 0.681 1.00 0.00 N ATOM 162 CA TYR A 13 1.818 4.833 1.123 1.00 0.00 C ATOM 163 C TYR A 13 3.091 4.789 1.964 1.00 0.00 C ATOM 164 O TYR A 13 4.010 5.584 1.762 1.00 0.00 O ATOM 165 CB TYR A 13 0.683 5.467 1.929 1.00 0.00 C ATOM 166 CG TYR A 13 -0.579 5.689 1.126 1.00 0.00 C ATOM 167 CD1 TYR A 13 -0.600 6.580 0.060 1.00 0.00 C ATOM 168 CD2 TYR A 13 -1.750 5.009 1.434 1.00 0.00 C ATOM 169 CE1 TYR A 13 -1.750 6.787 -0.676 1.00 0.00 C ATOM 170 CE2 TYR A 13 -2.905 5.208 0.703 1.00 0.00 C ATOM 171 CZ TYR A 13 -2.900 6.098 -0.351 1.00 0.00 C ATOM 172 OH TYR A 13 -4.049 6.300 -1.081 1.00 0.00 O ATOM 0 H TYR A 13 0.585 3.137 1.107 1.00 0.00 H new ATOM 0 HA TYR A 13 2.009 5.440 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.453 4.828 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.022 6.423 2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.299 7.120 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.758 4.313 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.749 7.484 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.807 4.670 0.955 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.732 6.709 -0.510 1.00 0.00 H new ATOM 182 N PHE A 14 3.137 3.854 2.907 1.00 0.00 N ATOM 183 CA PHE A 14 4.296 3.705 3.779 1.00 0.00 C ATOM 184 C PHE A 14 5.142 2.506 3.360 1.00 0.00 C ATOM 185 O PHE A 14 4.795 1.360 3.641 1.00 0.00 O ATOM 186 CB PHE A 14 3.849 3.545 5.234 1.00 0.00 C ATOM 187 CG PHE A 14 2.864 4.589 5.676 1.00 0.00 C ATOM 188 CD1 PHE A 14 1.572 4.598 5.176 1.00 0.00 C ATOM 189 CD2 PHE A 14 3.230 5.562 6.593 1.00 0.00 C ATOM 190 CE1 PHE A 14 0.663 5.557 5.581 1.00 0.00 C ATOM 191 CE2 PHE A 14 2.326 6.523 7.002 1.00 0.00 C ATOM 192 CZ PHE A 14 1.041 6.521 6.495 1.00 0.00 C ATOM 0 H PHE A 14 2.385 3.188 3.087 1.00 0.00 H new ATOM 0 HA PHE A 14 4.904 4.605 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.403 2.559 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.725 3.586 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.271 3.846 4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.233 5.569 6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.341 5.553 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.624 7.275 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.333 7.272 6.813 1.00 0.00 H new ATOM 202 N GLY A 15 6.254 2.781 2.686 1.00 0.00 N ATOM 203 CA GLY A 15 7.132 1.715 2.238 1.00 0.00 C ATOM 204 C GLY A 15 8.311 1.506 3.168 1.00 0.00 C ATOM 205 O GLY A 15 8.974 2.464 3.567 1.00 0.00 O ATOM 0 H GLY A 15 6.563 3.722 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.564 0.788 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.499 1.946 1.238 1.00 0.00 H new ATOM 209 N PHE A 16 8.573 0.250 3.515 1.00 0.00 N ATOM 210 CA PHE A 16 9.678 -0.082 4.407 1.00 0.00 C ATOM 211 C PHE A 16 10.875 -0.604 3.617 1.00 0.00 C ATOM 212 O PHE A 16 10.737 -1.489 2.773 1.00 0.00 O ATOM 213 CB PHE A 16 9.236 -1.125 5.435 1.00 0.00 C ATOM 214 CG PHE A 16 10.121 -1.183 6.648 1.00 0.00 C ATOM 215 CD1 PHE A 16 11.478 -1.430 6.520 1.00 0.00 C ATOM 216 CD2 PHE A 16 9.594 -0.992 7.915 1.00 0.00 C ATOM 217 CE1 PHE A 16 12.295 -1.484 7.634 1.00 0.00 C ATOM 218 CE2 PHE A 16 10.406 -1.044 9.032 1.00 0.00 C ATOM 219 CZ PHE A 16 11.758 -1.292 8.892 1.00 0.00 C ATOM 0 H PHE A 16 8.035 -0.554 3.192 1.00 0.00 H new ATOM 0 HA PHE A 16 9.977 0.827 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.216 -0.904 5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.218 -2.106 4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.903 -1.582 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.537 -0.800 8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 16 13.352 -1.676 7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.984 -0.891 10.014 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.393 -1.336 9.764 1.00 0.00 H new ATOM 229 N ASP A 17 12.049 -0.048 3.898 1.00 0.00 N ATOM 230 CA ASP A 17 13.271 -0.457 3.215 1.00 0.00 C ATOM 231 C ASP A 17 14.001 -1.537 4.008 1.00 0.00 C ATOM 232 O ASP A 17 14.753 -1.240 4.937 1.00 0.00 O ATOM 233 CB ASP A 17 14.190 0.747 3.004 1.00 0.00 C ATOM 234 CG ASP A 17 14.220 1.670 4.206 1.00 0.00 C ATOM 235 OD1 ASP A 17 14.530 1.190 5.317 1.00 0.00 O ATOM 236 OD2 ASP A 17 13.934 2.874 4.037 1.00 0.00 O ATOM 0 H ASP A 17 12.180 0.687 4.594 1.00 0.00 H new ATOM 0 HA ASP A 17 12.995 -0.868 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.200 0.397 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.857 1.305 2.129 1.00 0.00 H new ATOM 241 N THR A 18 13.773 -2.793 3.636 1.00 0.00 N ATOM 242 CA THR A 18 14.407 -3.917 4.314 1.00 0.00 C ATOM 243 C THR A 18 14.068 -5.235 3.626 1.00 0.00 C ATOM 244 O THR A 18 13.227 -5.280 2.730 1.00 0.00 O ATOM 245 CB THR A 18 13.978 -3.997 5.791 1.00 0.00 C ATOM 246 OG1 THR A 18 14.763 -4.979 6.477 1.00 0.00 O ATOM 247 CG2 THR A 18 12.503 -4.349 5.908 1.00 0.00 C ATOM 0 H THR A 18 13.154 -3.057 2.869 1.00 0.00 H new ATOM 0 HA THR A 18 15.483 -3.750 4.265 1.00 0.00 H new ATOM 0 HB THR A 18 14.140 -3.020 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.992 -4.648 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.223 -4.400 6.960 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.906 -3.585 5.410 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.321 -5.315 5.437 1.00 0.00 H new ATOM 255 N ASN A 19 14.730 -6.306 4.052 1.00 0.00 N ATOM 256 CA ASN A 19 14.498 -7.626 3.476 1.00 0.00 C ATOM 257 C ASN A 19 13.011 -7.857 3.224 1.00 0.00 C ATOM 258 O ASN A 19 12.162 -7.155 3.773 1.00 0.00 O ATOM 259 CB ASN A 19 15.044 -8.713 4.405 1.00 0.00 C ATOM 260 CG ASN A 19 14.465 -10.080 4.097 1.00 0.00 C ATOM 261 OD1 ASN A 19 13.366 -10.416 4.540 1.00 0.00 O ATOM 262 ND2 ASN A 19 15.204 -10.878 3.334 1.00 0.00 N ATOM 0 H ASN A 19 15.431 -6.286 4.793 1.00 0.00 H new ATOM 0 HA ASN A 19 15.022 -7.675 2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.130 -8.752 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.819 -8.451 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.866 -11.810 3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.109 -10.559 2.989 1.00 0.00 H new ATOM 269 N ALA A 20 12.704 -8.845 2.391 1.00 0.00 N ATOM 270 CA ALA A 20 11.320 -9.170 2.068 1.00 0.00 C ATOM 271 C ALA A 20 11.032 -10.648 2.313 1.00 0.00 C ATOM 272 O ALA A 20 10.634 -11.370 1.400 1.00 0.00 O ATOM 273 CB ALA A 20 11.015 -8.803 0.624 1.00 0.00 C ATOM 0 H ALA A 20 13.395 -9.435 1.927 1.00 0.00 H new ATOM 0 HA ALA A 20 10.673 -8.587 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.978 -9.051 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.172 -7.734 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.675 -9.360 -0.040 1.00 0.00 H new ATOM 279 N GLU A 21 11.237 -11.089 3.550 1.00 0.00 N ATOM 280 CA GLU A 21 11.000 -12.482 3.912 1.00 0.00 C ATOM 281 C GLU A 21 10.480 -12.591 5.343 1.00 0.00 C ATOM 282 O GLU A 21 11.164 -12.215 6.293 1.00 0.00 O ATOM 283 CB GLU A 21 12.286 -13.297 3.761 1.00 0.00 C ATOM 284 CG GLU A 21 12.677 -13.555 2.316 1.00 0.00 C ATOM 285 CD GLU A 21 11.842 -14.644 1.671 1.00 0.00 C ATOM 286 OE1 GLU A 21 10.744 -14.936 2.189 1.00 0.00 O ATOM 287 OE2 GLU A 21 12.287 -15.205 0.647 1.00 0.00 O ATOM 0 H GLU A 21 11.566 -10.503 4.317 1.00 0.00 H new ATOM 0 HA GLU A 21 10.243 -12.883 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.100 -12.771 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.163 -14.252 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.569 -12.633 1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.729 -13.836 2.273 1.00 0.00 H new ATOM 294 N GLY A 22 9.264 -13.109 5.487 1.00 0.00 N ATOM 295 CA GLY A 22 8.672 -13.258 6.803 1.00 0.00 C ATOM 296 C GLY A 22 9.070 -12.141 7.748 1.00 0.00 C ATOM 297 O GLY A 22 8.504 -11.048 7.701 1.00 0.00 O ATOM 0 H GLY A 22 8.678 -13.428 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.586 -13.281 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.975 -14.215 7.228 1.00 0.00 H new ATOM 301 N CYS A 23 10.045 -12.414 8.607 1.00 0.00 N ATOM 302 CA CYS A 23 10.517 -11.424 9.569 1.00 0.00 C ATOM 303 C CYS A 23 11.513 -10.469 8.921 1.00 0.00 C ATOM 304 O CYS A 23 12.716 -10.543 9.177 1.00 0.00 O ATOM 305 CB CYS A 23 11.163 -12.117 10.770 1.00 0.00 C ATOM 306 SG CYS A 23 11.023 -11.193 12.318 1.00 0.00 S ATOM 0 H CYS A 23 10.525 -13.313 8.657 1.00 0.00 H new ATOM 0 HA CYS A 23 9.658 -10.847 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 23 10.703 -13.097 10.901 1.00 0.00 H new ATOM 0 HB3 CYS A 23 12.218 -12.286 10.554 1.00 0.00 H new ATOM 0 HG CYS A 23 11.597 -11.860 13.275 1.00 0.00 H new ATOM 312 N ILE A 24 11.006 -9.573 8.081 1.00 0.00 N ATOM 313 CA ILE A 24 11.852 -8.603 7.396 1.00 0.00 C ATOM 314 C ILE A 24 13.033 -8.192 8.268 1.00 0.00 C ATOM 315 O ILE A 24 14.170 -8.124 7.800 1.00 0.00 O ATOM 316 CB ILE A 24 11.058 -7.345 6.999 1.00 0.00 C ATOM 317 CG1 ILE A 24 10.007 -7.022 8.063 1.00 0.00 C ATOM 318 CG2 ILE A 24 10.401 -7.539 5.640 1.00 0.00 C ATOM 319 CD1 ILE A 24 9.304 -5.701 7.837 1.00 0.00 C ATOM 0 H ILE A 24 10.013 -9.498 7.858 1.00 0.00 H new ATOM 0 HA ILE A 24 12.222 -9.088 6.493 1.00 0.00 H new ATOM 0 HB ILE A 24 11.749 -6.505 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.265 -7.820 8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.486 -7.007 9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.844 -6.641 5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.168 -7.726 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.720 -8.389 5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.573 -5.538 8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.036 -4.893 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.796 -5.719 6.873 1.00 0.00 H new ATOM 331 N LEU A 25 12.757 -7.919 9.538 1.00 0.00 N ATOM 332 CA LEU A 25 13.797 -7.515 10.478 1.00 0.00 C ATOM 333 C LEU A 25 13.230 -7.364 11.886 1.00 0.00 C ATOM 334 O LEU A 25 12.025 -7.187 12.064 1.00 0.00 O ATOM 335 CB LEU A 25 14.435 -6.199 10.029 1.00 0.00 C ATOM 336 CG LEU A 25 15.844 -5.922 10.555 1.00 0.00 C ATOM 337 CD1 LEU A 25 16.889 -6.461 9.591 1.00 0.00 C ATOM 338 CD2 LEU A 25 16.044 -4.431 10.784 1.00 0.00 C ATOM 0 H LEU A 25 11.821 -7.970 9.941 1.00 0.00 H new ATOM 0 HA LEU A 25 14.559 -8.294 10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.467 -6.187 8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.786 -5.380 10.338 1.00 0.00 H new ATOM 0 HG LEU A 25 15.962 -6.434 11.510 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.885 -6.255 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.759 -7.537 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.773 -5.978 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.052 -4.252 11.158 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.906 -3.897 9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.317 -4.074 11.514 1.00 0.00 H new ATOM 350 N GLN A 26 14.107 -7.432 12.882 1.00 0.00 N ATOM 351 CA GLN A 26 13.694 -7.301 14.274 1.00 0.00 C ATOM 352 C GLN A 26 12.809 -6.074 14.466 1.00 0.00 C ATOM 353 O GLN A 26 12.588 -5.304 13.531 1.00 0.00 O ATOM 354 CB GLN A 26 14.918 -7.209 15.186 1.00 0.00 C ATOM 355 CG GLN A 26 15.745 -8.484 15.225 1.00 0.00 C ATOM 356 CD GLN A 26 17.208 -8.222 15.526 1.00 0.00 C ATOM 357 OE1 GLN A 26 17.685 -7.093 15.409 1.00 0.00 O ATOM 358 NE2 GLN A 26 17.929 -9.267 15.916 1.00 0.00 N ATOM 0 H GLN A 26 15.108 -7.577 12.751 1.00 0.00 H new ATOM 0 HA GLN A 26 13.118 -8.187 14.540 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.550 -6.386 14.851 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.590 -6.967 16.197 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.337 -9.154 15.981 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.661 -8.996 14.267 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.493 -10.185 15.999 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.919 -9.151 16.132 1.00 0.00 H new ATOM 367 N TRP A 27 12.305 -5.899 15.682 1.00 0.00 N ATOM 368 CA TRP A 27 11.443 -4.765 15.996 1.00 0.00 C ATOM 369 C TRP A 27 11.858 -3.530 15.204 1.00 0.00 C ATOM 370 O TRP A 27 12.960 -3.009 15.379 1.00 0.00 O ATOM 371 CB TRP A 27 11.488 -4.463 17.495 1.00 0.00 C ATOM 372 CG TRP A 27 12.879 -4.418 18.050 1.00 0.00 C ATOM 373 CD1 TRP A 27 13.754 -3.372 17.985 1.00 0.00 C ATOM 374 CD2 TRP A 27 13.555 -5.466 18.754 1.00 0.00 C ATOM 375 NE1 TRP A 27 14.933 -3.705 18.605 1.00 0.00 N ATOM 376 CE2 TRP A 27 14.837 -4.984 19.086 1.00 0.00 C ATOM 377 CE3 TRP A 27 13.202 -6.762 19.138 1.00 0.00 C ATOM 378 CZ2 TRP A 27 15.764 -5.756 19.782 1.00 0.00 C ATOM 379 CZ3 TRP A 27 14.124 -7.526 19.828 1.00 0.00 C ATOM 380 CH2 TRP A 27 15.391 -7.021 20.145 1.00 0.00 C ATOM 0 H TRP A 27 12.478 -6.527 16.467 1.00 0.00 H new ATOM 0 HA TRP A 27 10.423 -5.028 15.716 1.00 0.00 H new ATOM 0 HB2 TRP A 27 10.999 -3.506 17.680 1.00 0.00 H new ATOM 0 HB3 TRP A 27 10.916 -5.222 18.029 1.00 0.00 H new ATOM 0 HD1 TRP A 27 13.549 -2.422 17.515 1.00 0.00 H new ATOM 0 HE1 TRP A 27 15.748 -3.098 18.693 1.00 0.00 H new ATOM 0 HE3 TRP A 27 12.226 -7.160 18.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 16.742 -5.370 20.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 13.863 -8.530 20.128 1.00 0.00 H new ATOM 0 HH2 TRP A 27 16.088 -7.643 20.687 1.00 0.00 H new ATOM 391 N LYS A 28 10.970 -3.065 14.331 1.00 0.00 N ATOM 392 CA LYS A 28 11.244 -1.890 13.513 1.00 0.00 C ATOM 393 C LYS A 28 10.022 -0.979 13.444 1.00 0.00 C ATOM 394 O LYS A 28 8.927 -1.359 13.859 1.00 0.00 O ATOM 395 CB LYS A 28 11.659 -2.311 12.102 1.00 0.00 C ATOM 396 CG LYS A 28 13.163 -2.414 11.916 1.00 0.00 C ATOM 397 CD LYS A 28 13.807 -1.042 11.811 1.00 0.00 C ATOM 398 CE LYS A 28 15.052 -1.076 10.937 1.00 0.00 C ATOM 399 NZ LYS A 28 15.992 0.030 11.268 1.00 0.00 N ATOM 0 H LYS A 28 10.054 -3.485 14.172 1.00 0.00 H new ATOM 0 HA LYS A 28 12.062 -1.338 13.976 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.206 -3.275 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.261 -1.592 11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.598 -2.958 12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.381 -2.989 11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.090 -0.333 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.070 -0.685 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.558 -2.033 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.762 -1.005 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.827 -0.028 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.517 0.944 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.289 -0.052 12.261 1.00 0.00 H new ATOM 413 N LYS A 29 10.217 0.225 12.916 1.00 0.00 N ATOM 414 CA LYS A 29 9.131 1.190 12.789 1.00 0.00 C ATOM 415 C LYS A 29 8.885 1.543 11.326 1.00 0.00 C ATOM 416 O LYS A 29 9.757 1.354 10.477 1.00 0.00 O ATOM 417 CB LYS A 29 9.453 2.457 13.583 1.00 0.00 C ATOM 418 CG LYS A 29 9.528 2.233 15.084 1.00 0.00 C ATOM 419 CD LYS A 29 8.147 2.237 15.718 1.00 0.00 C ATOM 420 CE LYS A 29 7.602 0.826 15.876 1.00 0.00 C ATOM 421 NZ LYS A 29 7.963 0.237 17.195 1.00 0.00 N ATOM 0 H LYS A 29 11.117 0.556 12.569 1.00 0.00 H new ATOM 0 HA LYS A 29 8.226 0.736 13.192 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.404 2.861 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.693 3.209 13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.020 1.282 15.287 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.140 3.012 15.539 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.195 2.721 16.693 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.465 2.825 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.517 0.842 15.770 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.991 0.195 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.573 -0.725 17.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.998 0.199 17.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.570 0.825 17.957 1.00 0.00 H new ATOM 435 N ILE A 30 7.693 2.056 11.038 1.00 0.00 N ATOM 436 CA ILE A 30 7.335 2.438 9.678 1.00 0.00 C ATOM 437 C ILE A 30 7.669 3.901 9.411 1.00 0.00 C ATOM 438 O ILE A 30 7.851 4.687 10.341 1.00 0.00 O ATOM 439 CB ILE A 30 5.837 2.207 9.405 1.00 0.00 C ATOM 440 CG1 ILE A 30 5.449 0.767 9.746 1.00 0.00 C ATOM 441 CG2 ILE A 30 5.509 2.520 7.953 1.00 0.00 C ATOM 442 CD1 ILE A 30 6.166 -0.267 8.906 1.00 0.00 C ATOM 0 H ILE A 30 6.959 2.216 11.728 1.00 0.00 H new ATOM 0 HA ILE A 30 7.920 1.807 9.009 1.00 0.00 H new ATOM 0 HB ILE A 30 5.260 2.878 10.041 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.664 0.581 10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.374 0.648 9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.447 2.352 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.752 3.561 7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.093 1.871 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.842 -1.265 9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.932 -0.107 7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.242 -0.175 9.056 1.00 0.00 H new ATOM 454 N TYR A 31 7.748 4.261 8.135 1.00 0.00 N ATOM 455 CA TYR A 31 8.061 5.631 7.745 1.00 0.00 C ATOM 456 C TYR A 31 7.359 6.000 6.441 1.00 0.00 C ATOM 457 O TYR A 31 7.231 5.175 5.536 1.00 0.00 O ATOM 458 CB TYR A 31 9.573 5.806 7.591 1.00 0.00 C ATOM 459 CG TYR A 31 10.070 5.567 6.183 1.00 0.00 C ATOM 460 CD1 TYR A 31 9.823 6.488 5.172 1.00 0.00 C ATOM 461 CD2 TYR A 31 10.785 4.420 5.864 1.00 0.00 C ATOM 462 CE1 TYR A 31 10.275 6.273 3.885 1.00 0.00 C ATOM 463 CE2 TYR A 31 11.242 4.197 4.579 1.00 0.00 C ATOM 464 CZ TYR A 31 10.984 5.126 3.593 1.00 0.00 C ATOM 465 OH TYR A 31 11.437 4.908 2.312 1.00 0.00 O ATOM 0 H TYR A 31 7.600 3.623 7.353 1.00 0.00 H new ATOM 0 HA TYR A 31 7.703 6.297 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.846 6.816 7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.081 5.119 8.268 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.268 7.387 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.987 3.690 6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.075 6.999 3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.798 3.300 4.348 1.00 0.00 H new ATOM 0 HH TYR A 31 11.919 4.055 2.276 1.00 0.00 H new ATOM 475 N CYS A 32 6.908 7.247 6.353 1.00 0.00 N ATOM 476 CA CYS A 32 6.219 7.728 5.161 1.00 0.00 C ATOM 477 C CYS A 32 7.201 8.378 4.191 1.00 0.00 C ATOM 478 O CYS A 32 7.903 9.326 4.543 1.00 0.00 O ATOM 479 CB CYS A 32 5.128 8.729 5.547 1.00 0.00 C ATOM 480 SG CYS A 32 4.269 9.477 4.125 1.00 0.00 S ATOM 0 H CYS A 32 7.007 7.942 7.092 1.00 0.00 H new ATOM 0 HA CYS A 32 5.759 6.872 4.666 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.395 8.226 6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.573 9.522 6.147 1.00 0.00 H new ATOM 485 N ARG A 33 7.245 7.861 2.967 1.00 0.00 N ATOM 486 CA ARG A 33 8.141 8.390 1.946 1.00 0.00 C ATOM 487 C ARG A 33 7.576 9.669 1.336 1.00 0.00 C ATOM 488 O ARG A 33 8.325 10.563 0.940 1.00 0.00 O ATOM 489 CB ARG A 33 8.370 7.348 0.849 1.00 0.00 C ATOM 490 CG ARG A 33 7.092 6.894 0.163 1.00 0.00 C ATOM 491 CD ARG A 33 7.280 5.558 -0.538 1.00 0.00 C ATOM 492 NE ARG A 33 8.286 5.630 -1.594 1.00 0.00 N ATOM 493 CZ ARG A 33 8.006 5.934 -2.856 1.00 0.00 C ATOM 494 NH1 ARG A 33 6.757 6.193 -3.217 1.00 0.00 N ATOM 495 NH2 ARG A 33 8.977 5.981 -3.760 1.00 0.00 N ATOM 0 H ARG A 33 6.671 7.077 2.659 1.00 0.00 H new ATOM 0 HA ARG A 33 9.094 8.624 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.046 7.763 0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.868 6.480 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.293 6.810 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.780 7.646 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.574 4.804 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.330 5.235 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 33 9.257 5.436 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.009 6.159 -2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.544 6.426 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.939 5.783 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.761 6.215 -4.729 1.00 0.00 H new ATOM 509 N ILE A 34 6.251 9.749 1.263 1.00 0.00 N ATOM 510 CA ILE A 34 5.587 10.919 0.703 1.00 0.00 C ATOM 511 C ILE A 34 6.123 12.205 1.322 1.00 0.00 C ATOM 512 O ILE A 34 6.573 13.107 0.614 1.00 0.00 O ATOM 513 CB ILE A 34 4.063 10.857 0.916 1.00 0.00 C ATOM 514 CG1 ILE A 34 3.495 9.566 0.321 1.00 0.00 C ATOM 515 CG2 ILE A 34 3.391 12.073 0.296 1.00 0.00 C ATOM 516 CD1 ILE A 34 2.042 9.329 0.668 1.00 0.00 C ATOM 0 H ILE A 34 5.617 9.018 1.585 1.00 0.00 H new ATOM 0 HA ILE A 34 5.797 10.919 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 34 3.860 10.861 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.601 9.598 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.087 8.722 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.314 12.014 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.778 12.979 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.599 12.098 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.707 8.397 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.932 9.265 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.438 10.155 0.291 1.00 0.00 H new ATOM 528 N CYS A 35 6.074 12.283 2.647 1.00 0.00 N ATOM 529 CA CYS A 35 6.555 13.458 3.363 1.00 0.00 C ATOM 530 C CYS A 35 7.827 13.136 4.143 1.00 0.00 C ATOM 531 O CYS A 35 8.198 13.856 5.070 1.00 0.00 O ATOM 532 CB CYS A 35 5.477 13.977 4.317 1.00 0.00 C ATOM 533 SG CYS A 35 5.155 12.887 5.740 1.00 0.00 S ATOM 0 H CYS A 35 5.706 11.545 3.247 1.00 0.00 H new ATOM 0 HA CYS A 35 6.784 14.231 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.775 14.959 4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.550 14.113 3.760 1.00 0.00 H new ATOM 538 N MET A 36 8.491 12.050 3.760 1.00 0.00 N ATOM 539 CA MET A 36 9.722 11.634 4.422 1.00 0.00 C ATOM 540 C MET A 36 9.598 11.771 5.936 1.00 0.00 C ATOM 541 O MET A 36 10.458 12.364 6.587 1.00 0.00 O ATOM 542 CB MET A 36 10.903 12.464 3.917 1.00 0.00 C ATOM 543 CG MET A 36 12.254 11.814 4.168 1.00 0.00 C ATOM 544 SD MET A 36 12.782 10.760 2.803 1.00 0.00 S ATOM 545 CE MET A 36 12.389 9.139 3.456 1.00 0.00 C ATOM 0 H MET A 36 8.197 11.443 2.995 1.00 0.00 H new ATOM 0 HA MET A 36 9.897 10.585 4.184 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.785 12.636 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.883 13.441 4.401 1.00 0.00 H new ATOM 0 HG2 MET A 36 13.001 12.590 4.333 1.00 0.00 H new ATOM 0 HG3 MET A 36 12.204 11.221 5.081 1.00 0.00 H new ATOM 0 HE1 MET A 36 12.890 8.376 2.861 1.00 0.00 H new ATOM 0 HE2 MET A 36 12.726 9.072 4.490 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.311 8.982 3.415 1.00 0.00 H new ATOM 555 N ALA A 37 8.523 11.220 6.490 1.00 0.00 N ATOM 556 CA ALA A 37 8.288 11.280 7.927 1.00 0.00 C ATOM 557 C ALA A 37 8.272 9.884 8.539 1.00 0.00 C ATOM 558 O ALA A 37 8.324 8.883 7.825 1.00 0.00 O ATOM 559 CB ALA A 37 6.981 12.002 8.219 1.00 0.00 C ATOM 0 H ALA A 37 7.801 10.727 5.965 1.00 0.00 H new ATOM 0 HA ALA A 37 9.107 11.838 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.819 12.039 9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.030 13.017 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.157 11.468 7.746 1.00 0.00 H new ATOM 565 N GLN A 38 8.200 9.825 9.865 1.00 0.00 N ATOM 566 CA GLN A 38 8.178 8.550 10.573 1.00 0.00 C ATOM 567 C GLN A 38 6.859 8.362 11.315 1.00 0.00 C ATOM 568 O GLN A 38 6.312 9.311 11.879 1.00 0.00 O ATOM 569 CB GLN A 38 9.347 8.468 11.556 1.00 0.00 C ATOM 570 CG GLN A 38 9.319 7.226 12.431 1.00 0.00 C ATOM 571 CD GLN A 38 10.700 6.813 12.901 1.00 0.00 C ATOM 572 OE1 GLN A 38 11.503 6.292 12.126 1.00 0.00 O ATOM 573 NE2 GLN A 38 10.985 7.044 14.178 1.00 0.00 N ATOM 0 H GLN A 38 8.156 10.645 10.470 1.00 0.00 H new ATOM 0 HA GLN A 38 8.276 7.752 9.837 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.283 8.488 10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.338 9.352 12.194 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.684 7.411 13.298 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.868 6.404 11.875 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.290 7.478 14.785 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.899 6.787 14.551 1.00 0.00 H new ATOM 582 N ILE A 39 6.353 7.134 11.312 1.00 0.00 N ATOM 583 CA ILE A 39 5.099 6.822 11.986 1.00 0.00 C ATOM 584 C ILE A 39 5.250 5.607 12.894 1.00 0.00 C ATOM 585 O ILE A 39 5.854 4.605 12.512 1.00 0.00 O ATOM 586 CB ILE A 39 3.968 6.556 10.975 1.00 0.00 C ATOM 587 CG1 ILE A 39 3.735 7.790 10.100 1.00 0.00 C ATOM 588 CG2 ILE A 39 2.689 6.167 11.702 1.00 0.00 C ATOM 589 CD1 ILE A 39 4.723 7.918 8.962 1.00 0.00 C ATOM 0 H ILE A 39 6.793 6.338 10.850 1.00 0.00 H new ATOM 0 HA ILE A 39 4.840 7.692 12.589 1.00 0.00 H new ATOM 0 HB ILE A 39 4.264 5.728 10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.725 7.750 9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.792 8.683 10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.899 5.982 10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.863 5.263 12.286 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.388 6.976 12.367 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.498 8.814 8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.734 7.989 9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.650 7.042 8.317 1.00 0.00 H new ATOM 601 N ALA A 40 4.696 5.702 14.098 1.00 0.00 N ATOM 602 CA ALA A 40 4.766 4.609 15.060 1.00 0.00 C ATOM 603 C ALA A 40 3.879 3.445 14.633 1.00 0.00 C ATOM 604 O ALA A 40 2.733 3.641 14.227 1.00 0.00 O ATOM 605 CB ALA A 40 4.368 5.099 16.445 1.00 0.00 C ATOM 0 H ALA A 40 4.194 6.525 14.431 1.00 0.00 H new ATOM 0 HA ALA A 40 5.796 4.253 15.095 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.425 4.273 17.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.046 5.893 16.759 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.348 5.483 16.416 1.00 0.00 H new ATOM 611 N TYR A 41 4.415 2.233 14.727 1.00 0.00 N ATOM 612 CA TYR A 41 3.673 1.037 14.347 1.00 0.00 C ATOM 613 C TYR A 41 3.233 0.254 15.580 1.00 0.00 C ATOM 614 O TYR A 41 4.062 -0.215 16.359 1.00 0.00 O ATOM 615 CB TYR A 41 4.527 0.147 13.442 1.00 0.00 C ATOM 616 CG TYR A 41 3.753 -0.981 12.799 1.00 0.00 C ATOM 617 CD1 TYR A 41 2.724 -0.721 11.902 1.00 0.00 C ATOM 618 CD2 TYR A 41 4.051 -2.307 13.088 1.00 0.00 C ATOM 619 CE1 TYR A 41 2.014 -1.749 11.312 1.00 0.00 C ATOM 620 CE2 TYR A 41 3.347 -3.341 12.501 1.00 0.00 C ATOM 621 CZ TYR A 41 2.330 -3.057 11.614 1.00 0.00 C ATOM 622 OH TYR A 41 1.626 -4.085 11.029 1.00 0.00 O ATOM 0 H TYR A 41 5.361 2.053 15.063 1.00 0.00 H new ATOM 0 HA TYR A 41 2.783 1.351 13.801 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.975 0.761 12.661 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.346 -0.272 14.027 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.475 0.302 11.662 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.846 -2.533 13.783 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.216 -1.529 10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.592 -4.366 12.736 1.00 0.00 H new ATOM 0 HH TYR A 41 0.950 -4.417 11.656 1.00 0.00 H new ATOM 632 N SER A 42 1.922 0.118 15.750 1.00 0.00 N ATOM 633 CA SER A 42 1.370 -0.605 16.890 1.00 0.00 C ATOM 634 C SER A 42 0.655 -1.873 16.434 1.00 0.00 C ATOM 635 O SER A 42 -0.573 -1.919 16.374 1.00 0.00 O ATOM 636 CB SER A 42 0.401 0.289 17.667 1.00 0.00 C ATOM 637 OG SER A 42 -0.682 0.699 16.850 1.00 0.00 O ATOM 0 H SER A 42 1.222 0.499 15.113 1.00 0.00 H new ATOM 0 HA SER A 42 2.195 -0.889 17.543 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.022 -0.249 18.536 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.930 1.165 18.041 1.00 0.00 H new ATOM 0 HG SER A 42 -0.464 1.553 16.422 1.00 0.00 H new ATOM 643 N GLY A 43 1.434 -2.902 16.113 1.00 0.00 N ATOM 644 CA GLY A 43 0.859 -4.157 15.667 1.00 0.00 C ATOM 645 C GLY A 43 0.088 -4.013 14.369 1.00 0.00 C ATOM 646 O GLY A 43 0.604 -4.321 13.296 1.00 0.00 O ATOM 0 H GLY A 43 2.453 -2.888 16.154 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.654 -4.891 15.534 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.195 -4.544 16.440 1.00 0.00 H new ATOM 650 N ASN A 44 -1.152 -3.544 14.468 1.00 0.00 N ATOM 651 CA ASN A 44 -1.996 -3.362 13.293 1.00 0.00 C ATOM 652 C ASN A 44 -1.684 -2.040 12.599 1.00 0.00 C ATOM 653 O ASN A 44 -0.977 -1.191 13.143 1.00 0.00 O ATOM 654 CB ASN A 44 -3.473 -3.407 13.688 1.00 0.00 C ATOM 655 CG ASN A 44 -3.797 -4.590 14.580 1.00 0.00 C ATOM 656 OD1 ASN A 44 -3.347 -4.662 15.723 1.00 0.00 O ATOM 657 ND2 ASN A 44 -4.583 -5.526 14.059 1.00 0.00 N ATOM 0 H ASN A 44 -1.594 -3.283 15.349 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.788 -4.175 12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.737 -2.484 14.204 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.086 -3.456 12.788 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.836 -6.345 14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.934 -5.425 13.106 1.00 0.00 H new ATOM 664 N THR A 45 -2.215 -1.871 11.392 1.00 0.00 N ATOM 665 CA THR A 45 -1.994 -0.654 10.622 1.00 0.00 C ATOM 666 C THR A 45 -2.926 0.463 11.079 1.00 0.00 C ATOM 667 O THR A 45 -3.480 1.195 10.260 1.00 0.00 O ATOM 668 CB THR A 45 -2.202 -0.896 9.115 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.496 -1.464 8.884 1.00 0.00 O ATOM 670 CG2 THR A 45 -1.129 -1.823 8.563 1.00 0.00 C ATOM 0 H THR A 45 -2.802 -2.563 10.926 1.00 0.00 H new ATOM 0 HA THR A 45 -0.960 -0.355 10.795 1.00 0.00 H new ATOM 0 HB THR A 45 -2.130 0.063 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.621 -1.613 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.296 -1.979 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.147 -1.374 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.174 -2.781 9.082 1.00 0.00 H new ATOM 678 N SER A 46 -3.093 0.588 12.392 1.00 0.00 N ATOM 679 CA SER A 46 -3.960 1.614 12.958 1.00 0.00 C ATOM 680 C SER A 46 -3.368 3.004 12.745 1.00 0.00 C ATOM 681 O SER A 46 -4.003 3.877 12.156 1.00 0.00 O ATOM 682 CB SER A 46 -4.177 1.362 14.451 1.00 0.00 C ATOM 683 OG SER A 46 -2.950 1.407 15.159 1.00 0.00 O ATOM 0 H SER A 46 -2.639 -0.009 13.083 1.00 0.00 H new ATOM 0 HA SER A 46 -4.921 1.566 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.861 2.109 14.854 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.648 0.389 14.594 1.00 0.00 H new ATOM 0 HG SER A 46 -3.116 1.245 16.111 1.00 0.00 H new ATOM 689 N ASN A 47 -2.147 3.200 13.231 1.00 0.00 N ATOM 690 CA ASN A 47 -1.467 4.484 13.095 1.00 0.00 C ATOM 691 C ASN A 47 -1.198 4.804 11.628 1.00 0.00 C ATOM 692 O ASN A 47 -1.268 5.961 11.211 1.00 0.00 O ATOM 693 CB ASN A 47 -0.152 4.473 13.877 1.00 0.00 C ATOM 694 CG ASN A 47 -0.351 4.125 15.339 1.00 0.00 C ATOM 695 OD1 ASN A 47 -0.844 3.046 15.670 1.00 0.00 O ATOM 696 ND2 ASN A 47 0.032 5.039 16.223 1.00 0.00 N ATOM 0 H ASN A 47 -1.608 2.487 13.722 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.118 5.257 13.503 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.530 3.753 13.425 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.321 5.452 13.801 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.078 4.860 17.221 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.436 5.920 15.904 1.00 0.00 H new ATOM 703 N LEU A 48 -0.890 3.773 10.850 1.00 0.00 N ATOM 704 CA LEU A 48 -0.610 3.943 9.429 1.00 0.00 C ATOM 705 C LEU A 48 -1.622 4.885 8.784 1.00 0.00 C ATOM 706 O LEU A 48 -1.266 5.959 8.301 1.00 0.00 O ATOM 707 CB LEU A 48 -0.632 2.589 8.718 1.00 0.00 C ATOM 708 CG LEU A 48 0.713 1.871 8.600 1.00 0.00 C ATOM 709 CD1 LEU A 48 1.734 2.761 7.908 1.00 0.00 C ATOM 710 CD2 LEU A 48 1.215 1.449 9.974 1.00 0.00 C ATOM 0 H LEU A 48 -0.828 2.810 11.179 1.00 0.00 H new ATOM 0 HA LEU A 48 0.383 4.382 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.325 1.935 9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.033 2.734 7.715 1.00 0.00 H new ATOM 0 HG LEU A 48 0.573 0.975 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.685 2.234 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.379 3.013 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.871 3.675 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.173 0.940 9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.339 2.331 10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.493 0.774 10.434 1.00 0.00 H new ATOM 722 N SER A 49 -2.887 4.474 8.781 1.00 0.00 N ATOM 723 CA SER A 49 -3.951 5.280 8.194 1.00 0.00 C ATOM 724 C SER A 49 -4.052 6.635 8.888 1.00 0.00 C ATOM 725 O SER A 49 -4.229 7.666 8.238 1.00 0.00 O ATOM 726 CB SER A 49 -5.289 4.544 8.290 1.00 0.00 C ATOM 727 OG SER A 49 -5.508 3.733 7.149 1.00 0.00 O ATOM 0 H SER A 49 -3.199 3.588 9.178 1.00 0.00 H new ATOM 0 HA SER A 49 -3.710 5.446 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.304 3.926 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.099 5.267 8.387 1.00 0.00 H new ATOM 0 HG SER A 49 -6.470 3.661 6.979 1.00 0.00 H new ATOM 733 N TYR A 50 -3.937 6.625 10.211 1.00 0.00 N ATOM 734 CA TYR A 50 -4.017 7.852 10.995 1.00 0.00 C ATOM 735 C TYR A 50 -3.104 8.928 10.417 1.00 0.00 C ATOM 736 O TYR A 50 -3.540 10.045 10.138 1.00 0.00 O ATOM 737 CB TYR A 50 -3.642 7.576 12.452 1.00 0.00 C ATOM 738 CG TYR A 50 -3.016 8.763 13.150 1.00 0.00 C ATOM 739 CD1 TYR A 50 -3.743 9.926 13.373 1.00 0.00 C ATOM 740 CD2 TYR A 50 -1.698 8.719 13.589 1.00 0.00 C ATOM 741 CE1 TYR A 50 -3.175 11.012 14.010 1.00 0.00 C ATOM 742 CE2 TYR A 50 -1.123 9.800 14.228 1.00 0.00 C ATOM 743 CZ TYR A 50 -1.865 10.944 14.436 1.00 0.00 C ATOM 744 OH TYR A 50 -1.296 12.024 15.072 1.00 0.00 O ATOM 0 H TYR A 50 -3.788 5.781 10.764 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.044 8.214 10.954 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.536 7.274 12.998 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.948 6.736 12.487 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.770 9.982 13.043 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.114 7.825 13.428 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.753 11.909 14.174 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.098 9.750 14.563 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.369 11.813 15.309 1.00 0.00 H new ATOM 754 N HIS A 51 -1.832 8.583 10.240 1.00 0.00 N ATOM 755 CA HIS A 51 -0.855 9.519 9.694 1.00 0.00 C ATOM 756 C HIS A 51 -1.412 10.230 8.464 1.00 0.00 C ATOM 757 O HIS A 51 -1.207 11.431 8.283 1.00 0.00 O ATOM 758 CB HIS A 51 0.437 8.786 9.332 1.00 0.00 C ATOM 759 CG HIS A 51 1.430 9.644 8.611 1.00 0.00 C ATOM 760 ND1 HIS A 51 2.120 10.671 9.220 1.00 0.00 N ATOM 761 CD2 HIS A 51 1.850 9.622 7.324 1.00 0.00 C ATOM 762 CE1 HIS A 51 2.919 11.245 8.338 1.00 0.00 C ATOM 763 NE2 HIS A 51 2.775 10.627 7.180 1.00 0.00 N ATOM 0 H HIS A 51 -1.454 7.663 10.467 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.639 10.267 10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.895 8.402 10.244 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.194 7.924 8.710 1.00 0.00 H new ATOM 0 HD1 HIS A 51 2.028 10.945 10.198 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.519 8.941 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.578 12.078 8.531 1.00 0.00 H new ATOM 771 N LEU A 52 -2.116 9.481 7.622 1.00 0.00 N ATOM 772 CA LEU A 52 -2.702 10.040 6.409 1.00 0.00 C ATOM 773 C LEU A 52 -3.922 10.895 6.737 1.00 0.00 C ATOM 774 O LEU A 52 -3.963 12.083 6.417 1.00 0.00 O ATOM 775 CB LEU A 52 -3.096 8.918 5.446 1.00 0.00 C ATOM 776 CG LEU A 52 -2.013 7.883 5.143 1.00 0.00 C ATOM 777 CD1 LEU A 52 -2.634 6.596 4.622 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.011 8.437 4.141 1.00 0.00 C ATOM 0 H LEU A 52 -2.295 8.486 7.757 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.954 10.674 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.961 8.399 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.413 9.368 4.505 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.484 7.658 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.847 5.871 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.311 6.189 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.189 6.804 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.247 7.686 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.526 8.692 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.541 9.330 4.552 1.00 0.00 H new ATOM 790 N GLU A 53 -4.912 10.283 7.379 1.00 0.00 N ATOM 791 CA GLU A 53 -6.132 10.990 7.751 1.00 0.00 C ATOM 792 C GLU A 53 -5.808 12.257 8.537 1.00 0.00 C ATOM 793 O GLU A 53 -6.620 13.180 8.612 1.00 0.00 O ATOM 794 CB GLU A 53 -7.042 10.081 8.580 1.00 0.00 C ATOM 795 CG GLU A 53 -8.472 10.584 8.686 1.00 0.00 C ATOM 796 CD GLU A 53 -8.626 11.693 9.709 1.00 0.00 C ATOM 797 OE1 GLU A 53 -8.182 11.504 10.860 1.00 0.00 O ATOM 798 OE2 GLU A 53 -9.191 12.750 9.357 1.00 0.00 O ATOM 0 H GLU A 53 -4.893 9.300 7.652 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.651 11.274 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.048 9.085 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.626 9.981 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.799 10.946 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.126 9.754 8.954 1.00 0.00 H new ATOM 805 N LYS A 54 -4.617 12.294 9.124 1.00 0.00 N ATOM 806 CA LYS A 54 -4.183 13.446 9.904 1.00 0.00 C ATOM 807 C LYS A 54 -3.339 14.392 9.056 1.00 0.00 C ATOM 808 O LYS A 54 -3.488 15.611 9.134 1.00 0.00 O ATOM 809 CB LYS A 54 -3.382 12.989 11.126 1.00 0.00 C ATOM 810 CG LYS A 54 -2.505 14.077 11.720 1.00 0.00 C ATOM 811 CD LYS A 54 -3.333 15.145 12.414 1.00 0.00 C ATOM 812 CE LYS A 54 -3.557 14.811 13.881 1.00 0.00 C ATOM 813 NZ LYS A 54 -3.716 16.037 14.711 1.00 0.00 N ATOM 0 H LYS A 54 -3.934 11.538 9.074 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.072 13.981 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.073 12.633 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.756 12.143 10.844 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.809 13.635 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.907 14.534 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.829 16.108 12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.295 15.245 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.446 14.188 13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.715 14.227 14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.867 15.767 15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.858 16.620 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.535 16.582 14.372 1.00 0.00 H new ATOM 827 N ASN A 55 -2.454 13.822 8.244 1.00 0.00 N ATOM 828 CA ASN A 55 -1.588 14.615 7.380 1.00 0.00 C ATOM 829 C ASN A 55 -2.096 14.603 5.941 1.00 0.00 C ATOM 830 O ASN A 55 -2.401 15.651 5.371 1.00 0.00 O ATOM 831 CB ASN A 55 -0.155 14.081 7.431 1.00 0.00 C ATOM 832 CG ASN A 55 0.479 14.256 8.797 1.00 0.00 C ATOM 833 OD1 ASN A 55 1.502 14.926 8.938 1.00 0.00 O ATOM 834 ND2 ASN A 55 -0.127 13.651 9.812 1.00 0.00 N ATOM 0 H ASN A 55 -2.318 12.814 8.167 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.599 15.643 7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.155 13.024 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.449 14.597 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.254 13.732 10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.973 13.106 9.649 1.00 0.00 H new ATOM 841 N HIS A 56 -2.185 13.411 5.361 1.00 0.00 N ATOM 842 CA HIS A 56 -2.657 13.262 3.989 1.00 0.00 C ATOM 843 C HIS A 56 -4.105 12.780 3.962 1.00 0.00 C ATOM 844 O HIS A 56 -4.390 11.588 4.075 1.00 0.00 O ATOM 845 CB HIS A 56 -1.767 12.281 3.224 1.00 0.00 C ATOM 846 CG HIS A 56 -0.304 12.572 3.357 1.00 0.00 C ATOM 847 ND1 HIS A 56 0.325 13.595 2.679 1.00 0.00 N ATOM 848 CD2 HIS A 56 0.655 11.968 4.097 1.00 0.00 C ATOM 849 CE1 HIS A 56 1.607 13.606 2.995 1.00 0.00 C ATOM 850 NE2 HIS A 56 1.834 12.629 3.854 1.00 0.00 N ATOM 0 H HIS A 56 -1.937 12.534 5.819 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.608 14.238 3.506 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.962 11.270 3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.039 12.303 2.169 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.129 14.242 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.518 11.123 4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.345 14.297 2.615 1.00 0.00 H new ATOM 858 N PRO A 57 -5.042 13.728 3.810 1.00 0.00 N ATOM 859 CA PRO A 57 -6.475 13.424 3.766 1.00 0.00 C ATOM 860 C PRO A 57 -6.873 12.689 2.490 1.00 0.00 C ATOM 861 O PRO A 57 -7.664 11.747 2.527 1.00 0.00 O ATOM 862 CB PRO A 57 -7.132 14.806 3.814 1.00 0.00 C ATOM 863 CG PRO A 57 -6.106 15.733 3.259 1.00 0.00 C ATOM 864 CD PRO A 57 -4.774 15.169 3.670 1.00 0.00 C ATOM 0 HA PRO A 57 -6.777 12.765 4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.048 14.830 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.403 15.080 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.184 15.798 2.174 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.240 16.742 3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.007 15.364 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.424 15.605 4.606 1.00 0.00 H new ATOM 872 N GLU A 58 -6.318 13.125 1.364 1.00 0.00 N ATOM 873 CA GLU A 58 -6.616 12.507 0.077 1.00 0.00 C ATOM 874 C GLU A 58 -6.083 11.078 0.024 1.00 0.00 C ATOM 875 O GLU A 58 -6.708 10.195 -0.562 1.00 0.00 O ATOM 876 CB GLU A 58 -6.011 13.332 -1.062 1.00 0.00 C ATOM 877 CG GLU A 58 -4.492 13.300 -1.096 1.00 0.00 C ATOM 878 CD GLU A 58 -3.866 14.262 -0.104 1.00 0.00 C ATOM 879 OE1 GLU A 58 -4.470 15.323 0.156 1.00 0.00 O ATOM 880 OE2 GLU A 58 -2.772 13.951 0.412 1.00 0.00 O ATOM 0 H GLU A 58 -5.660 13.903 1.317 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.699 12.477 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.395 12.961 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.342 14.366 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.149 12.288 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.149 13.546 -2.101 1.00 0.00 H new ATOM 887 N GLU A 59 -4.925 10.861 0.639 1.00 0.00 N ATOM 888 CA GLU A 59 -4.308 9.540 0.660 1.00 0.00 C ATOM 889 C GLU A 59 -5.094 8.587 1.557 1.00 0.00 C ATOM 890 O GLU A 59 -5.146 7.382 1.306 1.00 0.00 O ATOM 891 CB GLU A 59 -2.860 9.636 1.144 1.00 0.00 C ATOM 892 CG GLU A 59 -1.924 10.283 0.137 1.00 0.00 C ATOM 893 CD GLU A 59 -0.725 10.939 0.794 1.00 0.00 C ATOM 894 OE1 GLU A 59 -0.288 10.450 1.856 1.00 0.00 O ATOM 895 OE2 GLU A 59 -0.223 11.942 0.244 1.00 0.00 O ATOM 0 H GLU A 59 -4.396 11.582 1.129 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.318 9.146 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.833 10.207 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.496 8.635 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.579 9.528 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.473 11.030 -0.437 1.00 0.00 H new ATOM 902 N PHE A 60 -5.702 9.135 2.603 1.00 0.00 N ATOM 903 CA PHE A 60 -6.483 8.335 3.539 1.00 0.00 C ATOM 904 C PHE A 60 -7.819 7.929 2.924 1.00 0.00 C ATOM 905 O PHE A 60 -8.174 6.749 2.906 1.00 0.00 O ATOM 906 CB PHE A 60 -6.721 9.114 4.834 1.00 0.00 C ATOM 907 CG PHE A 60 -7.813 8.536 5.689 1.00 0.00 C ATOM 908 CD1 PHE A 60 -7.559 7.462 6.526 1.00 0.00 C ATOM 909 CD2 PHE A 60 -9.091 9.068 5.657 1.00 0.00 C ATOM 910 CE1 PHE A 60 -8.562 6.928 7.314 1.00 0.00 C ATOM 911 CE2 PHE A 60 -10.098 8.539 6.442 1.00 0.00 C ATOM 912 CZ PHE A 60 -9.833 7.468 7.272 1.00 0.00 C ATOM 0 H PHE A 60 -5.669 10.130 2.824 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.917 7.431 3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.795 9.139 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.971 10.146 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.567 7.037 6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.304 9.907 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.352 6.090 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.091 8.963 6.406 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.618 7.053 7.887 1.00 0.00 H new ATOM 922 N CYS A 61 -8.556 8.913 2.422 1.00 0.00 N ATOM 923 CA CYS A 61 -9.854 8.660 1.807 1.00 0.00 C ATOM 924 C CYS A 61 -9.767 7.511 0.807 1.00 0.00 C ATOM 925 O CYS A 61 -10.421 6.481 0.973 1.00 0.00 O ATOM 926 CB CYS A 61 -10.366 9.921 1.109 1.00 0.00 C ATOM 927 SG CYS A 61 -12.137 9.895 0.744 1.00 0.00 S ATOM 0 H CYS A 61 -8.277 9.894 2.429 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.553 8.380 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.148 10.785 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.816 10.057 0.178 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.475 11.004 0.156 1.00 0.00 H new ATOM 933 N GLU A 62 -8.957 7.696 -0.230 1.00 0.00 N ATOM 934 CA GLU A 62 -8.787 6.675 -1.257 1.00 0.00 C ATOM 935 C GLU A 62 -8.620 5.294 -0.630 1.00 0.00 C ATOM 936 O GLU A 62 -9.158 4.304 -1.127 1.00 0.00 O ATOM 937 CB GLU A 62 -7.575 6.998 -2.134 1.00 0.00 C ATOM 938 CG GLU A 62 -7.767 8.227 -3.007 1.00 0.00 C ATOM 939 CD GLU A 62 -9.024 8.153 -3.851 1.00 0.00 C ATOM 940 OE1 GLU A 62 -8.986 7.500 -4.915 1.00 0.00 O ATOM 941 OE2 GLU A 62 -10.046 8.748 -3.448 1.00 0.00 O ATOM 0 H GLU A 62 -8.409 8.543 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.684 6.668 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.705 7.148 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.359 6.140 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.810 9.114 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.902 8.343 -3.660 1.00 0.00 H new ATOM 948 N PHE A 63 -7.870 5.235 0.466 1.00 0.00 N ATOM 949 CA PHE A 63 -7.630 3.976 1.161 1.00 0.00 C ATOM 950 C PHE A 63 -8.918 3.444 1.783 1.00 0.00 C ATOM 951 O PHE A 63 -9.326 2.313 1.522 1.00 0.00 O ATOM 952 CB PHE A 63 -6.566 4.163 2.245 1.00 0.00 C ATOM 953 CG PHE A 63 -6.613 3.114 3.319 1.00 0.00 C ATOM 954 CD1 PHE A 63 -6.060 1.861 3.107 1.00 0.00 C ATOM 955 CD2 PHE A 63 -7.212 3.380 4.540 1.00 0.00 C ATOM 956 CE1 PHE A 63 -6.103 0.894 4.094 1.00 0.00 C ATOM 957 CE2 PHE A 63 -7.258 2.417 5.530 1.00 0.00 C ATOM 958 CZ PHE A 63 -6.702 1.173 5.307 1.00 0.00 C ATOM 0 H PHE A 63 -7.418 6.044 0.892 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.272 3.249 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.580 4.152 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.693 5.145 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.590 1.638 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.648 4.352 4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.669 -0.079 3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.728 2.637 6.477 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.735 0.419 6.080 1.00 0.00 H new ATOM 968 N VAL A 64 -9.553 4.269 2.610 1.00 0.00 N ATOM 969 CA VAL A 64 -10.795 3.884 3.269 1.00 0.00 C ATOM 970 C VAL A 64 -11.925 3.716 2.260 1.00 0.00 C ATOM 971 O VAL A 64 -12.467 2.623 2.094 1.00 0.00 O ATOM 972 CB VAL A 64 -11.215 4.923 4.326 1.00 0.00 C ATOM 973 CG1 VAL A 64 -12.553 4.545 4.944 1.00 0.00 C ATOM 974 CG2 VAL A 64 -10.143 5.057 5.397 1.00 0.00 C ATOM 0 H VAL A 64 -9.227 5.208 2.839 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.608 2.930 3.762 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.328 5.890 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.834 5.290 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.315 4.505 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.470 3.569 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.457 5.795 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.995 4.094 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.208 5.378 4.938 1.00 0.00 H new ATOM 984 N LYS A 65 -12.275 4.806 1.586 1.00 0.00 N ATOM 985 CA LYS A 65 -13.340 4.782 0.590 1.00 0.00 C ATOM 986 C LYS A 65 -12.796 4.382 -0.778 1.00 0.00 C ATOM 987 O LYS A 65 -12.148 5.180 -1.456 1.00 0.00 O ATOM 988 CB LYS A 65 -14.016 6.152 0.502 1.00 0.00 C ATOM 989 CG LYS A 65 -14.562 6.647 1.829 1.00 0.00 C ATOM 990 CD LYS A 65 -15.754 5.822 2.284 1.00 0.00 C ATOM 991 CE LYS A 65 -17.009 6.176 1.501 1.00 0.00 C ATOM 992 NZ LYS A 65 -18.237 5.633 2.144 1.00 0.00 N ATOM 0 H LYS A 65 -11.836 5.718 1.711 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.076 4.040 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.298 6.878 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.831 6.100 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.778 6.603 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.856 7.692 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.533 4.762 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.928 5.988 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.092 7.260 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.927 5.784 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.070 5.896 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.170 4.597 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.330 6.026 3.102 1.00 0.00 H new ATOM 1006 N SER A 66 -13.064 3.143 -1.178 1.00 0.00 N ATOM 1007 CA SER A 66 -12.599 2.638 -2.465 1.00 0.00 C ATOM 1008 C SER A 66 -13.518 3.096 -3.593 1.00 0.00 C ATOM 1009 O SER A 66 -13.871 2.316 -4.476 1.00 0.00 O ATOM 1010 CB SER A 66 -12.526 1.110 -2.440 1.00 0.00 C ATOM 1011 OG SER A 66 -12.004 0.605 -3.657 1.00 0.00 O ATOM 0 H SER A 66 -13.600 2.471 -0.630 1.00 0.00 H new ATOM 0 HA SER A 66 -11.602 3.040 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.899 0.786 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.520 0.698 -2.268 1.00 0.00 H new ATOM 0 HG SER A 66 -12.553 0.922 -4.405 1.00 0.00 H new ATOM 1017 N ASN A 67 -13.903 4.368 -3.554 1.00 0.00 N ATOM 1018 CA ASN A 67 -14.782 4.931 -4.572 1.00 0.00 C ATOM 1019 C ASN A 67 -14.105 6.093 -5.293 1.00 0.00 C ATOM 1020 O ASN A 67 -14.255 6.258 -6.504 1.00 0.00 O ATOM 1021 CB ASN A 67 -16.093 5.403 -3.940 1.00 0.00 C ATOM 1022 CG ASN A 67 -17.262 5.324 -4.903 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -17.548 4.265 -5.463 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -17.943 6.446 -5.101 1.00 0.00 N ATOM 0 H ASN A 67 -13.620 5.027 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.999 4.150 -5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.309 4.796 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.978 6.431 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -18.739 6.454 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -17.670 7.301 -4.615 1.00 0.00 H new ATOM 1031 N SER A 68 -13.360 6.896 -4.540 1.00 0.00 N ATOM 1032 CA SER A 68 -12.662 8.044 -5.106 1.00 0.00 C ATOM 1033 C SER A 68 -13.652 9.052 -5.682 1.00 0.00 C ATOM 1034 O SER A 68 -13.471 9.553 -6.791 1.00 0.00 O ATOM 1035 CB SER A 68 -11.688 7.590 -6.195 1.00 0.00 C ATOM 1036 OG SER A 68 -10.935 8.682 -6.694 1.00 0.00 O ATOM 0 H SER A 68 -13.224 6.773 -3.537 1.00 0.00 H new ATOM 0 HA SER A 68 -12.102 8.527 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.014 6.834 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.241 7.123 -7.010 1.00 0.00 H new ATOM 0 HG SER A 68 -11.541 9.412 -6.940 1.00 0.00 H new ATOM 1042 N GLY A 69 -14.702 9.343 -4.919 1.00 0.00 N ATOM 1043 CA GLY A 69 -15.706 10.289 -5.369 1.00 0.00 C ATOM 1044 C GLY A 69 -15.393 11.711 -4.948 1.00 0.00 C ATOM 1045 O GLY A 69 -14.369 11.985 -4.322 1.00 0.00 O ATOM 0 H GLY A 69 -14.875 8.940 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.782 10.244 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.678 10.000 -4.969 1.00 0.00 H new ATOM 1049 N PRO A 70 -16.290 12.646 -5.295 1.00 0.00 N ATOM 1050 CA PRO A 70 -16.126 14.064 -4.959 1.00 0.00 C ATOM 1051 C PRO A 70 -16.283 14.328 -3.465 1.00 0.00 C ATOM 1052 O PRO A 70 -17.214 13.831 -2.832 1.00 0.00 O ATOM 1053 CB PRO A 70 -17.250 14.746 -5.743 1.00 0.00 C ATOM 1054 CG PRO A 70 -18.284 13.689 -5.921 1.00 0.00 C ATOM 1055 CD PRO A 70 -17.534 12.391 -6.041 1.00 0.00 C ATOM 0 HA PRO A 70 -15.130 14.430 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.649 15.602 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.894 15.117 -6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.969 13.667 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.884 13.876 -6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.096 11.561 -5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.334 12.137 -7.082 1.00 0.00 H new ATOM 1063 N SER A 71 -15.366 15.113 -2.909 1.00 0.00 N ATOM 1064 CA SER A 71 -15.401 15.440 -1.488 1.00 0.00 C ATOM 1065 C SER A 71 -15.283 16.946 -1.275 1.00 0.00 C ATOM 1066 O SER A 71 -14.595 17.638 -2.025 1.00 0.00 O ATOM 1067 CB SER A 71 -14.272 14.718 -0.749 1.00 0.00 C ATOM 1068 OG SER A 71 -14.508 13.322 -0.697 1.00 0.00 O ATOM 0 H SER A 71 -14.590 15.534 -3.420 1.00 0.00 H new ATOM 0 HA SER A 71 -16.358 15.108 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.323 14.911 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.184 15.113 0.263 1.00 0.00 H new ATOM 0 HG SER A 71 -13.772 12.883 -0.221 1.00 0.00 H new ATOM 1074 N SER A 72 -15.959 17.446 -0.245 1.00 0.00 N ATOM 1075 CA SER A 72 -15.934 18.870 0.066 1.00 0.00 C ATOM 1076 C SER A 72 -14.499 19.383 0.151 1.00 0.00 C ATOM 1077 O SER A 72 -14.161 20.415 -0.427 1.00 0.00 O ATOM 1078 CB SER A 72 -16.662 19.139 1.384 1.00 0.00 C ATOM 1079 OG SER A 72 -17.155 20.466 1.434 1.00 0.00 O ATOM 0 H SER A 72 -16.530 16.886 0.388 1.00 0.00 H new ATOM 0 HA SER A 72 -16.444 19.401 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.488 18.437 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.983 18.969 2.219 1.00 0.00 H new ATOM 0 HG SER A 72 -17.617 20.611 2.286 1.00 0.00 H new ATOM 1085 N GLY A 73 -13.658 18.652 0.877 1.00 0.00 N ATOM 1086 CA GLY A 73 -12.270 19.047 1.026 1.00 0.00 C ATOM 1087 C GLY A 73 -11.705 19.667 -0.237 1.00 0.00 C ATOM 1088 O GLY A 73 -11.993 19.174 -1.327 1.00 0.00 O ATOM 0 H GLY A 73 -13.914 17.793 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.184 19.759 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.674 18.175 1.297 1.00 0.00 H new TER 1092 GLY A 73 HETATM 1093 ZN ZN A 201 3.416 11.459 5.103 1.00 0.00 ZN