USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 540 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 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 52 TYR OH : rot 180:sc= -0.202 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.16) 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 37:sc= 1.04 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 174:sc= 0 (180deg=-0.0598) USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.99 USER MOD Single : A 14 ASN : amide:sc=-0.00503 X(o=-0.005,f=-0.23) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.596) USER MOD Single : A 24 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.102 (180deg=-0.89) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 90:sc= -0.0282 USER MOD Single : A 37 CYS SG : rot 80:sc= -1.37 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0725) USER MOD Single : A 54 SER OG : rot -54:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 41:sc= 0.768 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.239) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.108 31.032 12.544 1.00 0.00 N ATOM 2 CA GLY A 1 12.654 30.001 13.458 1.00 0.00 C ATOM 3 C GLY A 1 11.190 29.657 13.264 1.00 0.00 C ATOM 4 O GLY A 1 10.416 29.647 14.221 1.00 0.00 O ATOM 0 H1 GLY A 1 14.114 31.231 12.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.983 30.707 11.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.553 31.899 12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.257 29.104 13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.813 30.334 14.484 1.00 0.00 H new ATOM 8 N SER A 2 10.810 29.377 12.022 1.00 0.00 N ATOM 9 CA SER A 2 9.428 29.037 11.704 1.00 0.00 C ATOM 10 C SER A 2 9.329 27.613 11.166 1.00 0.00 C ATOM 11 O SER A 2 10.145 27.188 10.349 1.00 0.00 O ATOM 12 CB SER A 2 8.861 30.021 10.679 1.00 0.00 C ATOM 13 OG SER A 2 7.514 29.712 10.366 1.00 0.00 O ATOM 0 H SER A 2 11.439 29.379 11.219 1.00 0.00 H new ATOM 0 HA SER A 2 8.844 29.102 12.622 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.923 31.036 11.072 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.464 29.993 9.771 1.00 0.00 H new ATOM 0 HG SER A 2 7.174 30.356 9.710 1.00 0.00 H new ATOM 19 N SER A 3 8.323 26.880 11.632 1.00 0.00 N ATOM 20 CA SER A 3 8.118 25.501 11.202 1.00 0.00 C ATOM 21 C SER A 3 7.787 25.440 9.714 1.00 0.00 C ATOM 22 O SER A 3 6.641 25.638 9.312 1.00 0.00 O ATOM 23 CB SER A 3 6.994 24.854 12.013 1.00 0.00 C ATOM 24 OG SER A 3 7.131 23.444 12.039 1.00 0.00 O ATOM 0 H SER A 3 7.637 27.218 12.307 1.00 0.00 H new ATOM 0 HA SER A 3 9.043 24.951 11.374 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.006 25.243 13.031 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.029 25.121 11.581 1.00 0.00 H new ATOM 0 HG SER A 3 6.402 23.054 12.565 1.00 0.00 H new ATOM 30 N GLY A 4 8.801 25.164 8.899 1.00 0.00 N ATOM 31 CA GLY A 4 8.600 25.082 7.465 1.00 0.00 C ATOM 32 C GLY A 4 9.141 23.795 6.876 1.00 0.00 C ATOM 33 O GLY A 4 9.993 23.820 5.987 1.00 0.00 O ATOM 0 H GLY A 4 9.759 24.996 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.535 25.159 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.086 25.931 6.984 1.00 0.00 H new ATOM 37 N SER A 5 8.649 22.665 7.373 1.00 0.00 N ATOM 38 CA SER A 5 9.093 21.361 6.895 1.00 0.00 C ATOM 39 C SER A 5 8.106 20.789 5.882 1.00 0.00 C ATOM 40 O SER A 5 7.071 20.234 6.252 1.00 0.00 O ATOM 41 CB SER A 5 9.257 20.392 8.067 1.00 0.00 C ATOM 42 OG SER A 5 8.014 20.144 8.701 1.00 0.00 O ATOM 0 H SER A 5 7.942 22.626 8.107 1.00 0.00 H new ATOM 0 HA SER A 5 10.057 21.491 6.404 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.681 19.453 7.710 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.961 20.805 8.789 1.00 0.00 H new ATOM 0 HG SER A 5 7.305 20.103 8.026 1.00 0.00 H new ATOM 48 N SER A 6 8.434 20.928 4.601 1.00 0.00 N ATOM 49 CA SER A 6 7.576 20.429 3.533 1.00 0.00 C ATOM 50 C SER A 6 6.918 19.113 3.936 1.00 0.00 C ATOM 51 O SER A 6 5.693 18.992 3.933 1.00 0.00 O ATOM 52 CB SER A 6 8.384 20.236 2.249 1.00 0.00 C ATOM 53 OG SER A 6 8.486 21.449 1.523 1.00 0.00 O ATOM 0 H SER A 6 9.288 21.382 4.278 1.00 0.00 H new ATOM 0 HA SER A 6 6.794 21.167 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.381 19.871 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.910 19.476 1.628 1.00 0.00 H new ATOM 0 HG SER A 6 9.009 21.299 0.708 1.00 0.00 H new ATOM 59 N GLY A 7 7.741 18.128 4.282 1.00 0.00 N ATOM 60 CA GLY A 7 7.222 16.833 4.682 1.00 0.00 C ATOM 61 C GLY A 7 7.695 15.713 3.777 1.00 0.00 C ATOM 62 O GLY A 7 8.629 15.891 2.996 1.00 0.00 O ATOM 0 H GLY A 7 8.758 18.204 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.530 16.623 5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.132 16.864 4.677 1.00 0.00 H new ATOM 66 N MET A 8 7.049 14.557 3.881 1.00 0.00 N ATOM 67 CA MET A 8 7.409 13.404 3.065 1.00 0.00 C ATOM 68 C MET A 8 6.183 12.550 2.757 1.00 0.00 C ATOM 69 O MET A 8 5.673 11.842 3.625 1.00 0.00 O ATOM 70 CB MET A 8 8.468 12.559 3.777 1.00 0.00 C ATOM 71 CG MET A 8 8.914 11.345 2.978 1.00 0.00 C ATOM 72 SD MET A 8 9.560 11.783 1.352 1.00 0.00 S ATOM 73 CE MET A 8 11.137 12.505 1.798 1.00 0.00 C ATOM 0 H MET A 8 6.273 14.394 4.523 1.00 0.00 H new ATOM 0 HA MET A 8 7.819 13.771 2.124 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.336 13.183 3.990 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.071 12.227 4.736 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.681 10.809 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.071 10.664 2.859 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.703 12.729 0.894 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.971 13.425 2.359 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.698 11.802 2.413 1.00 0.00 H new ATOM 83 N VAL A 9 5.714 12.623 1.515 1.00 0.00 N ATOM 84 CA VAL A 9 4.548 11.856 1.093 1.00 0.00 C ATOM 85 C VAL A 9 4.703 10.381 1.445 1.00 0.00 C ATOM 86 O VAL A 9 5.724 9.763 1.143 1.00 0.00 O ATOM 87 CB VAL A 9 4.308 11.988 -0.423 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.145 11.109 -0.858 1.00 0.00 C ATOM 89 CG2 VAL A 9 4.058 13.441 -0.798 1.00 0.00 C ATOM 0 H VAL A 9 6.123 13.205 0.784 1.00 0.00 H new ATOM 0 HA VAL A 9 3.690 12.265 1.627 1.00 0.00 H new ATOM 0 HB VAL A 9 5.203 11.650 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.990 11.215 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.369 10.068 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.242 11.413 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.890 13.516 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.179 13.808 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.925 14.042 -0.523 1.00 0.00 H new ATOM 99 N PHE A 10 3.682 9.821 2.085 1.00 0.00 N ATOM 100 CA PHE A 10 3.705 8.417 2.480 1.00 0.00 C ATOM 101 C PHE A 10 2.599 7.636 1.775 1.00 0.00 C ATOM 102 O PHE A 10 1.652 8.219 1.247 1.00 0.00 O ATOM 103 CB PHE A 10 3.548 8.289 3.996 1.00 0.00 C ATOM 104 CG PHE A 10 4.634 8.979 4.772 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.946 8.946 4.330 1.00 0.00 C ATOM 106 CD2 PHE A 10 4.341 9.661 5.941 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.947 9.580 5.042 1.00 0.00 C ATOM 108 CE2 PHE A 10 5.338 10.297 6.658 1.00 0.00 C ATOM 109 CZ PHE A 10 6.642 10.257 6.206 1.00 0.00 C ATOM 0 H PHE A 10 2.829 10.317 2.341 1.00 0.00 H new ATOM 0 HA PHE A 10 4.667 7.998 2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.583 8.703 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.536 7.233 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.190 8.419 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.322 9.697 6.297 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.967 9.546 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.097 10.824 7.570 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.423 10.755 6.762 1.00 0.00 H new ATOM 119 N PHE A 11 2.727 6.313 1.771 1.00 0.00 N ATOM 120 CA PHE A 11 1.740 5.452 1.131 1.00 0.00 C ATOM 121 C PHE A 11 1.406 4.255 2.017 1.00 0.00 C ATOM 122 O PHE A 11 2.065 4.014 3.029 1.00 0.00 O ATOM 123 CB PHE A 11 2.258 4.968 -0.225 1.00 0.00 C ATOM 124 CG PHE A 11 2.583 6.084 -1.176 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.831 6.686 -1.159 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.640 6.532 -2.087 1.00 0.00 C ATOM 127 CE1 PHE A 11 4.133 7.713 -2.033 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.936 7.558 -2.964 1.00 0.00 C ATOM 129 CZ PHE A 11 3.183 8.151 -2.936 1.00 0.00 C ATOM 0 H PHE A 11 3.504 5.814 2.204 1.00 0.00 H new ATOM 0 HA PHE A 11 0.831 6.034 0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.151 4.363 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.509 4.320 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.577 6.349 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.662 6.074 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.110 8.173 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.193 7.896 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.415 8.955 -3.618 1.00 0.00 H new ATOM 139 N THR A 12 0.377 3.508 1.629 1.00 0.00 N ATOM 140 CA THR A 12 -0.046 2.338 2.387 1.00 0.00 C ATOM 141 C THR A 12 -0.157 1.111 1.489 1.00 0.00 C ATOM 142 O THR A 12 -0.957 1.083 0.554 1.00 0.00 O ATOM 143 CB THR A 12 -1.402 2.577 3.079 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.338 3.759 3.885 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.785 1.386 3.945 1.00 0.00 C ATOM 0 H THR A 12 -0.179 3.693 0.794 1.00 0.00 H new ATOM 0 HA THR A 12 0.716 2.162 3.146 1.00 0.00 H new ATOM 0 HB THR A 12 -2.162 2.704 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.056 3.740 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.746 1.578 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.861 0.494 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.023 1.232 4.709 1.00 0.00 H new ATOM 153 N CYS A 13 0.651 0.096 1.779 1.00 0.00 N ATOM 154 CA CYS A 13 0.644 -1.135 0.998 1.00 0.00 C ATOM 155 C CYS A 13 -0.484 -2.058 1.448 1.00 0.00 C ATOM 156 O CYS A 13 -0.444 -2.615 2.544 1.00 0.00 O ATOM 157 CB CYS A 13 1.988 -1.853 1.128 1.00 0.00 C ATOM 158 SG CYS A 13 2.156 -3.317 0.057 1.00 0.00 S ATOM 0 H CYS A 13 1.319 0.102 2.550 1.00 0.00 H new ATOM 0 HA CYS A 13 0.479 -0.872 -0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.787 -1.150 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.126 -2.157 2.165 1.00 0.00 H new ATOM 163 N ASN A 14 -1.490 -2.215 0.593 1.00 0.00 N ATOM 164 CA ASN A 14 -2.630 -3.070 0.902 1.00 0.00 C ATOM 165 C ASN A 14 -2.208 -4.535 0.970 1.00 0.00 C ATOM 166 O ASN A 14 -2.796 -5.327 1.706 1.00 0.00 O ATOM 167 CB ASN A 14 -3.727 -2.892 -0.149 1.00 0.00 C ATOM 168 CG ASN A 14 -4.865 -3.878 0.030 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.309 -4.135 1.150 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.343 -4.437 -1.076 1.00 0.00 N ATOM 0 H ASN A 14 -1.538 -1.761 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.019 -2.777 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.118 -1.876 -0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.297 -3.014 -1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.108 -5.109 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.945 -4.195 -1.983 1.00 0.00 H new ATOM 177 N ALA A 15 -1.186 -4.887 0.197 1.00 0.00 N ATOM 178 CA ALA A 15 -0.684 -6.255 0.171 1.00 0.00 C ATOM 179 C ALA A 15 -0.303 -6.726 1.571 1.00 0.00 C ATOM 180 O ALA A 15 -0.817 -7.734 2.059 1.00 0.00 O ATOM 181 CB ALA A 15 0.509 -6.362 -0.766 1.00 0.00 C ATOM 0 H ALA A 15 -0.690 -4.244 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.481 -6.901 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.873 -7.389 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.207 -6.075 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.303 -5.699 -0.422 1.00 0.00 H new ATOM 187 N CYS A 16 0.601 -5.993 2.212 1.00 0.00 N ATOM 188 CA CYS A 16 1.052 -6.336 3.555 1.00 0.00 C ATOM 189 C CYS A 16 0.372 -5.455 4.599 1.00 0.00 C ATOM 190 O CYS A 16 -0.138 -5.947 5.605 1.00 0.00 O ATOM 191 CB CYS A 16 2.571 -6.189 3.658 1.00 0.00 C ATOM 192 SG CYS A 16 3.191 -4.540 3.194 1.00 0.00 S ATOM 0 H CYS A 16 1.036 -5.157 1.822 1.00 0.00 H new ATOM 0 HA CYS A 16 0.780 -7.374 3.749 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.878 -6.406 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.042 -6.936 3.019 1.00 0.00 H new ATOM 197 N GLY A 17 0.369 -4.148 4.351 1.00 0.00 N ATOM 198 CA GLY A 17 -0.251 -3.219 5.278 1.00 0.00 C ATOM 199 C GLY A 17 0.767 -2.474 6.119 1.00 0.00 C ATOM 200 O GLY A 17 0.620 -2.374 7.337 1.00 0.00 O ATOM 0 H GLY A 17 0.785 -3.717 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.853 -2.501 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.931 -3.764 5.933 1.00 0.00 H new ATOM 204 N GLU A 18 1.802 -1.952 5.469 1.00 0.00 N ATOM 205 CA GLU A 18 2.849 -1.215 6.166 1.00 0.00 C ATOM 206 C GLU A 18 3.050 0.164 5.544 1.00 0.00 C ATOM 207 O GLU A 18 2.921 0.335 4.332 1.00 0.00 O ATOM 208 CB GLU A 18 4.163 -1.998 6.134 1.00 0.00 C ATOM 209 CG GLU A 18 4.197 -3.170 7.100 1.00 0.00 C ATOM 210 CD GLU A 18 4.348 -2.732 8.544 1.00 0.00 C ATOM 211 OE1 GLU A 18 5.203 -1.863 8.814 1.00 0.00 O ATOM 212 OE2 GLU A 18 3.611 -3.258 9.403 1.00 0.00 O ATOM 0 H GLU A 18 1.938 -2.026 4.461 1.00 0.00 H new ATOM 0 HA GLU A 18 2.538 -1.085 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.332 -2.367 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.985 -1.321 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.280 -3.750 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.024 -3.830 6.836 1.00 0.00 H new ATOM 219 N SER A 19 3.367 1.145 6.384 1.00 0.00 N ATOM 220 CA SER A 19 3.582 2.510 5.918 1.00 0.00 C ATOM 221 C SER A 19 5.015 2.699 5.432 1.00 0.00 C ATOM 222 O SER A 19 5.943 2.825 6.232 1.00 0.00 O ATOM 223 CB SER A 19 3.275 3.507 7.037 1.00 0.00 C ATOM 224 OG SER A 19 1.970 3.309 7.554 1.00 0.00 O ATOM 0 H SER A 19 3.480 1.020 7.390 1.00 0.00 H new ATOM 0 HA SER A 19 2.907 2.693 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.007 3.397 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.368 4.524 6.657 1.00 0.00 H new ATOM 0 HG SER A 19 1.799 3.957 8.269 1.00 0.00 H new ATOM 230 N VAL A 20 5.189 2.716 4.115 1.00 0.00 N ATOM 231 CA VAL A 20 6.509 2.890 3.520 1.00 0.00 C ATOM 232 C VAL A 20 6.737 4.339 3.102 1.00 0.00 C ATOM 233 O VAL A 20 5.797 5.049 2.745 1.00 0.00 O ATOM 234 CB VAL A 20 6.697 1.978 2.293 1.00 0.00 C ATOM 235 CG1 VAL A 20 8.061 2.207 1.661 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.519 0.519 2.683 1.00 0.00 C ATOM 0 H VAL A 20 4.432 2.611 3.439 1.00 0.00 H new ATOM 0 HA VAL A 20 7.238 2.615 4.282 1.00 0.00 H new ATOM 0 HB VAL A 20 5.935 2.229 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.175 1.554 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.145 3.247 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.841 1.985 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.655 -0.112 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.257 0.252 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.517 0.370 3.085 1.00 0.00 H new ATOM 246 N LYS A 21 7.992 4.772 3.148 1.00 0.00 N ATOM 247 CA LYS A 21 8.346 6.135 2.773 1.00 0.00 C ATOM 248 C LYS A 21 8.495 6.262 1.260 1.00 0.00 C ATOM 249 O LYS A 21 9.083 5.399 0.609 1.00 0.00 O ATOM 250 CB LYS A 21 9.648 6.554 3.461 1.00 0.00 C ATOM 251 CG LYS A 21 9.577 6.505 4.977 1.00 0.00 C ATOM 252 CD LYS A 21 10.637 7.389 5.614 1.00 0.00 C ATOM 253 CE LYS A 21 10.175 7.934 6.956 1.00 0.00 C ATOM 254 NZ LYS A 21 10.356 6.940 8.051 1.00 0.00 N ATOM 0 H LYS A 21 8.782 4.197 3.442 1.00 0.00 H new ATOM 0 HA LYS A 21 7.542 6.795 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.454 5.903 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.904 7.567 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.589 6.826 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.708 5.477 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.556 6.818 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.872 8.217 4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.734 8.840 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.124 8.216 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.029 7.350 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.803 6.085 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.362 6.690 8.130 1.00 0.00 H new ATOM 268 N LYS A 22 7.959 7.345 0.707 1.00 0.00 N ATOM 269 CA LYS A 22 8.034 7.587 -0.729 1.00 0.00 C ATOM 270 C LYS A 22 9.455 7.383 -1.242 1.00 0.00 C ATOM 271 O LYS A 22 9.660 6.892 -2.353 1.00 0.00 O ATOM 272 CB LYS A 22 7.562 9.007 -1.053 1.00 0.00 C ATOM 273 CG LYS A 22 7.741 9.389 -2.512 1.00 0.00 C ATOM 274 CD LYS A 22 7.845 10.895 -2.685 1.00 0.00 C ATOM 275 CE LYS A 22 9.236 11.401 -2.336 1.00 0.00 C ATOM 276 NZ LYS A 22 10.274 10.846 -3.248 1.00 0.00 N ATOM 0 H LYS A 22 7.468 8.069 1.232 1.00 0.00 H new ATOM 0 HA LYS A 22 7.381 6.871 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.509 9.100 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.111 9.714 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.639 8.914 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.900 9.012 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.608 11.161 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.108 11.387 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.250 12.490 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.474 11.129 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.104 11.473 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.556 9.901 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.888 10.777 -4.211 1.00 0.00 H new ATOM 290 N ILE A 23 10.434 7.761 -0.426 1.00 0.00 N ATOM 291 CA ILE A 23 11.836 7.617 -0.798 1.00 0.00 C ATOM 292 C ILE A 23 12.286 6.163 -0.691 1.00 0.00 C ATOM 293 O ILE A 23 13.196 5.732 -1.399 1.00 0.00 O ATOM 294 CB ILE A 23 12.745 8.490 0.087 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.497 8.188 1.566 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.511 9.964 -0.205 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.656 8.563 2.462 1.00 0.00 C ATOM 0 H ILE A 23 10.282 8.169 0.496 1.00 0.00 H new ATOM 0 HA ILE A 23 11.924 7.947 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 23 13.784 8.255 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.607 8.725 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.289 7.124 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.161 10.568 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.734 10.167 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.470 10.215 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.410 8.321 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.544 8.007 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.851 9.632 2.376 1.00 0.00 H new ATOM 309 N GLN A 24 11.641 5.414 0.197 1.00 0.00 N ATOM 310 CA GLN A 24 11.974 4.008 0.395 1.00 0.00 C ATOM 311 C GLN A 24 10.858 3.106 -0.121 1.00 0.00 C ATOM 312 O GLN A 24 10.449 2.160 0.552 1.00 0.00 O ATOM 313 CB GLN A 24 12.230 3.726 1.876 1.00 0.00 C ATOM 314 CG GLN A 24 13.459 4.431 2.426 1.00 0.00 C ATOM 315 CD GLN A 24 14.749 3.719 2.068 1.00 0.00 C ATOM 316 OE1 GLN A 24 15.066 3.538 0.892 1.00 0.00 O ATOM 317 NE2 GLN A 24 15.501 3.309 3.083 1.00 0.00 N ATOM 0 H GLN A 24 10.885 5.757 0.790 1.00 0.00 H new ATOM 0 HA GLN A 24 12.881 3.793 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.357 4.033 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.344 2.651 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.492 5.450 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.377 4.503 3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.200 3.480 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.380 2.823 2.903 1.00 0.00 H new ATOM 326 N VAL A 25 10.368 3.405 -1.320 1.00 0.00 N ATOM 327 CA VAL A 25 9.299 2.621 -1.927 1.00 0.00 C ATOM 328 C VAL A 25 9.862 1.449 -2.723 1.00 0.00 C ATOM 329 O VAL A 25 9.550 0.291 -2.446 1.00 0.00 O ATOM 330 CB VAL A 25 8.426 3.486 -2.856 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.351 2.639 -3.520 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.805 4.638 -2.081 1.00 0.00 C ATOM 0 H VAL A 25 10.695 4.185 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 25 8.683 2.241 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 25 9.060 3.903 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.744 3.267 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.821 1.851 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.717 2.191 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.191 5.239 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.184 4.243 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.594 5.259 -1.657 1.00 0.00 H new ATOM 342 N GLU A 26 10.693 1.758 -3.714 1.00 0.00 N ATOM 343 CA GLU A 26 11.298 0.728 -4.551 1.00 0.00 C ATOM 344 C GLU A 26 11.726 -0.473 -3.712 1.00 0.00 C ATOM 345 O GLU A 26 11.248 -1.589 -3.916 1.00 0.00 O ATOM 346 CB GLU A 26 12.505 1.296 -5.302 1.00 0.00 C ATOM 347 CG GLU A 26 12.865 0.513 -6.554 1.00 0.00 C ATOM 348 CD GLU A 26 12.094 0.978 -7.774 1.00 0.00 C ATOM 349 OE1 GLU A 26 10.972 0.477 -7.993 1.00 0.00 O ATOM 350 OE2 GLU A 26 12.614 1.842 -8.510 1.00 0.00 O ATOM 0 H GLU A 26 10.962 2.711 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 26 10.552 0.397 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.298 2.330 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.365 1.311 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.934 0.611 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.667 -0.546 -6.385 1.00 0.00 H new ATOM 357 N LYS A 27 12.631 -0.235 -2.768 1.00 0.00 N ATOM 358 CA LYS A 27 13.124 -1.295 -1.897 1.00 0.00 C ATOM 359 C LYS A 27 11.973 -2.146 -1.369 1.00 0.00 C ATOM 360 O LYS A 27 11.945 -3.361 -1.564 1.00 0.00 O ATOM 361 CB LYS A 27 13.910 -0.698 -0.727 1.00 0.00 C ATOM 362 CG LYS A 27 15.127 0.102 -1.158 1.00 0.00 C ATOM 363 CD LYS A 27 16.327 -0.797 -1.403 1.00 0.00 C ATOM 364 CE LYS A 27 17.153 -0.982 -0.139 1.00 0.00 C ATOM 365 NZ LYS A 27 16.658 -2.120 0.685 1.00 0.00 N ATOM 0 H LYS A 27 13.038 0.683 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 27 13.785 -1.934 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.249 -0.054 -0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.230 -1.504 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.895 0.657 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.372 0.836 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.988 -1.768 -1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.951 -0.367 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.195 -1.155 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.124 -0.066 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.434 -2.487 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.884 -1.794 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.310 -2.875 0.060 1.00 0.00 H new ATOM 379 N HIS A 28 11.024 -1.498 -0.701 1.00 0.00 N ATOM 380 CA HIS A 28 9.869 -2.195 -0.146 1.00 0.00 C ATOM 381 C HIS A 28 9.225 -3.099 -1.193 1.00 0.00 C ATOM 382 O HIS A 28 8.937 -4.267 -0.928 1.00 0.00 O ATOM 383 CB HIS A 28 8.842 -1.190 0.376 1.00 0.00 C ATOM 384 CG HIS A 28 7.579 -1.825 0.871 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.391 -2.203 2.183 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.437 -2.147 0.220 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.188 -2.732 2.319 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.588 -2.709 1.142 1.00 0.00 N ATOM 0 H HIS A 28 11.032 -0.492 -0.531 1.00 0.00 H new ATOM 0 HA HIS A 28 10.214 -2.815 0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.290 -0.613 1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.597 -0.487 -0.420 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.074 -2.092 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.232 -1.991 -0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.767 -3.117 3.236 1.00 0.00 H new ATOM 396 N VAL A 29 9.002 -2.552 -2.384 1.00 0.00 N ATOM 397 CA VAL A 29 8.393 -3.309 -3.471 1.00 0.00 C ATOM 398 C VAL A 29 9.215 -4.549 -3.806 1.00 0.00 C ATOM 399 O VAL A 29 8.670 -5.637 -3.989 1.00 0.00 O ATOM 400 CB VAL A 29 8.244 -2.448 -4.740 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.638 -3.264 -5.871 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.401 -1.215 -4.450 1.00 0.00 C ATOM 0 H VAL A 29 9.234 -1.587 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 29 7.404 -3.614 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 29 9.235 -2.118 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.540 -2.639 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.284 -4.113 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.654 -3.626 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.306 -0.618 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.411 -1.522 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.881 -0.620 -3.673 1.00 0.00 H new ATOM 412 N SER A 30 10.531 -4.376 -3.883 1.00 0.00 N ATOM 413 CA SER A 30 11.429 -5.481 -4.198 1.00 0.00 C ATOM 414 C SER A 30 11.094 -6.710 -3.359 1.00 0.00 C ATOM 415 O SER A 30 10.796 -7.777 -3.893 1.00 0.00 O ATOM 416 CB SER A 30 12.883 -5.068 -3.961 1.00 0.00 C ATOM 417 OG SER A 30 13.217 -3.919 -4.720 1.00 0.00 O ATOM 0 H SER A 30 10.998 -3.482 -3.732 1.00 0.00 H new ATOM 0 HA SER A 30 11.298 -5.734 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.039 -4.866 -2.901 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.546 -5.890 -4.229 1.00 0.00 H new ATOM 0 HG SER A 30 14.151 -3.674 -4.550 1.00 0.00 H new ATOM 423 N ASN A 31 11.146 -6.550 -2.040 1.00 0.00 N ATOM 424 CA ASN A 31 10.849 -7.647 -1.126 1.00 0.00 C ATOM 425 C ASN A 31 9.367 -8.007 -1.171 1.00 0.00 C ATOM 426 O ASN A 31 9.002 -9.183 -1.160 1.00 0.00 O ATOM 427 CB ASN A 31 11.251 -7.270 0.302 1.00 0.00 C ATOM 428 CG ASN A 31 12.696 -7.613 0.606 1.00 0.00 C ATOM 429 OD1 ASN A 31 13.618 -7.021 0.044 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.901 -8.574 1.499 1.00 0.00 N ATOM 0 H ASN A 31 11.391 -5.673 -1.581 1.00 0.00 H new ATOM 0 HA ASN A 31 11.425 -8.517 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.095 -6.201 0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.601 -7.788 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.852 -8.848 1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.107 -9.038 1.940 1.00 0.00 H new ATOM 437 N CYS A 32 8.518 -6.987 -1.223 1.00 0.00 N ATOM 438 CA CYS A 32 7.075 -7.194 -1.270 1.00 0.00 C ATOM 439 C CYS A 32 6.600 -7.387 -2.708 1.00 0.00 C ATOM 440 O CYS A 32 6.381 -6.418 -3.435 1.00 0.00 O ATOM 441 CB CYS A 32 6.347 -6.007 -0.636 1.00 0.00 C ATOM 442 SG CYS A 32 4.692 -6.409 0.009 1.00 0.00 S ATOM 0 H CYS A 32 8.804 -6.008 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 32 6.844 -8.097 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.956 -5.613 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.253 -5.214 -1.378 1.00 0.00 H new ATOM 447 N ARG A 33 6.444 -8.644 -3.110 1.00 0.00 N ATOM 448 CA ARG A 33 5.996 -8.964 -4.460 1.00 0.00 C ATOM 449 C ARG A 33 4.494 -8.739 -4.602 1.00 0.00 C ATOM 450 O ARG A 33 3.999 -8.458 -5.693 1.00 0.00 O ATOM 451 CB ARG A 33 6.341 -10.414 -4.804 1.00 0.00 C ATOM 452 CG ARG A 33 7.824 -10.650 -5.035 1.00 0.00 C ATOM 453 CD ARG A 33 8.283 -10.058 -6.358 1.00 0.00 C ATOM 454 NE ARG A 33 9.728 -9.845 -6.391 1.00 0.00 N ATOM 455 CZ ARG A 33 10.604 -10.795 -6.699 1.00 0.00 C ATOM 456 NH1 ARG A 33 10.184 -12.016 -6.999 1.00 0.00 N ATOM 457 NH2 ARG A 33 11.903 -10.524 -6.707 1.00 0.00 N ATOM 0 H ARG A 33 6.621 -9.457 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 33 6.512 -8.301 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.001 -11.061 -3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.792 -10.707 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.395 -10.207 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.029 -11.720 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.996 -10.724 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.773 -9.110 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 33 10.084 -8.916 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.186 -12.228 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.859 -12.744 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.230 -9.586 -6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.575 -11.254 -6.944 1.00 0.00 H new ATOM 471 N ASN A 34 3.774 -8.865 -3.492 1.00 0.00 N ATOM 472 CA ASN A 34 2.328 -8.677 -3.493 1.00 0.00 C ATOM 473 C ASN A 34 1.972 -7.199 -3.623 1.00 0.00 C ATOM 474 O ASN A 34 0.871 -6.851 -4.050 1.00 0.00 O ATOM 475 CB ASN A 34 1.717 -9.249 -2.212 1.00 0.00 C ATOM 476 CG ASN A 34 1.900 -10.751 -2.105 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.856 -11.229 -1.495 1.00 0.00 O ATOM 478 ND2 ASN A 34 0.980 -11.502 -2.699 1.00 0.00 N ATOM 0 H ASN A 34 4.168 -9.097 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 34 1.918 -9.209 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.175 -8.767 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.653 -9.012 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.049 -12.519 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.204 -11.062 -3.194 1.00 0.00 H new ATOM 485 N CYS A 35 2.911 -6.335 -3.254 1.00 0.00 N ATOM 486 CA CYS A 35 2.697 -4.894 -3.330 1.00 0.00 C ATOM 487 C CYS A 35 2.453 -4.456 -4.770 1.00 0.00 C ATOM 488 O CYS A 35 3.387 -4.360 -5.566 1.00 0.00 O ATOM 489 CB CYS A 35 3.901 -4.148 -2.753 1.00 0.00 C ATOM 490 SG CYS A 35 3.849 -2.358 -3.004 1.00 0.00 S ATOM 0 H CYS A 35 3.828 -6.607 -2.899 1.00 0.00 H new ATOM 0 HA CYS A 35 1.812 -4.651 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.964 -4.353 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.811 -4.542 -3.207 1.00 0.00 H new ATOM 0 HG CYS A 35 3.243 -1.796 -2.000 1.00 0.00 H new ATOM 496 N GLU A 36 1.192 -4.193 -5.097 1.00 0.00 N ATOM 497 CA GLU A 36 0.825 -3.767 -6.443 1.00 0.00 C ATOM 498 C GLU A 36 0.055 -2.450 -6.406 1.00 0.00 C ATOM 499 O GLU A 36 0.190 -1.614 -7.300 1.00 0.00 O ATOM 500 CB GLU A 36 -0.016 -4.844 -7.131 1.00 0.00 C ATOM 501 CG GLU A 36 0.789 -6.055 -7.573 1.00 0.00 C ATOM 502 CD GLU A 36 -0.075 -7.282 -7.788 1.00 0.00 C ATOM 503 OE1 GLU A 36 -0.721 -7.373 -8.853 1.00 0.00 O ATOM 504 OE2 GLU A 36 -0.105 -8.152 -6.892 1.00 0.00 O ATOM 0 H GLU A 36 0.408 -4.267 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 36 1.743 -3.615 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.802 -5.170 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.508 -4.408 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.315 -5.819 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.548 -6.276 -6.822 1.00 0.00 H new ATOM 511 N CYS A 37 -0.754 -2.274 -5.367 1.00 0.00 N ATOM 512 CA CYS A 37 -1.549 -1.061 -5.213 1.00 0.00 C ATOM 513 C CYS A 37 -1.110 -0.276 -3.981 1.00 0.00 C ATOM 514 O CYS A 37 -0.893 -0.848 -2.912 1.00 0.00 O ATOM 515 CB CYS A 37 -3.034 -1.408 -5.109 1.00 0.00 C ATOM 516 SG CYS A 37 -3.460 -2.403 -3.661 1.00 0.00 S ATOM 0 H CYS A 37 -0.877 -2.956 -4.619 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.390 -0.439 -6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.611 -0.484 -5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.334 -1.947 -6.008 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.547 -1.634 -2.616 1.00 0.00 H new ATOM 522 N LEU A 38 -0.980 1.037 -4.138 1.00 0.00 N ATOM 523 CA LEU A 38 -0.565 1.901 -3.038 1.00 0.00 C ATOM 524 C LEU A 38 -1.577 3.020 -2.814 1.00 0.00 C ATOM 525 O LEU A 38 -1.981 3.703 -3.755 1.00 0.00 O ATOM 526 CB LEU A 38 0.815 2.495 -3.323 1.00 0.00 C ATOM 527 CG LEU A 38 2.001 1.541 -3.173 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.203 2.058 -3.947 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.351 1.352 -1.704 1.00 0.00 C ATOM 0 H LEU A 38 -1.156 1.526 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.513 1.296 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.817 2.887 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.969 3.342 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 38 1.718 0.573 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.037 1.366 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.947 2.141 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.488 3.038 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.197 0.670 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.614 2.315 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.493 0.935 -1.176 1.00 0.00 H new ATOM 541 N SER A 39 -1.980 3.204 -1.560 1.00 0.00 N ATOM 542 CA SER A 39 -2.945 4.240 -1.212 1.00 0.00 C ATOM 543 C SER A 39 -2.287 5.341 -0.386 1.00 0.00 C ATOM 544 O SER A 39 -1.998 5.157 0.797 1.00 0.00 O ATOM 545 CB SER A 39 -4.117 3.635 -0.436 1.00 0.00 C ATOM 546 OG SER A 39 -5.062 3.048 -1.314 1.00 0.00 O ATOM 0 H SER A 39 -1.653 2.649 -0.769 1.00 0.00 H new ATOM 0 HA SER A 39 -3.319 4.679 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.746 2.882 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.601 4.409 0.159 1.00 0.00 H new ATOM 0 HG SER A 39 -5.800 2.667 -0.793 1.00 0.00 H new ATOM 552 N CYS A 40 -2.053 6.486 -1.018 1.00 0.00 N ATOM 553 CA CYS A 40 -1.428 7.618 -0.343 1.00 0.00 C ATOM 554 C CYS A 40 -2.230 8.027 0.889 1.00 0.00 C ATOM 555 O CYS A 40 -3.444 8.223 0.815 1.00 0.00 O ATOM 556 CB CYS A 40 -1.304 8.804 -1.302 1.00 0.00 C ATOM 557 SG CYS A 40 -0.435 10.241 -0.597 1.00 0.00 S ATOM 0 H CYS A 40 -2.287 6.655 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.432 7.313 -0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.778 8.479 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.302 9.113 -1.612 1.00 0.00 H new ATOM 562 N ILE A 41 -1.544 8.153 2.019 1.00 0.00 N ATOM 563 CA ILE A 41 -2.192 8.540 3.267 1.00 0.00 C ATOM 564 C ILE A 41 -2.203 10.056 3.433 1.00 0.00 C ATOM 565 O ILE A 41 -3.062 10.609 4.120 1.00 0.00 O ATOM 566 CB ILE A 41 -1.493 7.906 4.484 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.002 8.232 4.468 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.713 6.401 4.496 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.724 7.817 5.731 1.00 0.00 C ATOM 0 H ILE A 41 -0.540 7.993 2.097 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.218 8.175 3.217 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.927 8.324 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.465 7.736 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.130 9.304 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.213 5.967 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.781 6.190 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.303 5.966 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.779 8.079 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.287 8.333 6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.627 6.740 5.869 1.00 0.00 H new ATOM 581 N ASP A 42 -1.244 10.722 2.799 1.00 0.00 N ATOM 582 CA ASP A 42 -1.145 12.175 2.874 1.00 0.00 C ATOM 583 C ASP A 42 -2.457 12.832 2.458 1.00 0.00 C ATOM 584 O ASP A 42 -2.977 13.702 3.157 1.00 0.00 O ATOM 585 CB ASP A 42 -0.005 12.676 1.985 1.00 0.00 C ATOM 586 CG ASP A 42 0.165 14.181 2.056 1.00 0.00 C ATOM 587 OD1 ASP A 42 -0.804 14.903 1.743 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.269 14.637 2.423 1.00 0.00 O ATOM 0 H ASP A 42 -0.524 10.279 2.228 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.936 12.447 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.925 12.194 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.197 12.383 0.953 1.00 0.00 H new ATOM 593 N CYS A 43 -2.988 12.410 1.315 1.00 0.00 N ATOM 594 CA CYS A 43 -4.238 12.957 0.804 1.00 0.00 C ATOM 595 C CYS A 43 -5.360 11.927 0.894 1.00 0.00 C ATOM 596 O CYS A 43 -6.449 12.221 1.386 1.00 0.00 O ATOM 597 CB CYS A 43 -4.065 13.413 -0.647 1.00 0.00 C ATOM 598 SG CYS A 43 -3.350 12.146 -1.743 1.00 0.00 S ATOM 0 H CYS A 43 -2.571 11.690 0.725 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.507 13.816 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.036 13.713 -1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.427 14.296 -0.666 1.00 0.00 H new ATOM 603 N GLY A 44 -5.086 10.717 0.416 1.00 0.00 N ATOM 604 CA GLY A 44 -6.081 9.662 0.452 1.00 0.00 C ATOM 605 C GLY A 44 -6.525 9.236 -0.933 1.00 0.00 C ATOM 606 O GLY A 44 -7.710 8.997 -1.168 1.00 0.00 O ATOM 0 H GLY A 44 -4.192 10.449 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.673 8.800 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.947 10.003 1.019 1.00 0.00 H new ATOM 610 N LYS A 45 -5.573 9.142 -1.855 1.00 0.00 N ATOM 611 CA LYS A 45 -5.871 8.743 -3.226 1.00 0.00 C ATOM 612 C LYS A 45 -5.349 7.338 -3.509 1.00 0.00 C ATOM 613 O LYS A 45 -4.249 6.978 -3.089 1.00 0.00 O ATOM 614 CB LYS A 45 -5.256 9.736 -4.214 1.00 0.00 C ATOM 615 CG LYS A 45 -6.038 9.870 -5.509 1.00 0.00 C ATOM 616 CD LYS A 45 -5.590 8.846 -6.539 1.00 0.00 C ATOM 617 CE LYS A 45 -4.410 9.354 -7.353 1.00 0.00 C ATOM 618 NZ LYS A 45 -4.824 10.380 -8.349 1.00 0.00 N ATOM 0 H LYS A 45 -4.588 9.337 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.954 8.741 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.188 10.714 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.238 9.422 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.102 9.744 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.907 10.874 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.314 7.919 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.420 8.612 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.663 9.779 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.937 8.518 -7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.044 10.552 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.656 10.040 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.061 11.265 -7.857 1.00 0.00 H new ATOM 632 N ASP A 46 -6.143 6.550 -4.225 1.00 0.00 N ATOM 633 CA ASP A 46 -5.759 5.185 -4.567 1.00 0.00 C ATOM 634 C ASP A 46 -5.017 5.147 -5.900 1.00 0.00 C ATOM 635 O ASP A 46 -5.429 5.782 -6.870 1.00 0.00 O ATOM 636 CB ASP A 46 -6.994 4.286 -4.631 1.00 0.00 C ATOM 637 CG ASP A 46 -7.869 4.416 -3.400 1.00 0.00 C ATOM 638 OD1 ASP A 46 -8.354 5.535 -3.132 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.069 3.398 -2.704 1.00 0.00 O ATOM 0 H ASP A 46 -7.057 6.833 -4.580 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.091 4.816 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.578 4.538 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.679 3.248 -4.741 1.00 0.00 H new ATOM 644 N PHE A 47 -3.919 4.398 -5.939 1.00 0.00 N ATOM 645 CA PHE A 47 -3.118 4.279 -7.151 1.00 0.00 C ATOM 646 C PHE A 47 -3.037 2.826 -7.608 1.00 0.00 C ATOM 647 O PHE A 47 -3.033 1.906 -6.790 1.00 0.00 O ATOM 648 CB PHE A 47 -1.711 4.831 -6.915 1.00 0.00 C ATOM 649 CG PHE A 47 -1.693 6.282 -6.529 1.00 0.00 C ATOM 650 CD1 PHE A 47 -2.053 6.678 -5.251 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.317 7.252 -7.445 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.038 8.013 -4.894 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.300 8.588 -7.094 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.660 8.969 -5.816 1.00 0.00 C ATOM 0 H PHE A 47 -3.564 3.865 -5.145 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.602 4.862 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.228 4.249 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.120 4.697 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.349 5.935 -4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.034 6.960 -8.445 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.322 8.308 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.006 9.334 -7.818 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.646 10.013 -5.538 1.00 0.00 H new ATOM 664 N TRP A 48 -2.972 2.627 -8.920 1.00 0.00 N ATOM 665 CA TRP A 48 -2.891 1.285 -9.486 1.00 0.00 C ATOM 666 C TRP A 48 -1.786 1.203 -10.534 1.00 0.00 C ATOM 667 O TRP A 48 -1.843 1.871 -11.565 1.00 0.00 O ATOM 668 CB TRP A 48 -4.231 0.891 -10.109 1.00 0.00 C ATOM 669 CG TRP A 48 -5.311 0.657 -9.096 1.00 0.00 C ATOM 670 CD1 TRP A 48 -6.309 1.522 -8.748 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.499 -0.517 -8.300 1.00 0.00 C ATOM 672 NE1 TRP A 48 -7.106 0.956 -7.783 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.631 -0.295 -7.491 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.823 -1.736 -8.192 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -7.099 -1.247 -6.588 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -5.289 -2.679 -7.296 1.00 0.00 C ATOM 677 CH2 TRP A 48 -6.418 -2.431 -6.504 1.00 0.00 C ATOM 0 H TRP A 48 -2.974 3.377 -9.611 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.655 0.591 -8.680 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.550 1.676 -10.795 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.096 -0.014 -10.701 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.451 2.506 -9.170 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.920 1.396 -7.353 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.952 -1.937 -8.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.968 -1.057 -5.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.774 -3.624 -7.204 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.757 -3.189 -5.814 1.00 0.00 H new ATOM 688 N GLY A 49 -0.779 0.377 -10.262 1.00 0.00 N ATOM 689 CA GLY A 49 0.325 0.223 -11.191 1.00 0.00 C ATOM 690 C GLY A 49 1.438 1.220 -10.940 1.00 0.00 C ATOM 691 O GLY A 49 1.666 1.633 -9.803 1.00 0.00 O ATOM 0 H GLY A 49 -0.709 -0.187 -9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.723 -0.789 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.043 0.343 -12.210 1.00 0.00 H new ATOM 695 N ASP A 50 2.134 1.608 -12.003 1.00 0.00 N ATOM 696 CA ASP A 50 3.230 2.563 -11.893 1.00 0.00 C ATOM 697 C ASP A 50 2.705 3.995 -11.885 1.00 0.00 C ATOM 698 O ASP A 50 3.282 4.882 -12.514 1.00 0.00 O ATOM 699 CB ASP A 50 4.217 2.375 -13.046 1.00 0.00 C ATOM 700 CG ASP A 50 3.712 2.975 -14.344 1.00 0.00 C ATOM 701 OD1 ASP A 50 2.484 3.165 -14.471 1.00 0.00 O ATOM 702 OD2 ASP A 50 4.544 3.252 -15.233 1.00 0.00 O ATOM 0 H ASP A 50 1.958 1.275 -12.951 1.00 0.00 H new ATOM 0 HA ASP A 50 3.745 2.379 -10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.170 2.834 -12.783 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.405 1.311 -13.190 1.00 0.00 H new ATOM 707 N ASP A 51 1.607 4.213 -11.170 1.00 0.00 N ATOM 708 CA ASP A 51 1.003 5.537 -11.080 1.00 0.00 C ATOM 709 C ASP A 51 1.536 6.296 -9.869 1.00 0.00 C ATOM 710 O ASP A 51 1.904 7.467 -9.970 1.00 0.00 O ATOM 711 CB ASP A 51 -0.520 5.422 -10.995 1.00 0.00 C ATOM 712 CG ASP A 51 -1.173 5.361 -12.362 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.532 5.786 -13.346 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.325 4.887 -12.448 1.00 0.00 O ATOM 0 H ASP A 51 1.117 3.489 -10.644 1.00 0.00 H new ATOM 0 HA ASP A 51 1.268 6.092 -11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.783 4.528 -10.430 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.916 6.275 -10.444 1.00 0.00 H new ATOM 719 N TYR A 52 1.574 5.623 -8.725 1.00 0.00 N ATOM 720 CA TYR A 52 2.059 6.235 -7.494 1.00 0.00 C ATOM 721 C TYR A 52 3.374 6.971 -7.732 1.00 0.00 C ATOM 722 O TYR A 52 3.538 8.122 -7.326 1.00 0.00 O ATOM 723 CB TYR A 52 2.246 5.172 -6.410 1.00 0.00 C ATOM 724 CG TYR A 52 3.487 4.329 -6.596 1.00 0.00 C ATOM 725 CD1 TYR A 52 4.739 4.810 -6.232 1.00 0.00 C ATOM 726 CD2 TYR A 52 3.408 3.051 -7.137 1.00 0.00 C ATOM 727 CE1 TYR A 52 5.875 4.043 -6.401 1.00 0.00 C ATOM 728 CE2 TYR A 52 4.540 2.277 -7.309 1.00 0.00 C ATOM 729 CZ TYR A 52 5.771 2.778 -6.940 1.00 0.00 C ATOM 730 OH TYR A 52 6.901 2.010 -7.109 1.00 0.00 O ATOM 0 H TYR A 52 1.275 4.653 -8.624 1.00 0.00 H new ATOM 0 HA TYR A 52 1.314 6.958 -7.160 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.292 5.661 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.373 4.520 -6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.825 5.800 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.446 2.656 -7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.840 4.432 -6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.461 1.286 -7.730 1.00 0.00 H new ATOM 0 HH TYR A 52 6.654 1.146 -7.499 1.00 0.00 H new ATOM 740 N LYS A 53 4.309 6.299 -8.395 1.00 0.00 N ATOM 741 CA LYS A 53 5.610 6.886 -8.691 1.00 0.00 C ATOM 742 C LYS A 53 5.469 8.357 -9.070 1.00 0.00 C ATOM 743 O LYS A 53 6.001 9.236 -8.392 1.00 0.00 O ATOM 744 CB LYS A 53 6.293 6.119 -9.825 1.00 0.00 C ATOM 745 CG LYS A 53 6.773 4.736 -9.421 1.00 0.00 C ATOM 746 CD LYS A 53 7.331 3.971 -10.610 1.00 0.00 C ATOM 747 CE LYS A 53 7.642 2.527 -10.246 1.00 0.00 C ATOM 748 NZ LYS A 53 6.451 1.647 -10.405 1.00 0.00 N ATOM 0 H LYS A 53 4.189 5.346 -8.738 1.00 0.00 H new ATOM 0 HA LYS A 53 6.225 6.817 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.597 6.024 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.143 6.699 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.541 4.826 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.947 4.177 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.612 3.994 -11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.237 4.461 -10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.452 2.160 -10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.994 2.480 -9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.651 0.714 -9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.636 2.074 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.233 1.537 -11.416 1.00 0.00 H new ATOM 762 N SER A 54 4.748 8.617 -10.156 1.00 0.00 N ATOM 763 CA SER A 54 4.539 9.981 -10.626 1.00 0.00 C ATOM 764 C SER A 54 4.099 10.889 -9.482 1.00 0.00 C ATOM 765 O SER A 54 4.540 12.034 -9.377 1.00 0.00 O ATOM 766 CB SER A 54 3.491 10.004 -11.741 1.00 0.00 C ATOM 767 OG SER A 54 2.188 9.808 -11.221 1.00 0.00 O ATOM 0 H SER A 54 4.299 7.901 -10.727 1.00 0.00 H new ATOM 0 HA SER A 54 5.486 10.352 -11.018 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.536 10.958 -12.267 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.715 9.226 -12.471 1.00 0.00 H new ATOM 0 HG SER A 54 2.167 8.982 -10.694 1.00 0.00 H new ATOM 773 N HIS A 55 3.226 10.369 -8.624 1.00 0.00 N ATOM 774 CA HIS A 55 2.726 11.132 -7.486 1.00 0.00 C ATOM 775 C HIS A 55 3.878 11.637 -6.622 1.00 0.00 C ATOM 776 O HIS A 55 4.636 10.848 -6.057 1.00 0.00 O ATOM 777 CB HIS A 55 1.781 10.273 -6.645 1.00 0.00 C ATOM 778 CG HIS A 55 0.938 11.065 -5.694 1.00 0.00 C ATOM 779 ND1 HIS A 55 0.161 12.134 -6.089 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.750 10.938 -4.360 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.467 12.631 -5.038 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.126 11.923 -3.976 1.00 0.00 N ATOM 0 H HIS A 55 2.851 9.423 -8.695 1.00 0.00 H new ATOM 0 HA HIS A 55 2.178 11.993 -7.870 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.129 9.707 -7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.368 9.548 -6.081 1.00 0.00 H new ATOM 0 HD1 HIS A 55 0.083 12.486 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.205 10.199 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.144 13.473 -5.046 1.00 0.00 H new ATOM 790 N VAL A 56 4.004 12.956 -6.524 1.00 0.00 N ATOM 791 CA VAL A 56 5.063 13.567 -5.729 1.00 0.00 C ATOM 792 C VAL A 56 4.508 14.653 -4.815 1.00 0.00 C ATOM 793 O VAL A 56 4.933 14.793 -3.668 1.00 0.00 O ATOM 794 CB VAL A 56 6.158 14.175 -6.625 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.872 13.086 -7.411 1.00 0.00 C ATOM 796 CG2 VAL A 56 5.562 15.216 -7.561 1.00 0.00 C ATOM 0 H VAL A 56 3.385 13.623 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 56 5.500 12.774 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 56 6.892 14.669 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.642 13.535 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.333 12.381 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.153 12.560 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.349 15.636 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.807 14.748 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.102 16.011 -6.975 1.00 0.00 H new ATOM 806 N LYS A 57 3.554 15.421 -5.330 1.00 0.00 N ATOM 807 CA LYS A 57 2.937 16.495 -4.561 1.00 0.00 C ATOM 808 C LYS A 57 1.420 16.339 -4.529 1.00 0.00 C ATOM 809 O LYS A 57 0.764 16.332 -5.571 1.00 0.00 O ATOM 810 CB LYS A 57 3.308 17.855 -5.157 1.00 0.00 C ATOM 811 CG LYS A 57 2.776 19.034 -4.361 1.00 0.00 C ATOM 812 CD LYS A 57 3.340 20.350 -4.868 1.00 0.00 C ATOM 813 CE LYS A 57 4.658 20.690 -4.191 1.00 0.00 C ATOM 814 NZ LYS A 57 4.450 21.385 -2.890 1.00 0.00 N ATOM 0 H LYS A 57 3.191 15.319 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 57 3.312 16.438 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.394 17.930 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.925 17.913 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.688 19.055 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.032 18.909 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.488 20.292 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.621 21.149 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.229 19.776 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.252 21.323 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.372 21.600 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.928 22.270 -3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.905 20.771 -2.252 1.00 0.00 H new ATOM 828 N CYS A 58 0.868 16.216 -3.326 1.00 0.00 N ATOM 829 CA CYS A 58 -0.572 16.061 -3.157 1.00 0.00 C ATOM 830 C CYS A 58 -1.293 17.384 -3.399 1.00 0.00 C ATOM 831 O CYS A 58 -1.623 18.104 -2.457 1.00 0.00 O ATOM 832 CB CYS A 58 -0.889 15.545 -1.752 1.00 0.00 C ATOM 833 SG CYS A 58 0.094 14.094 -1.254 1.00 0.00 S ATOM 0 H CYS A 58 1.397 16.221 -2.454 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.923 15.336 -3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.720 16.348 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.947 15.289 -1.701 1.00 0.00 H new ATOM 838 N ILE A 59 -1.534 17.696 -4.668 1.00 0.00 N ATOM 839 CA ILE A 59 -2.217 18.931 -5.034 1.00 0.00 C ATOM 840 C ILE A 59 -3.671 18.912 -4.573 1.00 0.00 C ATOM 841 O ILE A 59 -4.405 17.961 -4.840 1.00 0.00 O ATOM 842 CB ILE A 59 -2.176 19.168 -6.555 1.00 0.00 C ATOM 843 CG1 ILE A 59 -0.730 19.149 -7.057 1.00 0.00 C ATOM 844 CG2 ILE A 59 -2.846 20.488 -6.904 1.00 0.00 C ATOM 845 CD1 ILE A 59 0.157 20.172 -6.382 1.00 0.00 C ATOM 0 H ILE A 59 -1.267 17.111 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.690 19.743 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.723 18.364 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.311 18.155 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.725 19.328 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.809 20.641 -7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.885 20.466 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.325 21.304 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.167 20.102 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.238 21.172 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.182 19.981 -5.309 1.00 0.00 H new ATOM 857 N SER A 60 -4.080 19.971 -3.882 1.00 0.00 N ATOM 858 CA SER A 60 -5.446 20.076 -3.382 1.00 0.00 C ATOM 859 C SER A 60 -6.096 21.375 -3.847 1.00 0.00 C ATOM 860 O SER A 60 -5.847 22.442 -3.286 1.00 0.00 O ATOM 861 CB SER A 60 -5.459 20.004 -1.854 1.00 0.00 C ATOM 862 OG SER A 60 -4.671 21.037 -1.288 1.00 0.00 O ATOM 0 H SER A 60 -3.485 20.768 -3.656 1.00 0.00 H new ATOM 0 HA SER A 60 -6.019 19.240 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.484 20.084 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.081 19.035 -1.529 1.00 0.00 H new ATOM 0 HG SER A 60 -4.812 21.867 -1.789 1.00 0.00 H new ATOM 868 N GLU A 61 -6.931 21.276 -4.877 1.00 0.00 N ATOM 869 CA GLU A 61 -7.617 22.444 -5.418 1.00 0.00 C ATOM 870 C GLU A 61 -8.948 22.048 -6.052 1.00 0.00 C ATOM 871 O GLU A 61 -8.996 21.201 -6.943 1.00 0.00 O ATOM 872 CB GLU A 61 -6.736 23.146 -6.453 1.00 0.00 C ATOM 873 CG GLU A 61 -5.834 24.216 -5.859 1.00 0.00 C ATOM 874 CD GLU A 61 -4.932 24.858 -6.894 1.00 0.00 C ATOM 875 OE1 GLU A 61 -4.189 24.119 -7.574 1.00 0.00 O ATOM 876 OE2 GLU A 61 -4.967 26.100 -7.025 1.00 0.00 O ATOM 0 H GLU A 61 -7.148 20.400 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.816 23.130 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.120 22.402 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.373 23.600 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.448 24.985 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.222 23.774 -5.073 1.00 0.00 H new ATOM 883 N GLY A 62 -10.027 22.668 -5.585 1.00 0.00 N ATOM 884 CA GLY A 62 -11.344 22.367 -6.116 1.00 0.00 C ATOM 885 C GLY A 62 -11.359 22.310 -7.630 1.00 0.00 C ATOM 886 O GLY A 62 -11.405 23.345 -8.296 1.00 0.00 O ATOM 0 H GLY A 62 -10.013 23.373 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.684 21.412 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.051 23.124 -5.777 1.00 0.00 H new ATOM 890 N GLN A 63 -11.317 21.099 -8.176 1.00 0.00 N ATOM 891 CA GLN A 63 -11.324 20.913 -9.622 1.00 0.00 C ATOM 892 C GLN A 63 -12.694 20.450 -10.105 1.00 0.00 C ATOM 893 O GLN A 63 -13.237 20.986 -11.072 1.00 0.00 O ATOM 894 CB GLN A 63 -10.256 19.897 -10.031 1.00 0.00 C ATOM 895 CG GLN A 63 -8.889 20.515 -10.275 1.00 0.00 C ATOM 896 CD GLN A 63 -7.769 19.494 -10.223 1.00 0.00 C ATOM 897 OE1 GLN A 63 -6.880 19.574 -9.375 1.00 0.00 O ATOM 898 NE2 GLN A 63 -7.806 18.527 -11.132 1.00 0.00 N ATOM 0 H GLN A 63 -11.278 20.233 -7.639 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.101 21.873 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.169 19.140 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.581 19.386 -10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.884 21.004 -11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.706 21.288 -9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.562 18.499 -11.816 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.079 17.812 -11.146 1.00 0.00 H new ATOM 907 N LYS A 64 -13.250 19.452 -9.426 1.00 0.00 N ATOM 908 CA LYS A 64 -14.558 18.917 -9.784 1.00 0.00 C ATOM 909 C LYS A 64 -15.564 20.042 -10.005 1.00 0.00 C ATOM 910 O LYS A 64 -15.278 21.207 -9.726 1.00 0.00 O ATOM 911 CB LYS A 64 -15.063 17.974 -8.690 1.00 0.00 C ATOM 912 CG LYS A 64 -15.367 18.674 -7.377 1.00 0.00 C ATOM 913 CD LYS A 64 -15.132 17.756 -6.189 1.00 0.00 C ATOM 914 CE LYS A 64 -13.722 17.905 -5.639 1.00 0.00 C ATOM 915 NZ LYS A 64 -12.775 16.946 -6.274 1.00 0.00 N ATOM 0 H LYS A 64 -12.814 18.997 -8.624 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.453 18.360 -10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.964 17.472 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.315 17.200 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.740 19.561 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.403 19.014 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.855 17.982 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.299 16.721 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.373 18.924 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.734 17.744 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.895 16.909 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.206 16.000 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.561 17.259 -7.243 1.00 0.00 H new ATOM 929 N TYR A 65 -16.742 19.686 -10.505 1.00 0.00 N ATOM 930 CA TYR A 65 -17.790 20.667 -10.763 1.00 0.00 C ATOM 931 C TYR A 65 -19.053 20.334 -9.975 1.00 0.00 C ATOM 932 O TYR A 65 -19.701 21.218 -9.416 1.00 0.00 O ATOM 933 CB TYR A 65 -18.108 20.722 -12.259 1.00 0.00 C ATOM 934 CG TYR A 65 -19.077 19.654 -12.712 1.00 0.00 C ATOM 935 CD1 TYR A 65 -20.450 19.845 -12.612 1.00 0.00 C ATOM 936 CD2 TYR A 65 -18.620 18.453 -13.241 1.00 0.00 C ATOM 937 CE1 TYR A 65 -21.338 18.871 -13.024 1.00 0.00 C ATOM 938 CE2 TYR A 65 -19.501 17.474 -13.657 1.00 0.00 C ATOM 939 CZ TYR A 65 -20.859 17.687 -13.546 1.00 0.00 C ATOM 940 OH TYR A 65 -21.741 16.715 -13.959 1.00 0.00 O ATOM 0 H TYR A 65 -16.995 18.726 -10.740 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.428 21.643 -10.439 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.522 21.701 -12.498 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.181 20.622 -12.823 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -20.829 20.771 -12.205 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.557 18.282 -13.328 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -22.402 19.035 -12.938 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -19.128 16.547 -14.067 1.00 0.00 H new ATOM 0 HH TYR A 65 -21.242 15.945 -14.302 1.00 0.00 H new ATOM 950 N GLY A 66 -19.398 19.050 -9.936 1.00 0.00 N ATOM 951 CA GLY A 66 -20.582 18.621 -9.214 1.00 0.00 C ATOM 952 C GLY A 66 -20.278 18.233 -7.781 1.00 0.00 C ATOM 953 O GLY A 66 -19.340 17.481 -7.519 1.00 0.00 O ATOM 0 H GLY A 66 -18.879 18.300 -10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.319 19.424 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -21.031 17.772 -9.730 1.00 0.00 H new ATOM 957 N GLY A 67 -21.072 18.750 -6.848 1.00 0.00 N ATOM 958 CA GLY A 67 -20.866 18.443 -5.445 1.00 0.00 C ATOM 959 C GLY A 67 -21.179 19.620 -4.542 1.00 0.00 C ATOM 960 O GLY A 67 -22.161 19.599 -3.800 1.00 0.00 O ATOM 0 H GLY A 67 -21.854 19.376 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.494 17.597 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -19.831 18.136 -5.291 1.00 0.00 H new ATOM 964 N LYS A 68 -20.341 20.649 -4.602 1.00 0.00 N ATOM 965 CA LYS A 68 -20.532 21.841 -3.784 1.00 0.00 C ATOM 966 C LYS A 68 -21.730 22.649 -4.271 1.00 0.00 C ATOM 967 O LYS A 68 -21.939 22.804 -5.473 1.00 0.00 O ATOM 968 CB LYS A 68 -19.272 22.709 -3.810 1.00 0.00 C ATOM 969 CG LYS A 68 -18.194 22.247 -2.846 1.00 0.00 C ATOM 970 CD LYS A 68 -17.314 23.401 -2.397 1.00 0.00 C ATOM 971 CE LYS A 68 -17.931 24.150 -1.225 1.00 0.00 C ATOM 972 NZ LYS A 68 -17.194 25.407 -0.920 1.00 0.00 N ATOM 0 H LYS A 68 -19.522 20.682 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.725 21.522 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.865 22.714 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.544 23.737 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.658 21.782 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.579 21.485 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.333 23.022 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.161 24.088 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.971 24.385 -1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.933 23.508 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.645 25.888 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.208 25.181 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.213 26.031 -1.752 1.00 0.00 H new ATOM 986 N GLY A 69 -22.513 23.165 -3.328 1.00 0.00 N ATOM 987 CA GLY A 69 -23.680 23.952 -3.682 1.00 0.00 C ATOM 988 C GLY A 69 -24.950 23.425 -3.045 1.00 0.00 C ATOM 989 O GLY A 69 -25.772 22.795 -3.712 1.00 0.00 O ATOM 0 H GLY A 69 -22.360 23.052 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -23.524 24.986 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -23.796 23.957 -4.766 1.00 0.00 H new ATOM 993 N TYR A 70 -25.112 23.680 -1.752 1.00 0.00 N ATOM 994 CA TYR A 70 -26.289 23.223 -1.023 1.00 0.00 C ATOM 995 C TYR A 70 -27.541 23.334 -1.888 1.00 0.00 C ATOM 996 O TYR A 70 -28.334 22.396 -1.974 1.00 0.00 O ATOM 997 CB TYR A 70 -26.469 24.035 0.260 1.00 0.00 C ATOM 998 CG TYR A 70 -25.587 23.573 1.398 1.00 0.00 C ATOM 999 CD1 TYR A 70 -25.574 22.242 1.796 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -24.766 24.467 2.074 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -24.771 21.815 2.835 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -23.958 24.048 3.114 1.00 0.00 C ATOM 1003 CZ TYR A 70 -23.964 22.722 3.491 1.00 0.00 C ATOM 1004 OH TYR A 70 -23.161 22.300 4.526 1.00 0.00 O ATOM 0 H TYR A 70 -24.442 24.201 -1.186 1.00 0.00 H new ATOM 0 HA TYR A 70 -26.139 22.175 -0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -26.257 25.083 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -27.511 23.978 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -26.203 21.529 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -24.759 25.507 1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -24.775 20.777 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -23.325 24.756 3.629 1.00 0.00 H new ATOM 0 HH TYR A 70 -22.655 23.062 4.879 1.00 0.00 H new ATOM 1014 N GLU A 71 -27.711 24.487 -2.527 1.00 0.00 N ATOM 1015 CA GLU A 71 -28.867 24.721 -3.385 1.00 0.00 C ATOM 1016 C GLU A 71 -28.450 24.792 -4.851 1.00 0.00 C ATOM 1017 O GLU A 71 -27.294 25.070 -5.166 1.00 0.00 O ATOM 1018 CB GLU A 71 -29.575 26.016 -2.982 1.00 0.00 C ATOM 1019 CG GLU A 71 -28.815 27.272 -3.373 1.00 0.00 C ATOM 1020 CD GLU A 71 -29.181 27.768 -4.759 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -30.368 28.085 -4.982 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -28.279 27.839 -5.620 1.00 0.00 O ATOM 0 H GLU A 71 -27.064 25.273 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 71 -29.555 23.885 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -30.562 26.040 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.729 26.016 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.019 28.057 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -27.744 27.071 -3.334 1.00 0.00 H new ATOM 1029 N ALA A 72 -29.402 24.536 -5.744 1.00 0.00 N ATOM 1030 CA ALA A 72 -29.135 24.572 -7.176 1.00 0.00 C ATOM 1031 C ALA A 72 -30.427 24.456 -7.978 1.00 0.00 C ATOM 1032 O ALA A 72 -31.466 24.062 -7.448 1.00 0.00 O ATOM 1033 CB ALA A 72 -28.171 23.459 -7.561 1.00 0.00 C ATOM 0 H ALA A 72 -30.364 24.302 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 72 -28.677 25.533 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -27.980 23.498 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -27.233 23.587 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -28.608 22.494 -7.305 1.00 0.00 H new ATOM 1039 N LYS A 73 -30.356 24.803 -9.259 1.00 0.00 N ATOM 1040 CA LYS A 73 -31.519 24.739 -10.135 1.00 0.00 C ATOM 1041 C LYS A 73 -31.317 23.698 -11.232 1.00 0.00 C ATOM 1042 O LYS A 73 -30.238 23.599 -11.815 1.00 0.00 O ATOM 1043 CB LYS A 73 -31.788 26.109 -10.762 1.00 0.00 C ATOM 1044 CG LYS A 73 -30.703 26.562 -11.723 1.00 0.00 C ATOM 1045 CD LYS A 73 -30.993 26.108 -13.144 1.00 0.00 C ATOM 1046 CE LYS A 73 -29.744 26.162 -14.012 1.00 0.00 C ATOM 1047 NZ LYS A 73 -29.525 27.520 -14.583 1.00 0.00 N ATOM 0 H LYS A 73 -29.504 25.132 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 73 -32.379 24.446 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -32.740 26.076 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -31.890 26.849 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -30.622 27.649 -11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -29.741 26.163 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -31.384 25.091 -13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -31.767 26.741 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -28.876 25.873 -13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -29.832 25.437 -14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -28.665 27.516 -15.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -30.342 27.786 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -29.415 28.208 -13.811 1.00 0.00 H new ATOM 1061 N SER A 74 -32.362 22.924 -11.507 1.00 0.00 N ATOM 1062 CA SER A 74 -32.298 21.889 -12.532 1.00 0.00 C ATOM 1063 C SER A 74 -33.596 21.835 -13.332 1.00 0.00 C ATOM 1064 O SER A 74 -34.668 22.153 -12.819 1.00 0.00 O ATOM 1065 CB SER A 74 -32.023 20.526 -11.894 1.00 0.00 C ATOM 1066 OG SER A 74 -30.702 20.459 -11.385 1.00 0.00 O ATOM 0 H SER A 74 -33.263 22.994 -11.034 1.00 0.00 H new ATOM 0 HA SER A 74 -31.482 22.136 -13.212 1.00 0.00 H new ATOM 0 HB2 SER A 74 -32.736 20.347 -11.089 1.00 0.00 H new ATOM 0 HB3 SER A 74 -32.172 19.738 -12.633 1.00 0.00 H new ATOM 0 HG SER A 74 -30.551 19.579 -10.981 1.00 0.00 H new ATOM 1072 N GLY A 75 -33.490 21.431 -14.594 1.00 0.00 N ATOM 1073 CA GLY A 75 -34.662 21.343 -15.446 1.00 0.00 C ATOM 1074 C GLY A 75 -35.431 20.053 -15.242 1.00 0.00 C ATOM 1075 O GLY A 75 -34.923 19.084 -14.678 1.00 0.00 O ATOM 0 H GLY A 75 -32.614 21.163 -15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -35.318 22.190 -15.244 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -34.356 21.419 -16.489 1.00 0.00 H new ATOM 1079 N PRO A 76 -36.690 20.031 -15.706 1.00 0.00 N ATOM 1080 CA PRO A 76 -37.558 18.856 -15.582 1.00 0.00 C ATOM 1081 C PRO A 76 -37.105 17.703 -16.471 1.00 0.00 C ATOM 1082 O PRO A 76 -37.729 16.643 -16.495 1.00 0.00 O ATOM 1083 CB PRO A 76 -38.924 19.376 -16.036 1.00 0.00 C ATOM 1084 CG PRO A 76 -38.614 20.523 -16.935 1.00 0.00 C ATOM 1085 CD PRO A 76 -37.361 21.149 -16.389 1.00 0.00 C ATOM 0 HA PRO A 76 -37.554 18.452 -14.570 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -39.487 18.604 -16.560 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -39.530 19.691 -15.186 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -38.467 20.186 -17.961 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -39.434 21.240 -16.950 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -36.741 21.565 -17.183 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -37.586 21.963 -15.700 1.00 0.00 H new ATOM 1093 N SER A 77 -36.015 17.918 -17.201 1.00 0.00 N ATOM 1094 CA SER A 77 -35.480 16.897 -18.095 1.00 0.00 C ATOM 1095 C SER A 77 -35.690 15.502 -17.513 1.00 0.00 C ATOM 1096 O SER A 77 -36.150 14.593 -18.204 1.00 0.00 O ATOM 1097 CB SER A 77 -33.990 17.139 -18.345 1.00 0.00 C ATOM 1098 OG SER A 77 -33.794 18.113 -19.356 1.00 0.00 O ATOM 0 H SER A 77 -35.485 18.790 -17.191 1.00 0.00 H new ATOM 0 HA SER A 77 -36.015 16.961 -19.042 1.00 0.00 H new ATOM 0 HB2 SER A 77 -33.512 17.467 -17.422 1.00 0.00 H new ATOM 0 HB3 SER A 77 -33.511 16.205 -18.638 1.00 0.00 H new ATOM 0 HG SER A 77 -32.834 18.251 -19.496 1.00 0.00 H new ATOM 1104 N SER A 78 -35.349 15.342 -16.239 1.00 0.00 N ATOM 1105 CA SER A 78 -35.496 14.058 -15.564 1.00 0.00 C ATOM 1106 C SER A 78 -36.189 14.228 -14.216 1.00 0.00 C ATOM 1107 O SER A 78 -36.153 15.303 -13.618 1.00 0.00 O ATOM 1108 CB SER A 78 -34.128 13.401 -15.367 1.00 0.00 C ATOM 1109 OG SER A 78 -34.263 12.074 -14.890 1.00 0.00 O ATOM 0 H SER A 78 -34.969 16.085 -15.653 1.00 0.00 H new ATOM 0 HA SER A 78 -36.113 13.415 -16.192 1.00 0.00 H new ATOM 0 HB2 SER A 78 -33.584 13.398 -16.311 1.00 0.00 H new ATOM 0 HB3 SER A 78 -33.538 13.986 -14.661 1.00 0.00 H new ATOM 0 HG SER A 78 -33.375 11.676 -14.774 1.00 0.00 H new ATOM 1115 N GLY A 79 -36.821 13.159 -13.742 1.00 0.00 N ATOM 1116 CA GLY A 79 -37.515 13.210 -12.469 1.00 0.00 C ATOM 1117 C GLY A 79 -37.365 11.927 -11.675 1.00 0.00 C ATOM 1118 O GLY A 79 -36.755 11.950 -10.608 1.00 0.00 O ATOM 0 H GLY A 79 -36.865 12.258 -14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -37.130 14.044 -11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -38.573 13.404 -12.643 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 4.001 -4.407 0.998 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -1.020 12.133 -1.836 1.00 0.00 ZN