USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 379 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 50 HIS HE2 : A 50 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-5.2!) USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 GLN : amide:sc= 0 X(o=0,f=-0.34) 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=-0.000482 USER MOD Single : A 6 SER OG : rot 25:sc= 0.158 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc=-0.00464 K(o=-0.0046,f=-0.87) USER MOD Single : A 11 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -113:sc= 0.166 USER MOD Single : A 20 ASN : amide:sc= -0.111 X(o=-0.11,f=0.25) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.0273 USER MOD Single : A 33 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.23) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -140:sc= -0.0528 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0.031) USER MOD Single : A 45 LYS NZ :NH3+ -124:sc= -0.159 (180deg=-1.18) USER MOD Single : A 51 HIS : no HE2:sc= -0.818 K(o=-0.82,f=-4.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.653 48.623 21.511 1.00 0.00 N ATOM 2 CA GLY A 1 -5.285 47.413 20.799 1.00 0.00 C ATOM 3 C GLY A 1 -4.435 46.481 21.640 1.00 0.00 C ATOM 4 O GLY A 1 -3.480 46.914 22.284 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.233 49.226 20.894 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.197 48.373 22.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.793 49.137 21.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.189 46.891 20.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.740 47.679 19.894 1.00 0.00 H new ATOM 8 N SER A 2 -4.784 45.199 21.635 1.00 0.00 N ATOM 9 CA SER A 2 -4.050 44.204 22.408 1.00 0.00 C ATOM 10 C SER A 2 -2.933 43.584 21.573 1.00 0.00 C ATOM 11 O SER A 2 -2.823 43.841 20.375 1.00 0.00 O ATOM 12 CB SER A 2 -4.998 43.111 22.904 1.00 0.00 C ATOM 13 OG SER A 2 -5.826 43.590 23.950 1.00 0.00 O ATOM 0 H SER A 2 -5.570 44.825 21.104 1.00 0.00 H new ATOM 0 HA SER A 2 -3.603 44.704 23.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.617 42.760 22.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.420 42.256 23.256 1.00 0.00 H new ATOM 0 HG SER A 2 -6.424 42.873 24.248 1.00 0.00 H new ATOM 19 N SER A 3 -2.107 42.765 22.217 1.00 0.00 N ATOM 20 CA SER A 3 -0.996 42.110 21.536 1.00 0.00 C ATOM 21 C SER A 3 -1.505 41.069 20.544 1.00 0.00 C ATOM 22 O SER A 3 -2.147 40.092 20.927 1.00 0.00 O ATOM 23 CB SER A 3 -0.065 41.449 22.554 1.00 0.00 C ATOM 24 OG SER A 3 1.156 41.058 21.950 1.00 0.00 O ATOM 0 H SER A 3 -2.186 42.539 23.209 1.00 0.00 H new ATOM 0 HA SER A 3 -0.440 42.869 20.986 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.135 42.142 23.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.555 40.577 22.988 1.00 0.00 H new ATOM 0 HG SER A 3 1.734 40.640 22.622 1.00 0.00 H new ATOM 30 N GLY A 4 -1.213 41.286 19.265 1.00 0.00 N ATOM 31 CA GLY A 4 -1.647 40.360 18.237 1.00 0.00 C ATOM 32 C GLY A 4 -0.907 39.038 18.296 1.00 0.00 C ATOM 33 O GLY A 4 -0.444 38.626 19.360 1.00 0.00 O ATOM 0 H GLY A 4 -0.683 42.088 18.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.717 40.179 18.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.497 40.813 17.257 1.00 0.00 H new ATOM 37 N SER A 5 -0.797 38.371 17.152 1.00 0.00 N ATOM 38 CA SER A 5 -0.112 37.086 17.080 1.00 0.00 C ATOM 39 C SER A 5 0.096 36.662 15.629 1.00 0.00 C ATOM 40 O SER A 5 -0.543 37.190 14.719 1.00 0.00 O ATOM 41 CB SER A 5 -0.912 36.016 17.825 1.00 0.00 C ATOM 42 OG SER A 5 -0.155 34.827 17.978 1.00 0.00 O ATOM 0 H SER A 5 -1.173 38.699 16.262 1.00 0.00 H new ATOM 0 HA SER A 5 0.864 37.195 17.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.205 36.393 18.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.830 35.799 17.280 1.00 0.00 H new ATOM 0 HG SER A 5 -0.688 34.160 18.459 1.00 0.00 H new ATOM 48 N SER A 6 0.995 35.705 15.421 1.00 0.00 N ATOM 49 CA SER A 6 1.291 35.212 14.082 1.00 0.00 C ATOM 50 C SER A 6 0.121 34.403 13.529 1.00 0.00 C ATOM 51 O SER A 6 -0.370 33.480 14.177 1.00 0.00 O ATOM 52 CB SER A 6 2.557 34.353 14.100 1.00 0.00 C ATOM 53 OG SER A 6 2.366 33.180 14.871 1.00 0.00 O ATOM 0 H SER A 6 1.531 35.256 16.164 1.00 0.00 H new ATOM 0 HA SER A 6 1.454 36.072 13.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.830 34.081 13.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.386 34.930 14.509 1.00 0.00 H new ATOM 0 HG SER A 6 1.412 32.957 14.896 1.00 0.00 H new ATOM 59 N GLY A 7 -0.319 34.757 12.326 1.00 0.00 N ATOM 60 CA GLY A 7 -1.428 34.055 11.706 1.00 0.00 C ATOM 61 C GLY A 7 -0.966 32.957 10.768 1.00 0.00 C ATOM 62 O GLY A 7 -1.136 33.058 9.552 1.00 0.00 O ATOM 0 H GLY A 7 0.072 35.517 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.061 33.624 12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.041 34.767 11.153 1.00 0.00 H new ATOM 66 N ILE A 8 -0.381 31.906 11.332 1.00 0.00 N ATOM 67 CA ILE A 8 0.107 30.786 10.538 1.00 0.00 C ATOM 68 C ILE A 8 -0.476 29.466 11.033 1.00 0.00 C ATOM 69 O ILE A 8 -0.395 29.146 12.218 1.00 0.00 O ATOM 70 CB ILE A 8 1.644 30.699 10.570 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.260 31.992 10.031 1.00 0.00 C ATOM 72 CG2 ILE A 8 2.124 29.502 9.763 1.00 0.00 C ATOM 73 CD1 ILE A 8 3.638 32.282 10.586 1.00 0.00 C ATOM 0 H ILE A 8 -0.233 31.807 12.336 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.217 30.962 9.512 1.00 0.00 H new ATOM 0 HB ILE A 8 1.964 30.568 11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.320 31.931 8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.599 32.826 10.267 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.212 29.454 9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.708 28.588 10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.796 29.605 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.013 33.213 10.161 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.581 32.376 11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.314 31.467 10.327 1.00 0.00 H new ATOM 85 N ASN A 9 -1.062 28.703 10.116 1.00 0.00 N ATOM 86 CA ASN A 9 -1.657 27.417 10.459 1.00 0.00 C ATOM 87 C ASN A 9 -0.906 26.273 9.784 1.00 0.00 C ATOM 88 O ASN A 9 -1.291 25.813 8.710 1.00 0.00 O ATOM 89 CB ASN A 9 -3.130 27.387 10.047 1.00 0.00 C ATOM 90 CG ASN A 9 -3.947 28.459 10.743 1.00 0.00 C ATOM 91 OD1 ASN A 9 -4.113 28.434 11.963 1.00 0.00 O ATOM 92 ND2 ASN A 9 -4.461 29.407 9.968 1.00 0.00 N ATOM 0 H ASN A 9 -1.137 28.953 9.130 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.586 27.288 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.205 27.520 8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.549 26.408 10.278 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.020 30.155 10.379 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.297 29.387 8.961 1.00 0.00 H new ATOM 99 N GLN A 10 0.167 25.818 10.424 1.00 0.00 N ATOM 100 CA GLN A 10 0.972 24.728 9.885 1.00 0.00 C ATOM 101 C GLN A 10 0.180 23.425 9.865 1.00 0.00 C ATOM 102 O GLN A 10 0.337 22.579 10.745 1.00 0.00 O ATOM 103 CB GLN A 10 2.247 24.551 10.711 1.00 0.00 C ATOM 104 CG GLN A 10 3.337 25.553 10.370 1.00 0.00 C ATOM 105 CD GLN A 10 4.728 25.023 10.658 1.00 0.00 C ATOM 106 OE1 GLN A 10 4.894 24.050 11.394 1.00 0.00 O ATOM 107 NE2 GLN A 10 5.737 25.662 10.078 1.00 0.00 N ATOM 0 H GLN A 10 0.498 26.187 11.315 1.00 0.00 H new ATOM 0 HA GLN A 10 1.244 24.983 8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.000 24.641 11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.632 23.543 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.265 25.818 9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.176 26.468 10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.554 26.464 9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.696 25.351 10.235 1.00 0.00 H new ATOM 116 N GLN A 11 -0.672 23.271 8.856 1.00 0.00 N ATOM 117 CA GLN A 11 -1.489 22.071 8.723 1.00 0.00 C ATOM 118 C GLN A 11 -0.617 20.839 8.505 1.00 0.00 C ATOM 119 O GLN A 11 0.556 20.954 8.150 1.00 0.00 O ATOM 120 CB GLN A 11 -2.474 22.225 7.562 1.00 0.00 C ATOM 121 CG GLN A 11 -3.539 23.283 7.804 1.00 0.00 C ATOM 122 CD GLN A 11 -4.776 22.722 8.476 1.00 0.00 C ATOM 123 OE1 GLN A 11 -5.139 21.564 8.267 1.00 0.00 O ATOM 124 NE2 GLN A 11 -5.432 23.542 9.289 1.00 0.00 N ATOM 0 H GLN A 11 -0.814 23.962 8.119 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.048 21.938 9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.920 22.479 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.960 21.267 7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.122 24.077 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.820 23.735 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.096 24.494 9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.272 23.220 9.769 1.00 0.00 H new ATOM 133 N GLU A 12 -1.197 19.663 8.721 1.00 0.00 N ATOM 134 CA GLU A 12 -0.471 18.410 8.549 1.00 0.00 C ATOM 135 C GLU A 12 -1.434 17.252 8.304 1.00 0.00 C ATOM 136 O GLU A 12 -2.104 16.783 9.223 1.00 0.00 O ATOM 137 CB GLU A 12 0.390 18.121 9.780 1.00 0.00 C ATOM 138 CG GLU A 12 1.423 17.029 9.558 1.00 0.00 C ATOM 139 CD GLU A 12 2.353 16.857 10.743 1.00 0.00 C ATOM 140 OE1 GLU A 12 1.924 17.138 11.881 1.00 0.00 O ATOM 141 OE2 GLU A 12 3.511 16.439 10.531 1.00 0.00 O ATOM 0 H GLU A 12 -2.167 19.551 9.015 1.00 0.00 H new ATOM 0 HA GLU A 12 0.176 18.511 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.900 19.037 10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.259 17.833 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.913 16.086 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.011 17.265 8.671 1.00 0.00 H new ATOM 148 N ASP A 13 -1.497 16.797 7.057 1.00 0.00 N ATOM 149 CA ASP A 13 -2.376 15.693 6.690 1.00 0.00 C ATOM 150 C ASP A 13 -1.604 14.605 5.952 1.00 0.00 C ATOM 151 O ASP A 13 -1.648 13.434 6.329 1.00 0.00 O ATOM 152 CB ASP A 13 -3.527 16.199 5.819 1.00 0.00 C ATOM 153 CG ASP A 13 -4.092 15.117 4.920 1.00 0.00 C ATOM 154 OD1 ASP A 13 -4.468 14.048 5.444 1.00 0.00 O ATOM 155 OD2 ASP A 13 -4.157 15.338 3.692 1.00 0.00 O ATOM 0 H ASP A 13 -0.950 17.176 6.284 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.783 15.265 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.320 16.586 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.177 17.030 5.207 1.00 0.00 H new ATOM 160 N SER A 14 -0.897 14.999 4.897 1.00 0.00 N ATOM 161 CA SER A 14 -0.118 14.056 4.103 1.00 0.00 C ATOM 162 C SER A 14 1.291 13.905 4.667 1.00 0.00 C ATOM 163 O SER A 14 2.189 14.681 4.339 1.00 0.00 O ATOM 164 CB SER A 14 -0.051 14.518 2.646 1.00 0.00 C ATOM 165 OG SER A 14 -1.294 14.328 1.992 1.00 0.00 O ATOM 0 H SER A 14 -0.848 15.965 4.573 1.00 0.00 H new ATOM 0 HA SER A 14 -0.613 13.086 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.226 15.572 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.728 13.964 2.121 1.00 0.00 H new ATOM 0 HG SER A 14 -1.225 14.633 1.063 1.00 0.00 H new ATOM 171 N SER A 15 1.478 12.901 5.517 1.00 0.00 N ATOM 172 CA SER A 15 2.776 12.649 6.130 1.00 0.00 C ATOM 173 C SER A 15 3.568 11.624 5.324 1.00 0.00 C ATOM 174 O SER A 15 4.785 11.738 5.179 1.00 0.00 O ATOM 175 CB SER A 15 2.599 12.158 7.568 1.00 0.00 C ATOM 176 OG SER A 15 1.778 13.042 8.311 1.00 0.00 O ATOM 0 H SER A 15 0.746 12.248 5.797 1.00 0.00 H new ATOM 0 HA SER A 15 3.333 13.586 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.156 11.162 7.564 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.573 12.071 8.049 1.00 0.00 H new ATOM 0 HG SER A 15 1.679 12.705 9.226 1.00 0.00 H new ATOM 182 N GLU A 16 2.867 10.621 4.803 1.00 0.00 N ATOM 183 CA GLU A 16 3.505 9.574 4.013 1.00 0.00 C ATOM 184 C GLU A 16 4.459 8.749 4.872 1.00 0.00 C ATOM 185 O GLU A 16 5.587 8.466 4.469 1.00 0.00 O ATOM 186 CB GLU A 16 4.263 10.186 2.833 1.00 0.00 C ATOM 187 CG GLU A 16 4.323 9.281 1.613 1.00 0.00 C ATOM 188 CD GLU A 16 4.626 10.042 0.337 1.00 0.00 C ATOM 189 OE1 GLU A 16 5.693 10.688 0.272 1.00 0.00 O ATOM 190 OE2 GLU A 16 3.797 9.992 -0.595 1.00 0.00 O ATOM 0 H GLU A 16 1.859 10.512 4.914 1.00 0.00 H new ATOM 0 HA GLU A 16 2.725 8.915 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.787 11.126 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.279 10.424 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.087 8.519 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.371 8.761 1.504 1.00 0.00 H new ATOM 197 N SER A 17 3.996 8.365 6.057 1.00 0.00 N ATOM 198 CA SER A 17 4.809 7.576 6.976 1.00 0.00 C ATOM 199 C SER A 17 4.476 6.092 6.857 1.00 0.00 C ATOM 200 O SER A 17 3.341 5.720 6.557 1.00 0.00 O ATOM 201 CB SER A 17 4.591 8.046 8.415 1.00 0.00 C ATOM 202 OG SER A 17 5.332 9.224 8.685 1.00 0.00 O ATOM 0 H SER A 17 3.063 8.587 6.404 1.00 0.00 H new ATOM 0 HA SER A 17 5.857 7.718 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.530 8.233 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.889 7.258 9.107 1.00 0.00 H new ATOM 0 HG SER A 17 6.033 9.027 9.341 1.00 0.00 H new ATOM 208 N CYS A 18 5.474 5.247 7.095 1.00 0.00 N ATOM 209 CA CYS A 18 5.289 3.803 7.015 1.00 0.00 C ATOM 210 C CYS A 18 4.321 3.318 8.090 1.00 0.00 C ATOM 211 O CYS A 18 4.563 3.495 9.284 1.00 0.00 O ATOM 212 CB CYS A 18 6.633 3.088 7.164 1.00 0.00 C ATOM 213 SG CYS A 18 6.503 1.273 7.258 1.00 0.00 S ATOM 0 H CYS A 18 6.419 5.538 7.345 1.00 0.00 H new ATOM 0 HA CYS A 18 4.866 3.569 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.269 3.353 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.129 3.453 8.063 1.00 0.00 H new ATOM 218 N TRP A 19 3.224 2.706 7.658 1.00 0.00 N ATOM 219 CA TRP A 19 2.219 2.195 8.583 1.00 0.00 C ATOM 220 C TRP A 19 2.856 1.296 9.636 1.00 0.00 C ATOM 221 O TRP A 19 2.573 1.424 10.827 1.00 0.00 O ATOM 222 CB TRP A 19 1.140 1.424 7.821 1.00 0.00 C ATOM 223 CG TRP A 19 0.209 2.309 7.050 1.00 0.00 C ATOM 224 CD1 TRP A 19 0.480 3.555 6.560 1.00 0.00 C ATOM 225 CD2 TRP A 19 -1.144 2.018 6.684 1.00 0.00 C ATOM 226 NE1 TRP A 19 -0.624 4.055 5.911 1.00 0.00 N ATOM 227 CE2 TRP A 19 -1.633 3.131 5.972 1.00 0.00 C ATOM 228 CE3 TRP A 19 -1.990 0.924 6.887 1.00 0.00 C ATOM 229 CZ2 TRP A 19 -2.928 3.180 5.465 1.00 0.00 C ATOM 230 CZ3 TRP A 19 -3.276 0.974 6.383 1.00 0.00 C ATOM 231 CH2 TRP A 19 -3.735 2.095 5.678 1.00 0.00 C ATOM 0 H TRP A 19 3.008 2.552 6.673 1.00 0.00 H new ATOM 0 HA TRP A 19 1.760 3.045 9.088 1.00 0.00 H new ATOM 0 HB2 TRP A 19 1.619 0.727 7.134 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.562 0.829 8.528 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.423 4.071 6.667 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.682 4.967 5.457 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.645 0.055 7.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.284 4.044 4.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.939 0.135 6.535 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.745 2.103 5.295 1.00 0.00 H new ATOM 242 N ASN A 20 3.718 0.388 9.191 1.00 0.00 N ATOM 243 CA ASN A 20 4.394 -0.533 10.097 1.00 0.00 C ATOM 244 C ASN A 20 5.279 0.225 11.082 1.00 0.00 C ATOM 245 O ASN A 20 4.945 0.358 12.259 1.00 0.00 O ATOM 246 CB ASN A 20 5.236 -1.535 9.304 1.00 0.00 C ATOM 247 CG ASN A 20 5.893 -2.571 10.196 1.00 0.00 C ATOM 248 OD1 ASN A 20 5.216 -3.384 10.825 1.00 0.00 O ATOM 249 ND2 ASN A 20 7.220 -2.546 10.253 1.00 0.00 N ATOM 0 H ASN A 20 3.965 0.270 8.208 1.00 0.00 H new ATOM 0 HA ASN A 20 3.633 -1.073 10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.604 -2.038 8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.004 -0.999 8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.718 -3.219 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.741 -1.854 9.714 1.00 0.00 H new ATOM 256 N CYS A 21 6.411 0.721 10.591 1.00 0.00 N ATOM 257 CA CYS A 21 7.345 1.466 11.426 1.00 0.00 C ATOM 258 C CYS A 21 6.760 2.819 11.822 1.00 0.00 C ATOM 259 O CYS A 21 6.397 3.037 12.977 1.00 0.00 O ATOM 260 CB CYS A 21 8.671 1.667 10.691 1.00 0.00 C ATOM 261 SG CYS A 21 9.288 0.173 9.851 1.00 0.00 S ATOM 0 H CYS A 21 6.703 0.620 9.619 1.00 0.00 H new ATOM 0 HA CYS A 21 7.524 0.888 12.332 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.549 2.461 9.954 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.422 2.006 11.404 1.00 0.00 H new ATOM 266 N GLY A 22 6.673 3.727 10.854 1.00 0.00 N ATOM 267 CA GLY A 22 6.133 5.047 11.120 1.00 0.00 C ATOM 268 C GLY A 22 7.104 6.154 10.763 1.00 0.00 C ATOM 269 O GLY A 22 6.694 7.267 10.435 1.00 0.00 O ATOM 0 H GLY A 22 6.967 3.571 9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.211 5.180 10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.872 5.123 12.176 1.00 0.00 H new ATOM 273 N ARG A 23 8.396 5.849 10.829 1.00 0.00 N ATOM 274 CA ARG A 23 9.429 6.828 10.513 1.00 0.00 C ATOM 275 C ARG A 23 9.181 7.459 9.146 1.00 0.00 C ATOM 276 O ARG A 23 8.862 8.644 9.046 1.00 0.00 O ATOM 277 CB ARG A 23 10.810 6.171 10.540 1.00 0.00 C ATOM 278 CG ARG A 23 11.158 5.538 11.877 1.00 0.00 C ATOM 279 CD ARG A 23 12.662 5.399 12.054 1.00 0.00 C ATOM 280 NE ARG A 23 13.003 4.488 13.143 1.00 0.00 N ATOM 281 CZ ARG A 23 13.021 4.846 14.422 1.00 0.00 C ATOM 282 NH1 ARG A 23 12.719 6.089 14.770 1.00 0.00 N ATOM 283 NH2 ARG A 23 13.342 3.960 15.356 1.00 0.00 N ATOM 0 H ARG A 23 8.752 4.932 11.098 1.00 0.00 H new ATOM 0 HA ARG A 23 9.393 7.613 11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.855 5.407 9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.564 6.919 10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.750 6.145 12.685 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.690 4.556 11.949 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.104 5.036 11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.096 6.379 12.252 1.00 0.00 H new ATOM 0 HE ARG A 23 13.240 3.524 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.472 6.773 14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.734 6.361 15.753 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.575 3.003 15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.355 4.236 16.338 1.00 0.00 H new ATOM 297 N LYS A 24 9.329 6.659 8.096 1.00 0.00 N ATOM 298 CA LYS A 24 9.121 7.138 6.734 1.00 0.00 C ATOM 299 C LYS A 24 8.699 5.995 5.815 1.00 0.00 C ATOM 300 O LYS A 24 9.097 4.848 6.013 1.00 0.00 O ATOM 301 CB LYS A 24 10.397 7.791 6.200 1.00 0.00 C ATOM 302 CG LYS A 24 10.291 8.238 4.752 1.00 0.00 C ATOM 303 CD LYS A 24 9.651 9.611 4.637 1.00 0.00 C ATOM 304 CE LYS A 24 10.153 10.360 3.413 1.00 0.00 C ATOM 305 NZ LYS A 24 9.417 9.965 2.180 1.00 0.00 N ATOM 0 H LYS A 24 9.592 5.676 8.162 1.00 0.00 H new ATOM 0 HA LYS A 24 8.322 7.880 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.641 8.653 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.223 7.086 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.284 8.260 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.703 7.513 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.568 9.505 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.868 10.191 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.043 11.433 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.217 10.165 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.789 10.498 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.542 8.946 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.405 10.175 2.298 1.00 0.00 H new ATOM 319 N ALA A 25 7.893 6.318 4.809 1.00 0.00 N ATOM 320 CA ALA A 25 7.420 5.320 3.858 1.00 0.00 C ATOM 321 C ALA A 25 7.929 5.618 2.452 1.00 0.00 C ATOM 322 O ALA A 25 7.795 6.737 1.957 1.00 0.00 O ATOM 323 CB ALA A 25 5.900 5.258 3.869 1.00 0.00 C ATOM 0 H ALA A 25 7.554 7.263 4.632 1.00 0.00 H new ATOM 0 HA ALA A 25 7.814 4.350 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.561 4.508 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.554 4.990 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.494 6.231 3.594 1.00 0.00 H new ATOM 329 N SER A 26 8.514 4.609 1.813 1.00 0.00 N ATOM 330 CA SER A 26 9.047 4.765 0.464 1.00 0.00 C ATOM 331 C SER A 26 8.167 4.046 -0.554 1.00 0.00 C ATOM 332 O SER A 26 7.960 4.534 -1.664 1.00 0.00 O ATOM 333 CB SER A 26 10.476 4.223 0.393 1.00 0.00 C ATOM 334 OG SER A 26 11.290 4.796 1.402 1.00 0.00 O ATOM 0 H SER A 26 8.631 3.676 2.207 1.00 0.00 H new ATOM 0 HA SER A 26 9.056 5.828 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.463 3.139 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.901 4.438 -0.587 1.00 0.00 H new ATOM 0 HG SER A 26 12.197 4.432 1.336 1.00 0.00 H new ATOM 340 N GLU A 27 7.653 2.883 -0.166 1.00 0.00 N ATOM 341 CA GLU A 27 6.796 2.096 -1.045 1.00 0.00 C ATOM 342 C GLU A 27 5.339 2.179 -0.601 1.00 0.00 C ATOM 343 O GLU A 27 5.024 2.776 0.429 1.00 0.00 O ATOM 344 CB GLU A 27 7.252 0.636 -1.066 1.00 0.00 C ATOM 345 CG GLU A 27 8.329 0.349 -2.099 1.00 0.00 C ATOM 346 CD GLU A 27 7.772 0.228 -3.504 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.459 1.273 -4.111 1.00 0.00 O ATOM 348 OE2 GLU A 27 7.651 -0.913 -3.997 1.00 0.00 O ATOM 0 H GLU A 27 7.815 2.465 0.750 1.00 0.00 H new ATOM 0 HA GLU A 27 6.875 2.508 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.627 0.367 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.391 -0.002 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.072 1.146 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.843 -0.575 -1.835 1.00 0.00 H new ATOM 355 N THR A 28 4.452 1.575 -1.386 1.00 0.00 N ATOM 356 CA THR A 28 3.028 1.581 -1.076 1.00 0.00 C ATOM 357 C THR A 28 2.358 0.292 -1.540 1.00 0.00 C ATOM 358 O THR A 28 2.741 -0.287 -2.557 1.00 0.00 O ATOM 359 CB THR A 28 2.315 2.780 -1.730 1.00 0.00 C ATOM 360 OG1 THR A 28 3.016 3.991 -1.426 1.00 0.00 O ATOM 361 CG2 THR A 28 0.877 2.885 -1.246 1.00 0.00 C ATOM 0 H THR A 28 4.695 1.075 -2.241 1.00 0.00 H new ATOM 0 HA THR A 28 2.942 1.663 0.007 1.00 0.00 H new ATOM 0 HB THR A 28 2.307 2.626 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.657 4.722 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.394 3.739 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.339 1.973 -1.505 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.866 3.018 -0.164 1.00 0.00 H new ATOM 369 N CYS A 29 1.356 -0.152 -0.789 1.00 0.00 N ATOM 370 CA CYS A 29 0.632 -1.373 -1.123 1.00 0.00 C ATOM 371 C CYS A 29 0.215 -1.374 -2.591 1.00 0.00 C ATOM 372 O CYS A 29 -0.549 -0.514 -3.031 1.00 0.00 O ATOM 373 CB CYS A 29 -0.602 -1.519 -0.231 1.00 0.00 C ATOM 374 SG CYS A 29 -1.733 -2.853 -0.740 1.00 0.00 S ATOM 0 H CYS A 29 1.027 0.316 0.055 1.00 0.00 H new ATOM 0 HA CYS A 29 1.298 -2.219 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.277 -1.703 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.148 -0.576 -0.227 1.00 0.00 H new ATOM 379 N SER A 30 0.722 -2.344 -3.344 1.00 0.00 N ATOM 380 CA SER A 30 0.406 -2.456 -4.763 1.00 0.00 C ATOM 381 C SER A 30 -0.944 -3.137 -4.967 1.00 0.00 C ATOM 382 O SER A 30 -1.144 -3.866 -5.937 1.00 0.00 O ATOM 383 CB SER A 30 1.500 -3.239 -5.492 1.00 0.00 C ATOM 384 OG SER A 30 1.667 -4.527 -4.926 1.00 0.00 O ATOM 0 H SER A 30 1.354 -3.065 -2.995 1.00 0.00 H new ATOM 0 HA SER A 30 0.352 -1.449 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.243 -3.332 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.441 -2.691 -5.440 1.00 0.00 H new ATOM 0 HG SER A 30 2.370 -5.008 -5.410 1.00 0.00 H new ATOM 390 N GLY A 31 -1.869 -2.892 -4.043 1.00 0.00 N ATOM 391 CA GLY A 31 -3.188 -3.489 -4.138 1.00 0.00 C ATOM 392 C GLY A 31 -4.298 -2.476 -3.937 1.00 0.00 C ATOM 393 O GLY A 31 -5.322 -2.522 -4.620 1.00 0.00 O ATOM 0 H GLY A 31 -1.728 -2.291 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.301 -3.959 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.281 -4.278 -3.392 1.00 0.00 H new ATOM 397 N CYS A 32 -4.097 -1.559 -2.997 1.00 0.00 N ATOM 398 CA CYS A 32 -5.089 -0.531 -2.706 1.00 0.00 C ATOM 399 C CYS A 32 -4.475 0.862 -2.806 1.00 0.00 C ATOM 400 O CYS A 32 -5.188 1.861 -2.896 1.00 0.00 O ATOM 401 CB CYS A 32 -5.677 -0.742 -1.309 1.00 0.00 C ATOM 402 SG CYS A 32 -4.451 -0.655 0.035 1.00 0.00 S ATOM 0 H CYS A 32 -3.255 -1.507 -2.423 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.886 -0.611 -3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.447 0.009 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.168 -1.715 -1.276 1.00 0.00 H new ATOM 407 N ASN A 33 -3.147 0.920 -2.791 1.00 0.00 N ATOM 408 CA ASN A 33 -2.436 2.190 -2.880 1.00 0.00 C ATOM 409 C ASN A 33 -2.803 3.102 -1.712 1.00 0.00 C ATOM 410 O ASN A 33 -2.893 4.320 -1.866 1.00 0.00 O ATOM 411 CB ASN A 33 -2.756 2.885 -4.204 1.00 0.00 C ATOM 412 CG ASN A 33 -1.806 4.030 -4.501 1.00 0.00 C ATOM 413 OD1 ASN A 33 -2.219 5.186 -4.595 1.00 0.00 O ATOM 414 ND2 ASN A 33 -0.525 3.712 -4.649 1.00 0.00 N ATOM 0 H ASN A 33 -2.542 0.102 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.367 1.984 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.708 2.157 -5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.778 3.263 -4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.161 4.440 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.227 2.740 -4.563 1.00 0.00 H new ATOM 421 N THR A 34 -3.013 2.503 -0.544 1.00 0.00 N ATOM 422 CA THR A 34 -3.370 3.259 0.649 1.00 0.00 C ATOM 423 C THR A 34 -2.357 3.035 1.766 1.00 0.00 C ATOM 424 O THR A 34 -1.930 3.981 2.428 1.00 0.00 O ATOM 425 CB THR A 34 -4.772 2.876 1.159 1.00 0.00 C ATOM 426 OG1 THR A 34 -5.762 3.238 0.189 1.00 0.00 O ATOM 427 CG2 THR A 34 -5.075 3.564 2.481 1.00 0.00 C ATOM 0 H THR A 34 -2.942 1.496 -0.399 1.00 0.00 H new ATOM 0 HA THR A 34 -3.369 4.312 0.367 1.00 0.00 H new ATOM 0 HB THR A 34 -4.794 1.798 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.650 2.990 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.070 3.278 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.337 3.263 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.035 4.645 2.346 1.00 0.00 H new ATOM 435 N ALA A 35 -1.976 1.779 1.969 1.00 0.00 N ATOM 436 CA ALA A 35 -1.010 1.431 3.004 1.00 0.00 C ATOM 437 C ALA A 35 0.412 1.758 2.561 1.00 0.00 C ATOM 438 O ALA A 35 0.909 1.204 1.580 1.00 0.00 O ATOM 439 CB ALA A 35 -1.128 -0.043 3.363 1.00 0.00 C ATOM 0 H ALA A 35 -2.321 0.985 1.430 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.233 2.028 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.401 -0.288 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.133 -0.248 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.935 -0.650 2.478 1.00 0.00 H new ATOM 445 N ARG A 36 1.061 2.661 3.289 1.00 0.00 N ATOM 446 CA ARG A 36 2.426 3.062 2.968 1.00 0.00 C ATOM 447 C ARG A 36 3.436 2.208 3.728 1.00 0.00 C ATOM 448 O ARG A 36 3.136 1.675 4.796 1.00 0.00 O ATOM 449 CB ARG A 36 2.637 4.540 3.304 1.00 0.00 C ATOM 450 CG ARG A 36 1.616 5.463 2.659 1.00 0.00 C ATOM 451 CD ARG A 36 1.982 5.780 1.218 1.00 0.00 C ATOM 452 NE ARG A 36 1.248 6.934 0.707 1.00 0.00 N ATOM 453 CZ ARG A 36 1.563 7.568 -0.417 1.00 0.00 C ATOM 454 NH1 ARG A 36 2.594 7.160 -1.144 1.00 0.00 N ATOM 455 NH2 ARG A 36 0.847 8.611 -0.816 1.00 0.00 N ATOM 0 H ARG A 36 0.664 3.128 4.104 1.00 0.00 H new ATOM 0 HA ARG A 36 2.581 2.913 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.597 4.667 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.636 4.837 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.631 4.997 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.549 6.389 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.053 5.973 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.774 4.912 0.592 1.00 0.00 H new ATOM 0 HE ARG A 36 0.449 7.272 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.147 6.358 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.835 7.648 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.053 8.927 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.090 9.097 -1.679 1.00 0.00 H new ATOM 469 N TYR A 37 4.634 2.081 3.168 1.00 0.00 N ATOM 470 CA TYR A 37 5.689 1.289 3.791 1.00 0.00 C ATOM 471 C TYR A 37 7.063 1.877 3.488 1.00 0.00 C ATOM 472 O TYR A 37 7.251 2.563 2.482 1.00 0.00 O ATOM 473 CB TYR A 37 5.623 -0.159 3.303 1.00 0.00 C ATOM 474 CG TYR A 37 4.474 -0.945 3.894 1.00 0.00 C ATOM 475 CD1 TYR A 37 4.342 -1.092 5.269 1.00 0.00 C ATOM 476 CD2 TYR A 37 3.522 -1.543 3.077 1.00 0.00 C ATOM 477 CE1 TYR A 37 3.295 -1.810 5.814 1.00 0.00 C ATOM 478 CE2 TYR A 37 2.471 -2.261 3.613 1.00 0.00 C ATOM 479 CZ TYR A 37 2.362 -2.392 4.982 1.00 0.00 C ATOM 480 OH TYR A 37 1.317 -3.108 5.519 1.00 0.00 O ATOM 0 H TYR A 37 4.899 2.516 2.284 1.00 0.00 H new ATOM 0 HA TYR A 37 5.535 1.310 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.535 -0.164 2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.559 -0.660 3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.071 -0.637 5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.605 -1.445 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.208 -1.915 6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.738 -2.717 2.964 1.00 0.00 H new ATOM 0 HH TYR A 37 1.153 -3.906 4.974 1.00 0.00 H new ATOM 490 N CYS A 38 8.023 1.604 4.365 1.00 0.00 N ATOM 491 CA CYS A 38 9.381 2.105 4.194 1.00 0.00 C ATOM 492 C CYS A 38 10.118 1.320 3.113 1.00 0.00 C ATOM 493 O CYS A 38 11.240 1.660 2.740 1.00 0.00 O ATOM 494 CB CYS A 38 10.149 2.019 5.515 1.00 0.00 C ATOM 495 SG CYS A 38 10.214 0.344 6.229 1.00 0.00 S ATOM 0 H CYS A 38 7.885 1.038 5.202 1.00 0.00 H new ATOM 0 HA CYS A 38 9.320 3.148 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.167 2.374 5.355 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.686 2.692 6.237 1.00 0.00 H new ATOM 500 N GLY A 39 9.477 0.268 2.612 1.00 0.00 N ATOM 501 CA GLY A 39 10.086 -0.549 1.579 1.00 0.00 C ATOM 502 C GLY A 39 9.252 -1.767 1.236 1.00 0.00 C ATOM 503 O GLY A 39 8.455 -2.231 2.051 1.00 0.00 O ATOM 0 H GLY A 39 8.547 -0.033 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.230 0.053 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.074 -0.870 1.909 1.00 0.00 H new ATOM 507 N SER A 40 9.434 -2.286 0.026 1.00 0.00 N ATOM 508 CA SER A 40 8.688 -3.454 -0.426 1.00 0.00 C ATOM 509 C SER A 40 8.693 -4.547 0.640 1.00 0.00 C ATOM 510 O SER A 40 7.682 -5.210 0.870 1.00 0.00 O ATOM 511 CB SER A 40 9.282 -3.994 -1.728 1.00 0.00 C ATOM 512 OG SER A 40 10.682 -4.182 -1.611 1.00 0.00 O ATOM 0 H SER A 40 10.092 -1.915 -0.659 1.00 0.00 H new ATOM 0 HA SER A 40 7.657 -3.149 -0.605 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.805 -4.940 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.072 -3.301 -2.542 1.00 0.00 H new ATOM 0 HG SER A 40 11.037 -4.529 -2.456 1.00 0.00 H new ATOM 518 N PHE A 41 9.839 -4.728 1.287 1.00 0.00 N ATOM 519 CA PHE A 41 9.978 -5.740 2.327 1.00 0.00 C ATOM 520 C PHE A 41 8.953 -5.523 3.437 1.00 0.00 C ATOM 521 O PHE A 41 8.145 -6.404 3.732 1.00 0.00 O ATOM 522 CB PHE A 41 11.392 -5.711 2.911 1.00 0.00 C ATOM 523 CG PHE A 41 11.635 -6.771 3.947 1.00 0.00 C ATOM 524 CD1 PHE A 41 11.640 -8.112 3.597 1.00 0.00 C ATOM 525 CD2 PHE A 41 11.859 -6.428 5.270 1.00 0.00 C ATOM 526 CE1 PHE A 41 11.862 -9.090 4.548 1.00 0.00 C ATOM 527 CE2 PHE A 41 12.083 -7.401 6.226 1.00 0.00 C ATOM 528 CZ PHE A 41 12.085 -8.734 5.864 1.00 0.00 C ATOM 0 H PHE A 41 10.685 -4.187 1.109 1.00 0.00 H new ATOM 0 HA PHE A 41 9.799 -6.716 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.113 -5.833 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.573 -4.732 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.468 -8.396 2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.859 -5.387 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.861 -10.132 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.256 -7.119 7.254 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.261 -9.497 6.608 1.00 0.00 H new ATOM 538 N CYS A 42 8.994 -4.345 4.049 1.00 0.00 N ATOM 539 CA CYS A 42 8.071 -4.010 5.127 1.00 0.00 C ATOM 540 C CYS A 42 6.626 -4.263 4.704 1.00 0.00 C ATOM 541 O CYS A 42 5.768 -4.552 5.537 1.00 0.00 O ATOM 542 CB CYS A 42 8.244 -2.547 5.540 1.00 0.00 C ATOM 543 SG CYS A 42 7.537 -2.146 7.171 1.00 0.00 S ATOM 0 H CYS A 42 9.657 -3.605 3.817 1.00 0.00 H new ATOM 0 HA CYS A 42 8.300 -4.650 5.979 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.307 -2.306 5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.778 -1.911 4.788 1.00 0.00 H new ATOM 548 N GLN A 43 6.368 -4.153 3.405 1.00 0.00 N ATOM 549 CA GLN A 43 5.028 -4.369 2.873 1.00 0.00 C ATOM 550 C GLN A 43 4.686 -5.855 2.845 1.00 0.00 C ATOM 551 O GLN A 43 3.623 -6.267 3.310 1.00 0.00 O ATOM 552 CB GLN A 43 4.915 -3.781 1.465 1.00 0.00 C ATOM 553 CG GLN A 43 3.576 -4.052 0.798 1.00 0.00 C ATOM 554 CD GLN A 43 3.639 -3.926 -0.711 1.00 0.00 C ATOM 555 OE1 GLN A 43 4.447 -3.168 -1.249 1.00 0.00 O ATOM 556 NE2 GLN A 43 2.785 -4.669 -1.404 1.00 0.00 N ATOM 0 H GLN A 43 7.068 -3.916 2.702 1.00 0.00 H new ATOM 0 HA GLN A 43 4.318 -3.864 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.075 -2.704 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.711 -4.192 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.240 -5.055 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.833 -3.355 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.132 -5.284 -0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.781 -4.625 -2.423 1.00 0.00 H new ATOM 565 N HIS A 44 5.594 -6.656 2.297 1.00 0.00 N ATOM 566 CA HIS A 44 5.389 -8.097 2.209 1.00 0.00 C ATOM 567 C HIS A 44 5.091 -8.689 3.583 1.00 0.00 C ATOM 568 O HIS A 44 4.126 -9.433 3.755 1.00 0.00 O ATOM 569 CB HIS A 44 6.621 -8.773 1.606 1.00 0.00 C ATOM 570 CG HIS A 44 6.623 -8.790 0.108 1.00 0.00 C ATOM 571 ND1 HIS A 44 6.504 -9.947 -0.632 1.00 0.00 N ATOM 572 CD2 HIS A 44 6.728 -7.781 -0.788 1.00 0.00 C ATOM 573 CE1 HIS A 44 6.537 -9.650 -1.918 1.00 0.00 C ATOM 574 NE2 HIS A 44 6.672 -8.342 -2.041 1.00 0.00 N ATOM 0 H HIS A 44 6.479 -6.331 1.907 1.00 0.00 H new ATOM 0 HA HIS A 44 4.531 -8.278 1.561 1.00 0.00 H new ATOM 0 HB2 HIS A 44 7.516 -8.258 1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.679 -9.798 1.973 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.836 -6.731 -0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.466 -10.357 -2.731 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.726 -7.832 -2.922 1.00 0.00 H new ATOM 583 N LYS A 45 5.927 -8.353 4.560 1.00 0.00 N ATOM 584 CA LYS A 45 5.754 -8.849 5.920 1.00 0.00 C ATOM 585 C LYS A 45 4.488 -8.278 6.551 1.00 0.00 C ATOM 586 O LYS A 45 3.807 -8.955 7.321 1.00 0.00 O ATOM 587 CB LYS A 45 6.971 -8.488 6.775 1.00 0.00 C ATOM 588 CG LYS A 45 7.279 -7.001 6.797 1.00 0.00 C ATOM 589 CD LYS A 45 8.138 -6.628 7.993 1.00 0.00 C ATOM 590 CE LYS A 45 9.537 -7.213 7.880 1.00 0.00 C ATOM 591 NZ LYS A 45 9.607 -8.595 8.430 1.00 0.00 N ATOM 0 H LYS A 45 6.732 -7.739 4.435 1.00 0.00 H new ATOM 0 HA LYS A 45 5.658 -9.934 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.802 -8.831 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.841 -9.025 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.793 -6.721 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.347 -6.436 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.202 -5.543 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.665 -6.987 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.843 -7.223 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.242 -6.574 8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.341 -8.639 9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.688 -8.851 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.841 -9.261 7.666 1.00 0.00 H new ATOM 605 N ASP A 46 4.179 -7.029 6.219 1.00 0.00 N ATOM 606 CA ASP A 46 2.993 -6.368 6.751 1.00 0.00 C ATOM 607 C ASP A 46 1.831 -6.463 5.768 1.00 0.00 C ATOM 608 O ASP A 46 0.827 -5.764 5.909 1.00 0.00 O ATOM 609 CB ASP A 46 3.297 -4.901 7.061 1.00 0.00 C ATOM 610 CG ASP A 46 2.413 -4.347 8.161 1.00 0.00 C ATOM 611 OD1 ASP A 46 1.175 -4.439 8.029 1.00 0.00 O ATOM 612 OD2 ASP A 46 2.959 -3.819 9.152 1.00 0.00 O ATOM 0 H ASP A 46 4.733 -6.454 5.584 1.00 0.00 H new ATOM 0 HA ASP A 46 2.707 -6.875 7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.342 -4.804 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.163 -4.306 6.157 1.00 0.00 H new ATOM 617 N TRP A 47 1.974 -7.330 4.773 1.00 0.00 N ATOM 618 CA TRP A 47 0.936 -7.516 3.765 1.00 0.00 C ATOM 619 C TRP A 47 -0.085 -8.553 4.220 1.00 0.00 C ATOM 620 O TRP A 47 -1.257 -8.235 4.423 1.00 0.00 O ATOM 621 CB TRP A 47 1.558 -7.943 2.435 1.00 0.00 C ATOM 622 CG TRP A 47 0.557 -8.480 1.457 1.00 0.00 C ATOM 623 CD1 TRP A 47 0.509 -9.745 0.944 1.00 0.00 C ATOM 624 CD2 TRP A 47 -0.538 -7.766 0.873 1.00 0.00 C ATOM 625 NE1 TRP A 47 -0.550 -9.860 0.076 1.00 0.00 N ATOM 626 CE2 TRP A 47 -1.209 -8.661 0.016 1.00 0.00 C ATOM 627 CE3 TRP A 47 -1.019 -6.460 0.992 1.00 0.00 C ATOM 628 CZ2 TRP A 47 -2.332 -8.288 -0.718 1.00 0.00 C ATOM 629 CZ3 TRP A 47 -2.134 -6.091 0.263 1.00 0.00 C ATOM 630 CH2 TRP A 47 -2.781 -7.003 -0.582 1.00 0.00 C ATOM 0 H TRP A 47 2.799 -7.916 4.642 1.00 0.00 H new ATOM 0 HA TRP A 47 0.423 -6.564 3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.068 -7.089 1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 47 2.315 -8.704 2.624 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.201 -10.538 1.185 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -0.804 -10.702 -0.440 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -0.528 -5.751 1.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.831 -8.988 -1.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.513 -5.083 0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.651 -6.685 -1.137 1.00 0.00 H new ATOM 641 N GLU A 48 0.367 -9.793 4.378 1.00 0.00 N ATOM 642 CA GLU A 48 -0.509 -10.876 4.808 1.00 0.00 C ATOM 643 C GLU A 48 -1.444 -10.410 5.920 1.00 0.00 C ATOM 644 O GLU A 48 -2.522 -10.972 6.118 1.00 0.00 O ATOM 645 CB GLU A 48 0.318 -12.070 5.289 1.00 0.00 C ATOM 646 CG GLU A 48 1.354 -11.710 6.340 1.00 0.00 C ATOM 647 CD GLU A 48 1.635 -12.851 7.298 1.00 0.00 C ATOM 648 OE1 GLU A 48 0.664 -13.471 7.782 1.00 0.00 O ATOM 649 OE2 GLU A 48 2.824 -13.124 7.564 1.00 0.00 O ATOM 0 H GLU A 48 1.334 -10.072 4.215 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.113 -11.182 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.354 -12.825 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.822 -12.520 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.281 -11.419 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.008 -10.844 6.904 1.00 0.00 H new ATOM 656 N LYS A 49 -1.024 -9.379 6.645 1.00 0.00 N ATOM 657 CA LYS A 49 -1.822 -8.835 7.738 1.00 0.00 C ATOM 658 C LYS A 49 -2.671 -7.662 7.259 1.00 0.00 C ATOM 659 O LYS A 49 -3.837 -7.532 7.636 1.00 0.00 O ATOM 660 CB LYS A 49 -0.914 -8.387 8.885 1.00 0.00 C ATOM 661 CG LYS A 49 -0.018 -9.491 9.419 1.00 0.00 C ATOM 662 CD LYS A 49 -0.694 -10.267 10.536 1.00 0.00 C ATOM 663 CE LYS A 49 -1.452 -11.471 9.999 1.00 0.00 C ATOM 664 NZ LYS A 49 -2.638 -11.799 10.839 1.00 0.00 N ATOM 0 H LYS A 49 -0.135 -8.903 6.495 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.488 -9.620 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.292 -7.560 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.532 -8.006 9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.244 -10.172 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.913 -9.059 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.055 -10.599 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.382 -9.612 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.775 -11.271 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.785 -12.332 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.128 -12.625 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.328 -12.015 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.287 -10.986 10.856 1.00 0.00 H new ATOM 678 N HIS A 50 -2.082 -6.811 6.426 1.00 0.00 N ATOM 679 CA HIS A 50 -2.786 -5.649 5.894 1.00 0.00 C ATOM 680 C HIS A 50 -3.891 -6.077 4.933 1.00 0.00 C ATOM 681 O HIS A 50 -5.044 -5.667 5.074 1.00 0.00 O ATOM 682 CB HIS A 50 -1.807 -4.716 5.181 1.00 0.00 C ATOM 683 CG HIS A 50 -2.476 -3.715 4.290 1.00 0.00 C ATOM 684 ND1 HIS A 50 -3.206 -2.648 4.771 1.00 0.00 N ATOM 685 CD2 HIS A 50 -2.520 -3.622 2.940 1.00 0.00 C ATOM 686 CE1 HIS A 50 -3.672 -1.943 3.755 1.00 0.00 C ATOM 687 NE2 HIS A 50 -3.270 -2.513 2.633 1.00 0.00 N ATOM 0 H HIS A 50 -1.119 -6.904 6.104 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.241 -5.116 6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.213 -4.187 5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.115 -5.313 4.588 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.362 -2.436 5.757 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.053 -4.294 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.278 -1.052 3.829 1.00 0.00 H new ATOM 696 N HIS A 51 -3.532 -6.903 3.956 1.00 0.00 N ATOM 697 CA HIS A 51 -4.493 -7.386 2.971 1.00 0.00 C ATOM 698 C HIS A 51 -5.806 -7.781 3.642 1.00 0.00 C ATOM 699 O HIS A 51 -6.854 -7.833 2.997 1.00 0.00 O ATOM 700 CB HIS A 51 -3.918 -8.579 2.208 1.00 0.00 C ATOM 701 CG HIS A 51 -4.964 -9.495 1.650 1.00 0.00 C ATOM 702 ND1 HIS A 51 -5.981 -9.062 0.826 1.00 0.00 N ATOM 703 CD2 HIS A 51 -5.146 -10.828 1.802 1.00 0.00 C ATOM 704 CE1 HIS A 51 -6.745 -10.089 0.496 1.00 0.00 C ATOM 705 NE2 HIS A 51 -6.259 -11.172 1.075 1.00 0.00 N ATOM 0 H HIS A 51 -2.583 -7.252 3.825 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.693 -6.577 2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.296 -8.212 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.268 -9.146 2.874 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.122 -8.100 0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.531 -11.496 2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.618 -10.049 -0.139 1.00 0.00 H new ATOM 714 N HIS A 52 -5.741 -8.060 4.940 1.00 0.00 N ATOM 715 CA HIS A 52 -6.924 -8.451 5.698 1.00 0.00 C ATOM 716 C HIS A 52 -7.964 -7.334 5.695 1.00 0.00 C ATOM 717 O HIS A 52 -9.077 -7.509 6.192 1.00 0.00 O ATOM 718 CB HIS A 52 -6.542 -8.804 7.135 1.00 0.00 C ATOM 719 CG HIS A 52 -5.694 -10.034 7.244 1.00 0.00 C ATOM 720 ND1 HIS A 52 -5.777 -11.086 6.357 1.00 0.00 N ATOM 721 CD2 HIS A 52 -4.741 -10.375 8.143 1.00 0.00 C ATOM 722 CE1 HIS A 52 -4.913 -12.023 6.706 1.00 0.00 C ATOM 723 NE2 HIS A 52 -4.271 -11.616 7.786 1.00 0.00 N ATOM 0 H HIS A 52 -4.882 -8.023 5.489 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.358 -9.329 5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.007 -7.963 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.451 -8.946 7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.412 -9.782 8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.758 -12.962 6.195 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.544 -12.138 8.276 1.00 0.00 H new ATOM 732 N ILE A 53 -7.593 -6.188 5.134 1.00 0.00 N ATOM 733 CA ILE A 53 -8.494 -5.044 5.068 1.00 0.00 C ATOM 734 C ILE A 53 -8.722 -4.608 3.624 1.00 0.00 C ATOM 735 O ILE A 53 -9.800 -4.127 3.272 1.00 0.00 O ATOM 736 CB ILE A 53 -7.949 -3.851 5.873 1.00 0.00 C ATOM 737 CG1 ILE A 53 -6.897 -3.095 5.059 1.00 0.00 C ATOM 738 CG2 ILE A 53 -7.363 -4.327 7.194 1.00 0.00 C ATOM 739 CD1 ILE A 53 -6.364 -1.863 5.755 1.00 0.00 C ATOM 0 H ILE A 53 -6.675 -6.027 4.719 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.441 -5.362 5.503 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.773 -3.170 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.067 -3.767 4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.331 -2.803 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.982 -3.472 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.138 -4.825 7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.549 -5.026 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.623 -1.378 5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.184 -1.171 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.900 -2.150 6.699 1.00 0.00 H new ATOM 751 N CYS A 54 -7.701 -4.779 2.792 1.00 0.00 N ATOM 752 CA CYS A 54 -7.789 -4.405 1.386 1.00 0.00 C ATOM 753 C CYS A 54 -7.866 -5.642 0.497 1.00 0.00 C ATOM 754 O CYS A 54 -7.527 -6.747 0.922 1.00 0.00 O ATOM 755 CB CYS A 54 -6.583 -3.552 0.987 1.00 0.00 C ATOM 756 SG CYS A 54 -5.056 -4.506 0.712 1.00 0.00 S ATOM 0 H CYS A 54 -6.802 -5.175 3.067 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.700 -3.823 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.825 -3.003 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.401 -2.812 1.766 1.00 0.00 H new ATOM 761 N SER A 55 -8.314 -5.449 -0.740 1.00 0.00 N ATOM 762 CA SER A 55 -8.440 -6.550 -1.688 1.00 0.00 C ATOM 763 C SER A 55 -7.067 -7.083 -2.086 1.00 0.00 C ATOM 764 O SER A 55 -6.712 -8.217 -1.767 1.00 0.00 O ATOM 765 CB SER A 55 -9.203 -6.094 -2.933 1.00 0.00 C ATOM 766 OG SER A 55 -9.124 -7.063 -3.963 1.00 0.00 O ATOM 0 H SER A 55 -8.596 -4.541 -1.109 1.00 0.00 H new ATOM 0 HA SER A 55 -8.996 -7.353 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.247 -5.914 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.794 -5.148 -3.288 1.00 0.00 H new ATOM 0 HG SER A 55 -9.621 -6.748 -4.747 1.00 0.00 H new ATOM 772 N GLY A 56 -6.298 -6.255 -2.787 1.00 0.00 N ATOM 773 CA GLY A 56 -4.972 -6.659 -3.218 1.00 0.00 C ATOM 774 C GLY A 56 -4.865 -6.781 -4.725 1.00 0.00 C ATOM 775 O GLY A 56 -5.867 -6.821 -5.439 1.00 0.00 O ATOM 0 H GLY A 56 -6.570 -5.312 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.241 -5.933 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.720 -7.616 -2.760 1.00 0.00 H new ATOM 779 N PRO A 57 -3.624 -6.839 -5.232 1.00 0.00 N ATOM 780 CA PRO A 57 -3.360 -6.955 -6.669 1.00 0.00 C ATOM 781 C PRO A 57 -3.755 -8.321 -7.222 1.00 0.00 C ATOM 782 O PRO A 57 -2.926 -9.225 -7.319 1.00 0.00 O ATOM 783 CB PRO A 57 -1.846 -6.756 -6.768 1.00 0.00 C ATOM 784 CG PRO A 57 -1.321 -7.167 -5.436 1.00 0.00 C ATOM 785 CD PRO A 57 -2.384 -6.795 -4.439 1.00 0.00 C ATOM 0 HA PRO A 57 -3.937 -6.235 -7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.419 -7.363 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.597 -5.718 -6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.119 -8.238 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.382 -6.660 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.415 -7.496 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.211 -5.805 -4.018 1.00 0.00 H new ATOM 793 N SER A 58 -5.026 -8.462 -7.583 1.00 0.00 N ATOM 794 CA SER A 58 -5.532 -9.719 -8.124 1.00 0.00 C ATOM 795 C SER A 58 -4.830 -10.910 -7.477 1.00 0.00 C ATOM 796 O SER A 58 -4.460 -11.869 -8.154 1.00 0.00 O ATOM 797 CB SER A 58 -5.338 -9.760 -9.641 1.00 0.00 C ATOM 798 OG SER A 58 -3.964 -9.843 -9.978 1.00 0.00 O ATOM 0 H SER A 58 -5.724 -7.722 -7.511 1.00 0.00 H new ATOM 0 HA SER A 58 -6.597 -9.781 -7.899 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.870 -10.617 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.772 -8.867 -10.090 1.00 0.00 H new ATOM 0 HG SER A 58 -3.867 -9.869 -10.953 1.00 0.00 H new ATOM 804 N SER A 59 -4.650 -10.840 -6.162 1.00 0.00 N ATOM 805 CA SER A 59 -3.989 -11.909 -5.423 1.00 0.00 C ATOM 806 C SER A 59 -4.896 -12.449 -4.322 1.00 0.00 C ATOM 807 O SER A 59 -4.440 -12.757 -3.222 1.00 0.00 O ATOM 808 CB SER A 59 -2.677 -11.405 -4.818 1.00 0.00 C ATOM 809 OG SER A 59 -1.727 -12.452 -4.716 1.00 0.00 O ATOM 0 H SER A 59 -4.953 -10.054 -5.586 1.00 0.00 H new ATOM 0 HA SER A 59 -3.771 -12.718 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.273 -10.602 -5.435 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.866 -10.984 -3.831 1.00 0.00 H new ATOM 0 HG SER A 59 -0.897 -12.104 -4.328 1.00 0.00 H new ATOM 815 N GLY A 60 -6.185 -12.561 -4.627 1.00 0.00 N ATOM 816 CA GLY A 60 -7.137 -13.063 -3.654 1.00 0.00 C ATOM 817 C GLY A 60 -7.029 -14.563 -3.458 1.00 0.00 C ATOM 818 O GLY A 60 -6.549 -15.251 -4.357 1.00 0.00 O ATOM 0 H GLY A 60 -6.587 -12.313 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.975 -12.562 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.148 -12.814 -3.977 1.00 0.00 H new TER 822 GLY A 60 HETATM 823 ZN ZN A 201 8.326 0.055 7.667 1.00 0.00 ZN HETATM 824 ZN ZN A 401 -3.490 -2.694 0.629 1.00 0.00 ZN