USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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 Set 1.1: A 48 MET CE :methyl 175:sc= -0.0406 (180deg=-0.0964) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc=-0.00445 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 169:sc= 1.29 USER MOD Single : A 50 ASN : amide:sc=-0.00387 K(o=-0.0039,f=-2.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 2:sc= 0.423 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -142:sc= 0 (180deg=-0.0363) USER MOD Single : A 72 ASN : amide:sc= 1.73 K(o=1.7,f=-0.00016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 15.256 2.336 11.225 1.00 0.00 N ATOM 2 CA GLY A 19 15.129 0.864 11.297 1.00 0.00 C ATOM 3 C GLY A 19 13.671 0.440 11.347 1.00 0.00 C ATOM 4 O GLY A 19 13.093 0.339 12.430 1.00 0.00 O ATOM 0 HA2 GLY A 19 15.612 0.412 10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.648 0.494 12.181 1.00 0.00 H new ATOM 10 N ASP A 20 13.053 0.206 10.187 1.00 0.00 N ATOM 11 CA ASP A 20 11.662 -0.269 10.067 1.00 0.00 C ATOM 12 C ASP A 20 11.510 -1.758 10.450 1.00 0.00 C ATOM 13 O ASP A 20 12.470 -2.534 10.381 1.00 0.00 O ATOM 14 CB ASP A 20 11.177 -0.052 8.625 1.00 0.00 C ATOM 15 CG ASP A 20 11.137 1.439 8.247 1.00 0.00 C ATOM 16 OD1 ASP A 20 10.168 2.134 8.632 1.00 0.00 O ATOM 17 OD2 ASP A 20 12.075 1.918 7.566 1.00 0.00 O ATOM 0 H ASP A 20 13.509 0.342 9.285 1.00 0.00 H new ATOM 0 HA ASP A 20 11.054 0.306 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.836 -0.582 7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.182 -0.482 8.509 1.00 0.00 H new ATOM 22 N LYS A 21 10.286 -2.165 10.821 1.00 0.00 N ATOM 23 CA LYS A 21 9.903 -3.539 11.202 1.00 0.00 C ATOM 24 C LYS A 21 8.690 -4.032 10.401 1.00 0.00 C ATOM 25 O LYS A 21 7.771 -3.266 10.107 1.00 0.00 O ATOM 26 CB LYS A 21 9.591 -3.566 12.709 1.00 0.00 C ATOM 27 CG LYS A 21 10.830 -3.312 13.590 1.00 0.00 C ATOM 28 CD LYS A 21 10.445 -2.738 14.960 1.00 0.00 C ATOM 29 CE LYS A 21 9.562 -3.661 15.816 1.00 0.00 C ATOM 30 NZ LYS A 21 10.276 -4.892 16.250 1.00 0.00 N ATOM 0 H LYS A 21 9.499 -1.518 10.867 1.00 0.00 H new ATOM 0 HA LYS A 21 10.733 -4.209 10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.835 -2.813 12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.162 -4.534 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.376 -4.245 13.727 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.502 -2.621 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.356 -2.513 15.514 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.922 -1.794 14.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.217 -3.116 16.695 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.676 -3.941 15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.638 -5.480 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.583 -5.429 15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.108 -4.629 16.817 1.00 0.00 H new ATOM 44 N GLU A 22 8.662 -5.327 10.089 1.00 0.00 N ATOM 45 CA GLU A 22 7.582 -5.994 9.348 1.00 0.00 C ATOM 46 C GLU A 22 6.521 -6.564 10.312 1.00 0.00 C ATOM 47 O GLU A 22 6.596 -7.719 10.735 1.00 0.00 O ATOM 48 CB GLU A 22 8.153 -7.088 8.423 1.00 0.00 C ATOM 49 CG GLU A 22 8.826 -6.544 7.151 1.00 0.00 C ATOM 50 CD GLU A 22 10.111 -5.737 7.426 1.00 0.00 C ATOM 51 OE1 GLU A 22 11.114 -6.325 7.899 1.00 0.00 O ATOM 52 OE2 GLU A 22 10.130 -4.513 7.150 1.00 0.00 O ATOM 0 H GLU A 22 9.413 -5.965 10.352 1.00 0.00 H new ATOM 0 HA GLU A 22 7.087 -5.253 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.879 -7.679 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.347 -7.763 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.066 -7.379 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.117 -5.911 6.618 1.00 0.00 H new ATOM 59 N GLU A 23 5.528 -5.742 10.674 1.00 0.00 N ATOM 60 CA GLU A 23 4.429 -6.114 11.587 1.00 0.00 C ATOM 61 C GLU A 23 3.086 -6.313 10.859 1.00 0.00 C ATOM 62 O GLU A 23 2.394 -7.305 11.096 1.00 0.00 O ATOM 63 CB GLU A 23 4.305 -5.074 12.713 1.00 0.00 C ATOM 64 CG GLU A 23 5.526 -5.093 13.645 1.00 0.00 C ATOM 65 CD GLU A 23 5.356 -4.105 14.816 1.00 0.00 C ATOM 66 OE1 GLU A 23 4.593 -4.409 15.766 1.00 0.00 O ATOM 67 OE2 GLU A 23 5.999 -3.028 14.806 1.00 0.00 O ATOM 0 H GLU A 23 5.461 -4.782 10.337 1.00 0.00 H new ATOM 0 HA GLU A 23 4.681 -7.081 12.021 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.194 -4.080 12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.403 -5.271 13.292 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.672 -6.100 14.035 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.422 -4.838 13.079 1.00 0.00 H new ATOM 74 N CYS A 24 2.726 -5.409 9.940 1.00 0.00 N ATOM 75 CA CYS A 24 1.617 -5.592 8.995 1.00 0.00 C ATOM 76 C CYS A 24 2.007 -6.601 7.895 1.00 0.00 C ATOM 77 O CYS A 24 2.654 -6.252 6.904 1.00 0.00 O ATOM 78 CB CYS A 24 1.182 -4.228 8.438 1.00 0.00 C ATOM 79 SG CYS A 24 -0.003 -4.289 7.062 1.00 0.00 S ATOM 0 H CYS A 24 3.205 -4.515 9.830 1.00 0.00 H new ATOM 0 HA CYS A 24 0.755 -6.018 9.509 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.742 -3.647 9.249 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.070 -3.690 8.107 1.00 0.00 H new ATOM 84 N THR A 25 1.646 -7.871 8.092 1.00 0.00 N ATOM 85 CA THR A 25 1.736 -8.949 7.086 1.00 0.00 C ATOM 86 C THR A 25 0.548 -8.919 6.106 1.00 0.00 C ATOM 87 O THR A 25 -0.381 -8.120 6.261 1.00 0.00 O ATOM 88 CB THR A 25 1.838 -10.329 7.764 1.00 0.00 C ATOM 89 OG1 THR A 25 0.746 -10.565 8.630 1.00 0.00 O ATOM 90 CG2 THR A 25 3.130 -10.478 8.571 1.00 0.00 C ATOM 0 H THR A 25 1.270 -8.195 8.983 1.00 0.00 H new ATOM 0 HA THR A 25 2.645 -8.775 6.511 1.00 0.00 H new ATOM 0 HB THR A 25 1.832 -11.059 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.841 -11.449 9.042 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.160 -11.466 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.988 -10.360 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.164 -9.714 9.348 1.00 0.00 H new ATOM 98 N VAL A 26 0.565 -9.786 5.085 1.00 0.00 N ATOM 99 CA VAL A 26 -0.474 -9.897 4.040 1.00 0.00 C ATOM 100 C VAL A 26 -1.111 -11.305 4.080 1.00 0.00 C ATOM 101 O VAL A 26 -0.373 -12.291 4.186 1.00 0.00 O ATOM 102 CB VAL A 26 0.108 -9.614 2.638 1.00 0.00 C ATOM 103 CG1 VAL A 26 -0.980 -9.439 1.575 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.985 -8.352 2.588 1.00 0.00 C ATOM 0 H VAL A 26 1.325 -10.454 4.955 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.240 -9.148 4.241 1.00 0.00 H new ATOM 0 HB VAL A 26 0.714 -10.495 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.516 -9.242 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.577 -10.349 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.622 -8.601 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.362 -8.211 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.392 -7.485 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.824 -8.464 3.275 1.00 0.00 H new ATOM 114 N PRO A 27 -2.452 -11.431 4.011 1.00 0.00 N ATOM 115 CA PRO A 27 -3.171 -12.709 4.008 1.00 0.00 C ATOM 116 C PRO A 27 -3.130 -13.411 2.631 1.00 0.00 C ATOM 117 O PRO A 27 -2.396 -13.010 1.723 1.00 0.00 O ATOM 118 CB PRO A 27 -4.598 -12.330 4.433 1.00 0.00 C ATOM 119 CG PRO A 27 -4.782 -10.975 3.761 1.00 0.00 C ATOM 120 CD PRO A 27 -3.404 -10.333 3.934 1.00 0.00 C ATOM 0 HA PRO A 27 -2.719 -13.438 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.333 -13.058 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.697 -12.264 5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.054 -11.076 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.567 -10.388 4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.173 -9.675 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.369 -9.723 4.837 1.00 0.00 H new ATOM 128 N ILE A 28 -3.923 -14.479 2.482 1.00 0.00 N ATOM 129 CA ILE A 28 -4.127 -15.250 1.241 1.00 0.00 C ATOM 130 C ILE A 28 -4.587 -14.395 0.037 1.00 0.00 C ATOM 131 O ILE A 28 -5.039 -13.255 0.179 1.00 0.00 O ATOM 132 CB ILE A 28 -5.114 -16.420 1.490 1.00 0.00 C ATOM 133 CG1 ILE A 28 -6.508 -15.930 1.951 1.00 0.00 C ATOM 134 CG2 ILE A 28 -4.507 -17.419 2.493 1.00 0.00 C ATOM 135 CD1 ILE A 28 -7.585 -17.023 1.928 1.00 0.00 C ATOM 0 H ILE A 28 -4.469 -14.850 3.260 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.149 -15.645 0.966 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.271 -16.929 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.427 -15.533 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.824 -15.107 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.208 -18.237 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.575 -17.817 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.308 -16.912 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.534 -16.606 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.695 -17.404 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.292 -17.837 2.591 1.00 0.00 H new ATOM 147 N GLY A 29 -4.498 -14.966 -1.167 1.00 0.00 N ATOM 148 CA GLY A 29 -4.855 -14.337 -2.444 1.00 0.00 C ATOM 149 C GLY A 29 -3.711 -13.486 -3.002 1.00 0.00 C ATOM 150 O GLY A 29 -3.182 -13.771 -4.080 1.00 0.00 O ATOM 0 H GLY A 29 -4.160 -15.921 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.119 -15.109 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.738 -13.713 -2.307 1.00 0.00 H new ATOM 154 N TRP A 30 -3.312 -12.459 -2.251 1.00 0.00 N ATOM 155 CA TRP A 30 -2.118 -11.643 -2.504 1.00 0.00 C ATOM 156 C TRP A 30 -0.812 -12.335 -2.054 1.00 0.00 C ATOM 157 O TRP A 30 -0.816 -13.448 -1.521 1.00 0.00 O ATOM 158 CB TRP A 30 -2.273 -10.285 -1.811 1.00 0.00 C ATOM 159 CG TRP A 30 -3.519 -9.517 -2.122 1.00 0.00 C ATOM 160 CD1 TRP A 30 -3.870 -9.008 -3.325 1.00 0.00 C ATOM 161 CD2 TRP A 30 -4.586 -9.150 -1.206 1.00 0.00 C ATOM 162 NE1 TRP A 30 -5.074 -8.335 -3.206 1.00 0.00 N ATOM 163 CE2 TRP A 30 -5.555 -8.381 -1.913 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.823 -9.406 0.157 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -6.700 -7.867 -1.285 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -5.968 -8.896 0.801 1.00 0.00 C ATOM 167 CH2 TRP A 30 -6.903 -8.125 0.084 1.00 0.00 C ATOM 0 H TRP A 30 -3.826 -12.160 -1.422 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.037 -11.505 -3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.230 -10.445 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.415 -9.666 -2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.300 -9.111 -4.236 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.547 -7.864 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.118 -10.002 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -7.415 -7.282 -1.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -6.129 -9.097 1.850 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.776 -7.732 0.584 1.00 0.00 H new ATOM 178 N SER A 31 0.318 -11.647 -2.242 1.00 0.00 N ATOM 179 CA SER A 31 1.620 -11.928 -1.619 1.00 0.00 C ATOM 180 C SER A 31 2.373 -10.612 -1.343 1.00 0.00 C ATOM 181 O SER A 31 1.883 -9.531 -1.677 1.00 0.00 O ATOM 182 CB SER A 31 2.439 -12.866 -2.518 1.00 0.00 C ATOM 183 OG SER A 31 3.522 -13.438 -1.798 1.00 0.00 O ATOM 0 H SER A 31 0.354 -10.839 -2.863 1.00 0.00 H new ATOM 0 HA SER A 31 1.463 -12.428 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.797 -13.657 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.819 -12.313 -3.377 1.00 0.00 H new ATOM 0 HG SER A 31 4.029 -14.033 -2.389 1.00 0.00 H new ATOM 189 N GLU A 32 3.552 -10.677 -0.723 1.00 0.00 N ATOM 190 CA GLU A 32 4.422 -9.524 -0.437 1.00 0.00 C ATOM 191 C GLU A 32 5.337 -9.167 -1.642 1.00 0.00 C ATOM 192 O GLU A 32 6.214 -9.960 -2.001 1.00 0.00 O ATOM 193 CB GLU A 32 5.204 -9.745 0.874 1.00 0.00 C ATOM 194 CG GLU A 32 6.008 -11.050 0.990 1.00 0.00 C ATOM 195 CD GLU A 32 6.656 -11.168 2.383 1.00 0.00 C ATOM 196 OE1 GLU A 32 7.803 -10.692 2.569 1.00 0.00 O ATOM 197 OE2 GLU A 32 6.027 -11.746 3.304 1.00 0.00 O ATOM 0 H GLU A 32 3.945 -11.559 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 32 3.789 -8.650 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.892 -8.910 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.496 -9.707 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.353 -11.903 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.780 -11.077 0.221 1.00 0.00 H new ATOM 204 N PRO A 33 5.149 -8.008 -2.312 1.00 0.00 N ATOM 205 CA PRO A 33 5.945 -7.605 -3.478 1.00 0.00 C ATOM 206 C PRO A 33 7.382 -7.198 -3.100 1.00 0.00 C ATOM 207 O PRO A 33 7.597 -6.279 -2.306 1.00 0.00 O ATOM 208 CB PRO A 33 5.175 -6.442 -4.114 1.00 0.00 C ATOM 209 CG PRO A 33 4.445 -5.810 -2.935 1.00 0.00 C ATOM 210 CD PRO A 33 4.124 -7.007 -2.044 1.00 0.00 C ATOM 0 HA PRO A 33 6.069 -8.436 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.847 -5.732 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.479 -6.791 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.069 -5.080 -2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.541 -5.290 -3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.127 -6.720 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.131 -7.400 -2.264 1.00 0.00 H new ATOM 218 N VAL A 34 8.380 -7.867 -3.691 1.00 0.00 N ATOM 219 CA VAL A 34 9.816 -7.534 -3.540 1.00 0.00 C ATOM 220 C VAL A 34 10.263 -6.342 -4.409 1.00 0.00 C ATOM 221 O VAL A 34 11.228 -5.652 -4.071 1.00 0.00 O ATOM 222 CB VAL A 34 10.676 -8.791 -3.802 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.666 -9.247 -5.269 1.00 0.00 C ATOM 224 CG2 VAL A 34 12.129 -8.617 -3.349 1.00 0.00 C ATOM 0 H VAL A 34 8.217 -8.670 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 34 9.967 -7.208 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 34 10.202 -9.566 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.290 -10.134 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.645 -9.483 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.055 -8.449 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.687 -9.530 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.581 -7.785 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.154 -8.412 -2.279 1.00 0.00 H new ATOM 234 N LYS A 35 9.563 -6.076 -5.523 1.00 0.00 N ATOM 235 CA LYS A 35 9.858 -4.992 -6.482 1.00 0.00 C ATOM 236 C LYS A 35 9.642 -3.593 -5.880 1.00 0.00 C ATOM 237 O LYS A 35 8.828 -3.413 -4.970 1.00 0.00 O ATOM 238 CB LYS A 35 8.985 -5.174 -7.743 1.00 0.00 C ATOM 239 CG LYS A 35 9.341 -6.412 -8.587 1.00 0.00 C ATOM 240 CD LYS A 35 10.660 -6.242 -9.362 1.00 0.00 C ATOM 241 CE LYS A 35 10.942 -7.417 -10.310 1.00 0.00 C ATOM 242 NZ LYS A 35 11.336 -8.655 -9.584 1.00 0.00 N ATOM 0 H LYS A 35 8.748 -6.627 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 35 10.914 -5.059 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.940 -5.243 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.078 -4.285 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.417 -7.282 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.533 -6.611 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.623 -5.317 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.483 -6.145 -8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.053 -7.618 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.736 -7.138 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.515 -9.417 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.200 -8.475 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.569 -8.940 -8.942 1.00 0.00 H new ATOM 256 N GLY A 36 10.339 -2.596 -6.433 1.00 0.00 N ATOM 257 CA GLY A 36 10.253 -1.182 -6.030 1.00 0.00 C ATOM 258 C GLY A 36 11.593 -0.436 -6.042 1.00 0.00 C ATOM 259 O GLY A 36 11.952 0.201 -5.051 1.00 0.00 O ATOM 0 H GLY A 36 10.999 -2.751 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.560 -0.669 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.830 -1.128 -5.027 1.00 0.00 H new ATOM 263 N LEU A 37 12.345 -0.509 -7.147 1.00 0.00 N ATOM 264 CA LEU A 37 13.643 0.164 -7.339 1.00 0.00 C ATOM 265 C LEU A 37 13.474 1.667 -7.660 1.00 0.00 C ATOM 266 O LEU A 37 13.890 2.160 -8.714 1.00 0.00 O ATOM 267 CB LEU A 37 14.457 -0.594 -8.413 1.00 0.00 C ATOM 268 CG LEU A 37 14.895 -2.014 -8.001 1.00 0.00 C ATOM 269 CD1 LEU A 37 15.506 -2.735 -9.202 1.00 0.00 C ATOM 270 CD2 LEU A 37 15.943 -1.994 -6.883 1.00 0.00 C ATOM 0 H LEU A 37 12.061 -1.055 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 37 14.203 0.133 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.860 -0.661 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.345 -0.010 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 37 14.004 -2.529 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.814 -3.738 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.767 -2.803 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.374 -2.179 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.221 -3.016 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.826 -1.452 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.529 -1.499 -6.005 1.00 0.00 H new ATOM 282 N CYS A 38 12.863 2.403 -6.728 1.00 0.00 N ATOM 283 CA CYS A 38 12.531 3.828 -6.829 1.00 0.00 C ATOM 284 C CYS A 38 13.267 4.662 -5.758 1.00 0.00 C ATOM 285 O CYS A 38 13.658 4.149 -4.705 1.00 0.00 O ATOM 286 CB CYS A 38 11.003 3.982 -6.725 1.00 0.00 C ATOM 287 SG CYS A 38 10.165 3.073 -8.063 1.00 0.00 S ATOM 0 H CYS A 38 12.571 2.001 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 38 12.867 4.213 -7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.661 3.611 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.736 5.038 -6.774 1.00 0.00 H new ATOM 0 HG CYS A 38 8.878 3.220 -7.948 1.00 0.00 H new ATOM 293 N LYS A 39 13.459 5.960 -6.038 1.00 0.00 N ATOM 294 CA LYS A 39 14.279 6.904 -5.245 1.00 0.00 C ATOM 295 C LYS A 39 13.687 8.327 -5.157 1.00 0.00 C ATOM 296 O LYS A 39 14.415 9.299 -4.943 1.00 0.00 O ATOM 297 CB LYS A 39 15.747 6.870 -5.736 1.00 0.00 C ATOM 298 CG LYS A 39 15.959 7.093 -7.248 1.00 0.00 C ATOM 299 CD LYS A 39 16.147 5.766 -8.004 1.00 0.00 C ATOM 300 CE LYS A 39 16.310 6.006 -9.509 1.00 0.00 C ATOM 301 NZ LYS A 39 16.513 4.727 -10.241 1.00 0.00 N ATOM 0 H LYS A 39 13.034 6.403 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 39 14.265 6.563 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.308 7.631 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.177 5.905 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.102 7.627 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.833 7.726 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.024 5.246 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.288 5.118 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.426 6.513 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.159 6.667 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.620 4.922 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.370 4.256 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.691 4.108 -10.092 1.00 0.00 H new ATOM 315 N ALA A 40 12.367 8.450 -5.313 1.00 0.00 N ATOM 316 CA ALA A 40 11.603 9.702 -5.225 1.00 0.00 C ATOM 317 C ALA A 40 10.447 9.612 -4.205 1.00 0.00 C ATOM 318 O ALA A 40 10.087 8.528 -3.738 1.00 0.00 O ATOM 319 CB ALA A 40 11.106 10.056 -6.634 1.00 0.00 C ATOM 0 H ALA A 40 11.773 7.645 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 40 12.249 10.497 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.535 10.983 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.960 10.183 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.470 9.253 -7.008 1.00 0.00 H new ATOM 325 N ARG A 41 9.838 10.762 -3.878 1.00 0.00 N ATOM 326 CA ARG A 41 8.728 10.928 -2.911 1.00 0.00 C ATOM 327 C ARG A 41 7.350 10.425 -3.380 1.00 0.00 C ATOM 328 O ARG A 41 6.361 10.564 -2.658 1.00 0.00 O ATOM 329 CB ARG A 41 8.683 12.396 -2.437 1.00 0.00 C ATOM 330 CG ARG A 41 8.358 13.419 -3.541 1.00 0.00 C ATOM 331 CD ARG A 41 8.453 14.846 -2.982 1.00 0.00 C ATOM 332 NE ARG A 41 8.272 15.861 -4.040 1.00 0.00 N ATOM 333 CZ ARG A 41 8.404 17.171 -3.914 1.00 0.00 C ATOM 334 NH1 ARG A 41 8.704 17.730 -2.775 1.00 0.00 N ATOM 335 NH2 ARG A 41 8.237 17.954 -4.940 1.00 0.00 N ATOM 0 H ARG A 41 10.116 11.649 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 41 8.953 10.268 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.938 12.486 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.647 12.651 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.051 13.299 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.356 13.239 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.696 14.986 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.423 14.986 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 41 8.018 15.515 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.845 17.154 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.798 18.744 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.002 17.559 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.341 18.963 -4.834 1.00 0.00 H new ATOM 349 N PHE A 42 7.269 9.872 -4.587 1.00 0.00 N ATOM 350 CA PHE A 42 6.033 9.454 -5.252 1.00 0.00 C ATOM 351 C PHE A 42 5.599 8.037 -4.826 1.00 0.00 C ATOM 352 O PHE A 42 5.871 7.044 -5.507 1.00 0.00 O ATOM 353 CB PHE A 42 6.215 9.595 -6.771 1.00 0.00 C ATOM 354 CG PHE A 42 6.844 10.905 -7.231 1.00 0.00 C ATOM 355 CD1 PHE A 42 6.434 12.138 -6.683 1.00 0.00 C ATOM 356 CD2 PHE A 42 7.873 10.885 -8.194 1.00 0.00 C ATOM 357 CE1 PHE A 42 7.036 13.337 -7.104 1.00 0.00 C ATOM 358 CE2 PHE A 42 8.480 12.084 -8.609 1.00 0.00 C ATOM 359 CZ PHE A 42 8.060 13.310 -8.066 1.00 0.00 C ATOM 0 H PHE A 42 8.097 9.694 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 42 5.215 10.105 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.833 8.770 -7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.241 9.491 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.654 12.161 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.197 9.945 -8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.711 14.279 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.270 12.062 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.524 14.231 -8.388 1.00 0.00 H new ATOM 369 N THR A 43 4.910 7.953 -3.687 1.00 0.00 N ATOM 370 CA THR A 43 4.504 6.698 -3.017 1.00 0.00 C ATOM 371 C THR A 43 3.021 6.727 -2.631 1.00 0.00 C ATOM 372 O THR A 43 2.435 7.805 -2.481 1.00 0.00 O ATOM 373 CB THR A 43 5.354 6.420 -1.755 1.00 0.00 C ATOM 374 OG1 THR A 43 6.641 7.011 -1.822 1.00 0.00 O ATOM 375 CG2 THR A 43 5.579 4.923 -1.557 1.00 0.00 C ATOM 0 H THR A 43 4.604 8.783 -3.180 1.00 0.00 H new ATOM 0 HA THR A 43 4.672 5.895 -3.735 1.00 0.00 H new ATOM 0 HB THR A 43 4.786 6.851 -0.931 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.137 6.808 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.180 4.761 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.617 4.422 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.101 4.516 -2.423 1.00 0.00 H new ATOM 383 N ARG A 44 2.398 5.552 -2.462 1.00 0.00 N ATOM 384 CA ARG A 44 0.960 5.397 -2.173 1.00 0.00 C ATOM 385 C ARG A 44 0.690 4.198 -1.248 1.00 0.00 C ATOM 386 O ARG A 44 1.560 3.340 -1.072 1.00 0.00 O ATOM 387 CB ARG A 44 0.241 5.315 -3.533 1.00 0.00 C ATOM 388 CG ARG A 44 -1.272 5.573 -3.468 1.00 0.00 C ATOM 389 CD ARG A 44 -1.850 6.084 -4.795 1.00 0.00 C ATOM 390 NE ARG A 44 -1.473 5.235 -5.941 1.00 0.00 N ATOM 391 CZ ARG A 44 -1.618 5.505 -7.223 1.00 0.00 C ATOM 392 NH1 ARG A 44 -2.198 6.589 -7.651 1.00 0.00 N ATOM 393 NH2 ARG A 44 -1.177 4.655 -8.100 1.00 0.00 N ATOM 0 H ARG A 44 2.889 4.660 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 44 0.571 6.248 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.692 6.038 -4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.411 4.327 -3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.781 4.651 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.478 6.302 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.937 6.127 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.502 7.102 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.051 4.334 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.562 7.270 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.289 6.757 -8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.726 3.793 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.282 4.849 -9.096 1.00 0.00 H new ATOM 407 N TYR A 45 -0.493 4.154 -0.629 1.00 0.00 N ATOM 408 CA TYR A 45 -0.814 3.244 0.479 1.00 0.00 C ATOM 409 C TYR A 45 -2.042 2.376 0.154 1.00 0.00 C ATOM 410 O TYR A 45 -3.161 2.882 0.044 1.00 0.00 O ATOM 411 CB TYR A 45 -1.000 4.044 1.781 1.00 0.00 C ATOM 412 CG TYR A 45 0.073 5.074 2.126 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.445 4.799 1.958 1.00 0.00 C ATOM 414 CD2 TYR A 45 -0.314 6.328 2.638 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.416 5.763 2.294 1.00 0.00 C ATOM 416 CE2 TYR A 45 0.650 7.301 2.968 1.00 0.00 C ATOM 417 CZ TYR A 45 2.022 7.019 2.799 1.00 0.00 C ATOM 418 OH TYR A 45 2.968 7.943 3.123 1.00 0.00 O ATOM 0 H TYR A 45 -1.271 4.761 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 45 0.021 2.558 0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.959 4.560 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.066 3.335 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.755 3.841 1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.362 6.546 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.465 5.539 2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.339 8.262 3.350 1.00 0.00 H new ATOM 0 HH TYR A 45 2.532 8.755 3.455 1.00 0.00 H new ATOM 428 N TYR A 46 -1.846 1.067 -0.027 1.00 0.00 N ATOM 429 CA TYR A 46 -2.882 0.145 -0.524 1.00 0.00 C ATOM 430 C TYR A 46 -3.384 -0.796 0.582 1.00 0.00 C ATOM 431 O TYR A 46 -2.600 -1.504 1.219 1.00 0.00 O ATOM 432 CB TYR A 46 -2.375 -0.618 -1.762 1.00 0.00 C ATOM 433 CG TYR A 46 -1.774 0.235 -2.878 1.00 0.00 C ATOM 434 CD1 TYR A 46 -2.391 1.443 -3.259 1.00 0.00 C ATOM 435 CD2 TYR A 46 -0.614 -0.187 -3.563 1.00 0.00 C ATOM 436 CE1 TYR A 46 -1.863 2.210 -4.314 1.00 0.00 C ATOM 437 CE2 TYR A 46 -0.077 0.585 -4.615 1.00 0.00 C ATOM 438 CZ TYR A 46 -0.709 1.785 -5.000 1.00 0.00 C ATOM 439 OH TYR A 46 -0.223 2.536 -6.028 1.00 0.00 O ATOM 0 H TYR A 46 -0.956 0.609 0.168 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.745 0.734 -0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.623 -1.337 -1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.205 -1.190 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.274 1.782 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.132 -1.111 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.347 3.132 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.817 0.257 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 46 0.662 2.204 -6.286 1.00 0.00 H new ATOM 449 N CYS A 47 -4.698 -0.774 0.839 1.00 0.00 N ATOM 450 CA CYS A 47 -5.378 -1.634 1.814 1.00 0.00 C ATOM 451 C CYS A 47 -5.408 -3.104 1.344 1.00 0.00 C ATOM 452 O CYS A 47 -6.064 -3.436 0.354 1.00 0.00 O ATOM 453 CB CYS A 47 -6.780 -1.088 2.120 1.00 0.00 C ATOM 454 SG CYS A 47 -7.637 -2.001 3.437 1.00 0.00 S ATOM 0 H CYS A 47 -5.336 -0.138 0.360 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.811 -1.621 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.699 -0.040 2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.382 -1.124 1.212 1.00 0.00 H new ATOM 459 N MET A 48 -4.671 -3.975 2.039 1.00 0.00 N ATOM 460 CA MET A 48 -4.462 -5.397 1.733 1.00 0.00 C ATOM 461 C MET A 48 -4.526 -6.238 3.021 1.00 0.00 C ATOM 462 O MET A 48 -3.504 -6.547 3.637 1.00 0.00 O ATOM 463 CB MET A 48 -3.119 -5.587 1.000 1.00 0.00 C ATOM 464 CG MET A 48 -3.155 -5.085 -0.449 1.00 0.00 C ATOM 465 SD MET A 48 -1.567 -5.057 -1.330 1.00 0.00 S ATOM 466 CE MET A 48 -0.899 -6.708 -0.980 1.00 0.00 C ATOM 0 H MET A 48 -4.173 -3.691 2.882 1.00 0.00 H new ATOM 0 HA MET A 48 -5.258 -5.742 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.336 -5.058 1.543 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.853 -6.644 1.007 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.847 -5.712 -1.011 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.565 -4.075 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.028 -6.850 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.701 -6.802 0.088 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.623 -7.465 -1.282 1.00 0.00 H new ATOM 476 N GLY A 49 -5.742 -6.610 3.439 1.00 0.00 N ATOM 477 CA GLY A 49 -5.987 -7.499 4.583 1.00 0.00 C ATOM 478 C GLY A 49 -6.075 -6.776 5.929 1.00 0.00 C ATOM 479 O GLY A 49 -5.255 -7.010 6.817 1.00 0.00 O ATOM 0 H GLY A 49 -6.599 -6.296 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.916 -8.043 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.188 -8.239 4.632 1.00 0.00 H new ATOM 483 N ASN A 50 -7.086 -5.912 6.089 1.00 0.00 N ATOM 484 CA ASN A 50 -7.391 -5.139 7.309 1.00 0.00 C ATOM 485 C ASN A 50 -6.225 -4.245 7.813 1.00 0.00 C ATOM 486 O ASN A 50 -6.148 -3.899 8.993 1.00 0.00 O ATOM 487 CB ASN A 50 -7.966 -6.065 8.402 1.00 0.00 C ATOM 488 CG ASN A 50 -8.928 -7.134 7.899 1.00 0.00 C ATOM 489 OD1 ASN A 50 -9.881 -6.872 7.179 1.00 0.00 O ATOM 490 ND2 ASN A 50 -8.716 -8.380 8.256 1.00 0.00 N ATOM 0 H ASN A 50 -7.748 -5.721 5.337 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.161 -4.417 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.138 -6.555 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.482 -5.453 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.343 -9.117 7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.924 -8.611 8.856 1.00 0.00 H new ATOM 497 N CYS A 51 -5.307 -3.894 6.909 1.00 0.00 N ATOM 498 CA CYS A 51 -4.196 -2.956 7.058 1.00 0.00 C ATOM 499 C CYS A 51 -3.925 -2.314 5.686 1.00 0.00 C ATOM 500 O CYS A 51 -4.148 -2.957 4.656 1.00 0.00 O ATOM 501 CB CYS A 51 -2.956 -3.737 7.537 1.00 0.00 C ATOM 502 SG CYS A 51 -1.377 -2.837 7.456 1.00 0.00 S ATOM 0 H CYS A 51 -5.326 -4.296 5.972 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.430 -2.178 7.785 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.122 -4.050 8.568 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.867 -4.644 6.939 1.00 0.00 H new ATOM 507 N CYS A 52 -3.381 -1.094 5.651 1.00 0.00 N ATOM 508 CA CYS A 52 -2.796 -0.491 4.450 1.00 0.00 C ATOM 509 C CYS A 52 -1.283 -0.278 4.607 1.00 0.00 C ATOM 510 O CYS A 52 -0.823 0.401 5.530 1.00 0.00 O ATOM 511 CB CYS A 52 -3.540 0.788 4.050 1.00 0.00 C ATOM 512 SG CYS A 52 -3.837 2.016 5.348 1.00 0.00 S ATOM 0 H CYS A 52 -3.334 -0.488 6.470 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.922 -1.192 3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.976 1.271 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.504 0.500 3.631 1.00 0.00 H new ATOM 517 N LYS A 53 -0.514 -0.888 3.701 1.00 0.00 N ATOM 518 CA LYS A 53 0.957 -0.847 3.659 1.00 0.00 C ATOM 519 C LYS A 53 1.449 0.160 2.617 1.00 0.00 C ATOM 520 O LYS A 53 0.724 0.507 1.681 1.00 0.00 O ATOM 521 CB LYS A 53 1.481 -2.254 3.315 1.00 0.00 C ATOM 522 CG LYS A 53 2.691 -2.702 4.146 1.00 0.00 C ATOM 523 CD LYS A 53 3.351 -3.908 3.458 1.00 0.00 C ATOM 524 CE LYS A 53 4.224 -4.768 4.373 1.00 0.00 C ATOM 525 NZ LYS A 53 5.338 -4.007 4.999 1.00 0.00 N ATOM 0 H LYS A 53 -0.911 -1.447 2.946 1.00 0.00 H new ATOM 0 HA LYS A 53 1.332 -0.532 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.674 -2.973 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.751 -2.279 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.406 -1.885 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.377 -2.969 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.570 -4.536 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.962 -3.547 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.602 -5.201 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.636 -5.597 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.894 -4.642 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.951 -3.615 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.949 -3.231 5.572 1.00 0.00 H new ATOM 539 N VAL A 54 2.707 0.579 2.745 1.00 0.00 N ATOM 540 CA VAL A 54 3.429 1.317 1.700 1.00 0.00 C ATOM 541 C VAL A 54 3.844 0.382 0.561 1.00 0.00 C ATOM 542 O VAL A 54 4.455 -0.662 0.804 1.00 0.00 O ATOM 543 CB VAL A 54 4.621 2.092 2.300 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.800 1.234 2.780 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.154 3.107 1.293 1.00 0.00 C ATOM 0 H VAL A 54 3.263 0.416 3.585 1.00 0.00 H new ATOM 0 HA VAL A 54 2.758 2.059 1.267 1.00 0.00 H new ATOM 0 HB VAL A 54 4.205 2.569 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.580 1.880 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.459 0.549 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.199 0.662 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.994 3.646 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.484 2.588 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.365 3.813 1.035 1.00 0.00 H new ATOM 555 N TYR A 55 3.528 0.756 -0.681 1.00 0.00 N ATOM 556 CA TYR A 55 4.014 0.075 -1.883 1.00 0.00 C ATOM 557 C TYR A 55 4.496 1.075 -2.943 1.00 0.00 C ATOM 558 O TYR A 55 3.990 2.194 -3.057 1.00 0.00 O ATOM 559 CB TYR A 55 2.912 -0.829 -2.450 1.00 0.00 C ATOM 560 CG TYR A 55 2.428 -1.919 -1.506 1.00 0.00 C ATOM 561 CD1 TYR A 55 3.254 -3.023 -1.217 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.153 -1.828 -0.916 1.00 0.00 C ATOM 563 CE1 TYR A 55 2.800 -4.033 -0.346 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.673 -2.863 -0.092 1.00 0.00 C ATOM 565 CZ TYR A 55 1.498 -3.971 0.194 1.00 0.00 C ATOM 566 OH TYR A 55 1.064 -4.961 1.018 1.00 0.00 O ATOM 0 H TYR A 55 2.920 1.550 -0.883 1.00 0.00 H new ATOM 0 HA TYR A 55 4.871 -0.539 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.061 -0.208 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.280 -1.297 -3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.235 -3.095 -1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.539 -0.958 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.450 -4.857 -0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.324 -2.809 0.320 1.00 0.00 H new ATOM 0 HH TYR A 55 0.147 -4.769 1.305 1.00 0.00 H new ATOM 576 N GLU A 56 5.480 0.655 -3.734 1.00 0.00 N ATOM 577 CA GLU A 56 5.997 1.397 -4.889 1.00 0.00 C ATOM 578 C GLU A 56 5.204 1.051 -6.166 1.00 0.00 C ATOM 579 O GLU A 56 4.644 -0.044 -6.293 1.00 0.00 O ATOM 580 CB GLU A 56 7.487 1.054 -5.076 1.00 0.00 C ATOM 581 CG GLU A 56 8.379 1.422 -3.873 1.00 0.00 C ATOM 582 CD GLU A 56 8.498 2.935 -3.595 1.00 0.00 C ATOM 583 OE1 GLU A 56 8.172 3.764 -4.478 1.00 0.00 O ATOM 584 OE2 GLU A 56 8.954 3.298 -2.484 1.00 0.00 O ATOM 0 H GLU A 56 5.955 -0.236 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 56 5.884 2.466 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.580 -0.015 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.859 1.571 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.984 0.933 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.377 1.018 -4.042 1.00 0.00 H new ATOM 591 N GLY A 57 5.182 1.966 -7.140 1.00 0.00 N ATOM 592 CA GLY A 57 4.456 1.800 -8.407 1.00 0.00 C ATOM 593 C GLY A 57 2.922 1.850 -8.284 1.00 0.00 C ATOM 594 O GLY A 57 2.355 2.092 -7.214 1.00 0.00 O ATOM 0 H GLY A 57 5.675 2.856 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.777 2.580 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.740 0.845 -8.850 1.00 0.00 H new ATOM 598 N CYS A 58 2.232 1.637 -9.408 1.00 0.00 N ATOM 599 CA CYS A 58 0.780 1.820 -9.563 1.00 0.00 C ATOM 600 C CYS A 58 -0.053 0.534 -9.363 1.00 0.00 C ATOM 601 O CYS A 58 -1.166 0.439 -9.885 1.00 0.00 O ATOM 602 CB CYS A 58 0.501 2.437 -10.941 1.00 0.00 C ATOM 603 SG CYS A 58 1.374 4.020 -11.152 1.00 0.00 S ATOM 0 H CYS A 58 2.682 1.321 -10.267 1.00 0.00 H new ATOM 0 HA CYS A 58 0.460 2.489 -8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.811 1.742 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.571 2.593 -11.061 1.00 0.00 H new ATOM 0 HG CYS A 58 1.113 4.506 -12.329 1.00 0.00 H new ATOM 609 N TYR A 59 0.480 -0.458 -8.640 1.00 0.00 N ATOM 610 CA TYR A 59 -0.046 -1.826 -8.487 1.00 0.00 C ATOM 611 C TYR A 59 -1.579 -1.934 -8.341 1.00 0.00 C ATOM 612 O TYR A 59 -2.201 -2.783 -8.982 1.00 0.00 O ATOM 613 CB TYR A 59 0.681 -2.484 -7.301 1.00 0.00 C ATOM 614 CG TYR A 59 0.137 -3.838 -6.875 1.00 0.00 C ATOM 615 CD1 TYR A 59 0.162 -4.929 -7.767 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.404 -4.001 -5.584 1.00 0.00 C ATOM 617 CE1 TYR A 59 -0.363 -6.176 -7.376 1.00 0.00 C ATOM 618 CE2 TYR A 59 -0.921 -5.248 -5.186 1.00 0.00 C ATOM 619 CZ TYR A 59 -0.910 -6.338 -6.083 1.00 0.00 C ATOM 620 OH TYR A 59 -1.421 -7.542 -5.697 1.00 0.00 O ATOM 0 H TYR A 59 1.343 -0.322 -8.113 1.00 0.00 H new ATOM 0 HA TYR A 59 0.154 -2.354 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.733 -2.599 -7.560 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.635 -1.808 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.585 -4.808 -8.753 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.422 -3.167 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.348 -7.008 -8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.327 -5.371 -4.193 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.754 -7.476 -4.778 1.00 0.00 H new ATOM 630 N THR A 60 -2.202 -1.078 -7.522 1.00 0.00 N ATOM 631 CA THR A 60 -3.658 -0.961 -7.343 1.00 0.00 C ATOM 632 C THR A 60 -3.995 0.455 -6.848 1.00 0.00 C ATOM 633 O THR A 60 -4.129 0.687 -5.650 1.00 0.00 O ATOM 634 CB THR A 60 -4.186 -2.036 -6.367 1.00 0.00 C ATOM 635 OG1 THR A 60 -3.936 -3.342 -6.848 1.00 0.00 O ATOM 636 CG2 THR A 60 -5.702 -1.962 -6.205 1.00 0.00 C ATOM 0 H THR A 60 -1.685 -0.419 -6.940 1.00 0.00 H new ATOM 0 HA THR A 60 -4.151 -1.129 -8.301 1.00 0.00 H new ATOM 0 HB THR A 60 -3.670 -1.841 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.449 -3.290 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.032 -2.735 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.979 -0.982 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.179 -2.116 -7.173 1.00 0.00 H new ATOM 644 N GLY A 61 -4.091 1.425 -7.764 1.00 0.00 N ATOM 645 CA GLY A 61 -4.326 2.852 -7.479 1.00 0.00 C ATOM 646 C GLY A 61 -5.534 3.140 -6.568 1.00 0.00 C ATOM 647 O GLY A 61 -6.677 3.110 -7.031 1.00 0.00 O ATOM 0 H GLY A 61 -4.004 1.235 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.432 3.267 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.468 3.378 -8.423 1.00 0.00 H new ATOM 651 N GLY A 62 -5.279 3.424 -5.282 1.00 0.00 N ATOM 652 CA GLY A 62 -6.287 3.626 -4.230 1.00 0.00 C ATOM 653 C GLY A 62 -6.132 4.945 -3.462 1.00 0.00 C ATOM 654 O GLY A 62 -6.716 5.958 -3.852 1.00 0.00 O ATOM 0 H GLY A 62 -4.326 3.523 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.279 3.594 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.231 2.798 -3.524 1.00 0.00 H new ATOM 658 N TYR A 63 -5.365 4.936 -2.365 1.00 0.00 N ATOM 659 CA TYR A 63 -5.355 5.996 -1.341 1.00 0.00 C ATOM 660 C TYR A 63 -3.966 6.631 -1.137 1.00 0.00 C ATOM 661 O TYR A 63 -3.016 5.977 -0.704 1.00 0.00 O ATOM 662 CB TYR A 63 -5.885 5.429 -0.015 1.00 0.00 C ATOM 663 CG TYR A 63 -7.271 4.811 -0.071 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.403 5.631 -0.242 1.00 0.00 C ATOM 665 CD2 TYR A 63 -7.427 3.416 0.057 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.690 5.059 -0.297 1.00 0.00 C ATOM 667 CE2 TYR A 63 -8.712 2.842 0.009 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.847 3.660 -0.178 1.00 0.00 C ATOM 669 OH TYR A 63 -11.083 3.095 -0.252 1.00 0.00 O ATOM 0 H TYR A 63 -4.718 4.175 -2.157 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.005 6.795 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.185 4.674 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.894 6.230 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.285 6.701 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.560 2.787 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.556 5.690 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.829 1.774 0.115 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.005 2.123 -0.151 1.00 0.00 H new ATOM 679 N SER A 64 -3.851 7.929 -1.432 1.00 0.00 N ATOM 680 CA SER A 64 -2.615 8.728 -1.302 1.00 0.00 C ATOM 681 C SER A 64 -2.357 9.304 0.105 1.00 0.00 C ATOM 682 O SER A 64 -1.317 9.928 0.324 1.00 0.00 O ATOM 683 CB SER A 64 -2.620 9.859 -2.338 1.00 0.00 C ATOM 684 OG SER A 64 -2.754 9.320 -3.646 1.00 0.00 O ATOM 0 H SER A 64 -4.638 8.477 -1.780 1.00 0.00 H new ATOM 0 HA SER A 64 -1.795 8.033 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.440 10.547 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.697 10.434 -2.265 1.00 0.00 H new ATOM 0 HG SER A 64 -2.758 10.049 -4.301 1.00 0.00 H new ATOM 690 N ARG A 65 -3.266 9.089 1.070 1.00 0.00 N ATOM 691 CA ARG A 65 -3.123 9.479 2.489 1.00 0.00 C ATOM 692 C ARG A 65 -3.384 8.300 3.418 1.00 0.00 C ATOM 693 O ARG A 65 -4.326 7.532 3.217 1.00 0.00 O ATOM 694 CB ARG A 65 -4.075 10.644 2.833 1.00 0.00 C ATOM 695 CG ARG A 65 -3.635 12.001 2.259 1.00 0.00 C ATOM 696 CD ARG A 65 -2.428 12.563 3.025 1.00 0.00 C ATOM 697 NE ARG A 65 -1.998 13.871 2.499 1.00 0.00 N ATOM 698 CZ ARG A 65 -1.005 14.616 2.957 1.00 0.00 C ATOM 699 NH1 ARG A 65 -0.293 14.262 3.992 1.00 0.00 N ATOM 700 NH2 ARG A 65 -0.703 15.743 2.381 1.00 0.00 N ATOM 0 H ARG A 65 -4.153 8.623 0.881 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.094 9.808 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.071 10.408 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.153 10.728 3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.380 11.888 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.464 12.707 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.683 12.663 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.599 11.858 2.963 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.518 14.239 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.495 13.386 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.466 14.861 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.233 16.059 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.064 16.310 2.741 1.00 0.00 H new ATOM 714 N MET A 66 -2.574 8.183 4.469 1.00 0.00 N ATOM 715 CA MET A 66 -2.673 7.086 5.440 1.00 0.00 C ATOM 716 C MET A 66 -3.941 7.177 6.307 1.00 0.00 C ATOM 717 O MET A 66 -4.484 6.155 6.721 1.00 0.00 O ATOM 718 CB MET A 66 -1.382 7.019 6.264 1.00 0.00 C ATOM 719 CG MET A 66 -1.311 5.759 7.138 1.00 0.00 C ATOM 720 SD MET A 66 0.348 5.355 7.753 1.00 0.00 S ATOM 721 CE MET A 66 1.098 4.686 6.238 1.00 0.00 C ATOM 0 H MET A 66 -1.827 8.847 4.675 1.00 0.00 H new ATOM 0 HA MET A 66 -2.778 6.146 4.898 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.524 7.041 5.592 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.313 7.903 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.978 5.886 7.990 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.686 4.913 6.563 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.741 3.843 6.492 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.313 4.352 5.560 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.691 5.461 5.753 1.00 0.00 H new ATOM 731 N GLY A 67 -4.478 8.390 6.500 1.00 0.00 N ATOM 732 CA GLY A 67 -5.766 8.605 7.168 1.00 0.00 C ATOM 733 C GLY A 67 -6.958 8.119 6.338 1.00 0.00 C ATOM 734 O GLY A 67 -7.937 7.627 6.898 1.00 0.00 O ATOM 0 H GLY A 67 -4.027 9.253 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.763 8.087 8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.887 9.667 7.380 1.00 0.00 H new ATOM 738 N GLU A 68 -6.877 8.223 5.009 1.00 0.00 N ATOM 739 CA GLU A 68 -7.876 7.681 4.079 1.00 0.00 C ATOM 740 C GLU A 68 -7.782 6.155 3.967 1.00 0.00 C ATOM 741 O GLU A 68 -8.804 5.474 4.079 1.00 0.00 O ATOM 742 CB GLU A 68 -7.744 8.314 2.683 1.00 0.00 C ATOM 743 CG GLU A 68 -8.135 9.799 2.642 1.00 0.00 C ATOM 744 CD GLU A 68 -9.594 10.071 3.072 1.00 0.00 C ATOM 745 OE1 GLU A 68 -10.503 9.272 2.737 1.00 0.00 O ATOM 746 OE2 GLU A 68 -9.840 11.100 3.748 1.00 0.00 O ATOM 0 H GLU A 68 -6.103 8.694 4.539 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.853 7.935 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.714 8.208 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.371 7.762 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.464 10.360 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.988 10.176 1.630 1.00 0.00 H new ATOM 753 N CYS A 69 -6.579 5.597 3.775 1.00 0.00 N ATOM 754 CA CYS A 69 -6.416 4.149 3.600 1.00 0.00 C ATOM 755 C CYS A 69 -6.831 3.347 4.845 1.00 0.00 C ATOM 756 O CYS A 69 -7.233 2.191 4.726 1.00 0.00 O ATOM 757 CB CYS A 69 -4.991 3.820 3.131 1.00 0.00 C ATOM 758 SG CYS A 69 -3.645 3.774 4.347 1.00 0.00 S ATOM 0 H CYS A 69 -5.707 6.125 3.737 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.104 3.833 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.024 2.847 2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.720 4.551 2.369 1.00 0.00 H new ATOM 763 N ALA A 70 -6.794 3.981 6.021 1.00 0.00 N ATOM 764 CA ALA A 70 -7.362 3.490 7.268 1.00 0.00 C ATOM 765 C ALA A 70 -8.896 3.642 7.310 1.00 0.00 C ATOM 766 O ALA A 70 -9.599 2.633 7.348 1.00 0.00 O ATOM 767 CB ALA A 70 -6.671 4.235 8.416 1.00 0.00 C ATOM 0 H ALA A 70 -6.346 4.891 6.128 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.183 2.419 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.074 3.890 9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.599 4.040 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.848 5.306 8.313 1.00 0.00 H new ATOM 773 N ARG A 71 -9.438 4.876 7.312 1.00 0.00 N ATOM 774 CA ARG A 71 -10.871 5.137 7.591 1.00 0.00 C ATOM 775 C ARG A 71 -11.851 4.490 6.602 1.00 0.00 C ATOM 776 O ARG A 71 -12.977 4.170 6.983 1.00 0.00 O ATOM 777 CB ARG A 71 -11.139 6.650 7.740 1.00 0.00 C ATOM 778 CG ARG A 71 -11.227 7.407 6.401 1.00 0.00 C ATOM 779 CD ARG A 71 -11.346 8.926 6.572 1.00 0.00 C ATOM 780 NE ARG A 71 -10.135 9.511 7.177 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.929 10.782 7.475 1.00 0.00 C ATOM 782 NH1 ARG A 71 -10.799 11.710 7.193 1.00 0.00 N ATOM 783 NH2 ARG A 71 -8.836 11.149 8.082 1.00 0.00 N ATOM 0 H ARG A 71 -8.899 5.721 7.121 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.070 4.643 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.071 6.791 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.346 7.091 8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.342 7.183 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.088 7.042 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.525 9.387 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.210 9.154 7.197 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.374 8.865 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.673 11.465 6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.606 12.681 7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.132 10.454 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.684 12.132 8.309 1.00 0.00 H new ATOM 797 N ASN A 72 -11.433 4.287 5.350 1.00 0.00 N ATOM 798 CA ASN A 72 -12.234 3.627 4.310 1.00 0.00 C ATOM 799 C ASN A 72 -12.144 2.081 4.350 1.00 0.00 C ATOM 800 O ASN A 72 -12.877 1.409 3.620 1.00 0.00 O ATOM 801 CB ASN A 72 -11.821 4.177 2.933 1.00 0.00 C ATOM 802 CG ASN A 72 -12.118 5.662 2.768 1.00 0.00 C ATOM 803 OD1 ASN A 72 -13.249 6.080 2.560 1.00 0.00 O ATOM 804 ND2 ASN A 72 -11.106 6.491 2.853 1.00 0.00 N ATOM 0 H ASN A 72 -10.513 4.581 5.023 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.282 3.857 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.754 4.008 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.342 3.620 2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.258 7.494 2.746 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.167 6.133 3.027 1.00 0.00 H new ATOM 811 N CYS A 73 -11.287 1.513 5.205 1.00 0.00 N ATOM 812 CA CYS A 73 -11.095 0.072 5.418 1.00 0.00 C ATOM 813 C CYS A 73 -11.497 -0.369 6.850 1.00 0.00 C ATOM 814 O CYS A 73 -11.762 0.480 7.709 1.00 0.00 O ATOM 815 CB CYS A 73 -9.639 -0.280 5.049 1.00 0.00 C ATOM 816 SG CYS A 73 -9.517 -1.212 3.491 1.00 0.00 S ATOM 0 H CYS A 73 -10.676 2.074 5.799 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.763 -0.493 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.057 0.638 4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.196 -0.866 5.854 1.00 0.00 H new ATOM 821 N PRO A 74 -11.577 -1.686 7.143 1.00 0.00 N ATOM 822 CA PRO A 74 -11.988 -2.191 8.462 1.00 0.00 C ATOM 823 C PRO A 74 -10.880 -2.107 9.533 1.00 0.00 C ATOM 824 O PRO A 74 -11.146 -2.333 10.718 1.00 0.00 O ATOM 825 CB PRO A 74 -12.417 -3.639 8.207 1.00 0.00 C ATOM 826 CG PRO A 74 -11.502 -4.069 7.067 1.00 0.00 C ATOM 827 CD PRO A 74 -11.361 -2.802 6.228 1.00 0.00 C ATOM 0 HA PRO A 74 -12.790 -1.579 8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.281 -4.262 9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.469 -3.706 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.537 -4.416 7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.935 -4.886 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.373 -2.745 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.089 -2.788 5.417 1.00 0.00 H new ATOM 835 N GLY A 75 -9.646 -1.772 9.134 1.00 0.00 N ATOM 836 CA GLY A 75 -8.455 -1.580 9.972 1.00 0.00 C ATOM 837 C GLY A 75 -7.330 -0.846 9.237 1.00 0.00 C ATOM 838 O GLY A 75 -7.278 -0.931 7.988 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.524 -0.178 9.922 1.00 0.00 O ATOM 0 H GLY A 75 -9.439 -1.617 8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.730 -1.016 10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.091 -2.551 10.308 1.00 0.00 H new TER 843 GLY A 75