USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 442 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 61 ASN : amide:sc= -3.22! K(o=-1.8!,f=-5.1) USER MOD Set 1.2: A 73 THR OG1 : rot -98:sc= 1.42 USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= -1.26! USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= -0.157 USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0733 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.44) USER MOD Single : A 23 ASN : amide:sc= -2.43! K(o=-2.4!,f=-0.93) USER MOD Single : A 26 THR OG1 : rot -120:sc= -3.57! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 29 ASN : amide:sc= -3.5! C(o=-3.5!,f=-7.7!) USER MOD Single : A 30 SER OG : rot 35:sc= -1.14! USER MOD Single : A 31 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00795 K(o=-0.0079,f=-0.57) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 40 THR OG1 : rot -160:sc= -0.479 USER MOD Single : A 42 SER OG : rot -142:sc= 0.399 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.188! USER MOD Single : A 46 ASN : amide:sc= -3.14 K(o=-3.1,f=-4.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 50 THR OG1 : rot -138:sc= -6.52! USER MOD Single : A 52 THR OG1 : rot -43:sc= 0.643 USER MOD Single : A 53 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.8) USER MOD Single : A 54 SER OG : rot 136:sc= -1.84! USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -0.178 (180deg=-1.12) USER MOD Single : A 66 SER OG : rot 126:sc= 0.419 USER MOD Single : A 68 ASN : amide:sc= -3.38! C(o=-3.4!,f=-3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.031 (180deg=-0.225) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.1!) USER MOD Single : A 78 SER OG : rot 105:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -4.168 14.768 -7.521 1.00 0.00 N ATOM 81 CA CYS A 8 -3.854 15.036 -6.123 1.00 0.00 C ATOM 82 C CYS A 8 -2.381 15.399 -5.953 1.00 0.00 C ATOM 83 O CYS A 8 -1.748 15.026 -4.965 1.00 0.00 O ATOM 84 CB CYS A 8 -4.199 13.817 -5.262 1.00 0.00 C ATOM 85 SG CYS A 8 -5.529 14.119 -4.053 1.00 0.00 S ATOM 0 HA CYS A 8 -4.454 15.885 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.494 12.995 -5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.304 13.495 -4.730 1.00 0.00 H new ATOM 90 N THR A 9 -1.843 16.131 -6.922 1.00 0.00 N ATOM 91 CA THR A 9 -0.446 16.546 -6.881 1.00 0.00 C ATOM 92 C THR A 9 -0.156 17.368 -5.629 1.00 0.00 C ATOM 93 O THR A 9 0.867 17.177 -4.973 1.00 0.00 O ATOM 94 CB THR A 9 -0.096 17.359 -8.129 1.00 0.00 C ATOM 95 OG1 THR A 9 -0.941 17.005 -9.210 1.00 0.00 O ATOM 96 CG2 THR A 9 1.334 17.172 -8.583 1.00 0.00 C ATOM 0 H THR A 9 -2.353 16.449 -7.746 1.00 0.00 H new ATOM 0 HA THR A 9 0.171 15.648 -6.855 1.00 0.00 H new ATOM 0 HB THR A 9 -0.235 18.402 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.703 17.536 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.515 17.776 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.012 17.483 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.507 16.122 -8.817 1.00 0.00 H new ATOM 104 N SER A 10 -1.064 18.283 -5.303 1.00 0.00 N ATOM 105 CA SER A 10 -0.902 19.134 -4.128 1.00 0.00 C ATOM 106 C SER A 10 -0.775 18.296 -2.861 1.00 0.00 C ATOM 107 O SER A 10 -0.064 18.668 -1.928 1.00 0.00 O ATOM 108 CB SER A 10 -2.084 20.097 -4.001 1.00 0.00 C ATOM 109 OG SER A 10 -1.713 21.268 -3.294 1.00 0.00 O ATOM 0 H SER A 10 -1.918 18.454 -5.834 1.00 0.00 H new ATOM 0 HA SER A 10 0.015 19.710 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.446 20.367 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.907 19.602 -3.485 1.00 0.00 H new ATOM 0 HG SER A 10 -2.485 21.868 -3.227 1.00 0.00 H new ATOM 115 N CYS A 11 -1.467 17.162 -2.834 1.00 0.00 N ATOM 116 CA CYS A 11 -1.428 16.270 -1.682 1.00 0.00 C ATOM 117 C CYS A 11 -0.399 15.163 -1.887 1.00 0.00 C ATOM 118 O CYS A 11 -0.331 14.555 -2.956 1.00 0.00 O ATOM 119 CB CYS A 11 -2.811 15.660 -1.434 1.00 0.00 C ATOM 120 SG CYS A 11 -3.308 15.633 0.320 1.00 0.00 S ATOM 0 H CYS A 11 -2.062 16.839 -3.597 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.137 16.855 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.552 16.223 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.821 14.640 -1.819 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.490 15.102 0.428 1.00 0.00 H new ATOM 125 N THR A 12 0.403 14.909 -0.859 1.00 0.00 N ATOM 126 CA THR A 12 1.432 13.878 -0.928 1.00 0.00 C ATOM 127 C THR A 12 1.318 12.910 0.246 1.00 0.00 C ATOM 128 O THR A 12 1.643 11.730 0.122 1.00 0.00 O ATOM 129 CB THR A 12 2.821 14.517 -0.946 1.00 0.00 C ATOM 130 OG1 THR A 12 3.157 15.020 0.336 1.00 0.00 O ATOM 131 CG2 THR A 12 2.945 15.657 -1.934 1.00 0.00 C ATOM 0 H THR A 12 0.360 15.403 0.032 1.00 0.00 H new ATOM 0 HA THR A 12 1.285 13.316 -1.850 1.00 0.00 H new ATOM 0 HB THR A 12 3.501 13.721 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.050 15.423 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.955 16.064 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.740 15.291 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.229 16.438 -1.680 1.00 0.00 H new ATOM 139 N GLY A 13 0.856 13.416 1.386 1.00 0.00 N ATOM 140 CA GLY A 13 0.710 12.582 2.563 1.00 0.00 C ATOM 141 C GLY A 13 -0.183 11.381 2.320 1.00 0.00 C ATOM 142 O GLY A 13 0.303 10.274 2.088 1.00 0.00 O ATOM 0 H GLY A 13 0.580 14.390 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.693 12.240 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.297 13.178 3.377 1.00 0.00 H new ATOM 146 N ALA A 14 -1.493 11.600 2.372 1.00 0.00 N ATOM 147 CA ALA A 14 -2.457 10.527 2.154 1.00 0.00 C ATOM 148 C ALA A 14 -3.514 10.939 1.135 1.00 0.00 C ATOM 149 O ALA A 14 -4.105 12.013 1.239 1.00 0.00 O ATOM 150 CB ALA A 14 -3.114 10.131 3.469 1.00 0.00 C ATOM 0 H ALA A 14 -1.911 12.510 2.563 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.921 9.666 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.831 9.329 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.351 9.787 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.631 10.993 3.891 1.00 0.00 H new ATOM 156 N CYS A 15 -3.746 10.078 0.149 1.00 0.00 N ATOM 157 CA CYS A 15 -4.731 10.352 -0.891 1.00 0.00 C ATOM 158 C CYS A 15 -6.126 9.912 -0.450 1.00 0.00 C ATOM 159 O CYS A 15 -6.301 8.823 0.097 1.00 0.00 O ATOM 160 CB CYS A 15 -4.345 9.635 -2.188 1.00 0.00 C ATOM 161 SG CYS A 15 -3.439 10.672 -3.381 1.00 0.00 S ATOM 0 H CYS A 15 -3.265 9.184 0.049 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.747 11.428 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.733 8.768 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.251 9.260 -2.665 1.00 0.00 H new ATOM 166 N THR A 16 -7.116 10.764 -0.695 1.00 0.00 N ATOM 167 CA THR A 16 -8.494 10.459 -0.328 1.00 0.00 C ATOM 168 C THR A 16 -9.459 10.926 -1.413 1.00 0.00 C ATOM 169 O THR A 16 -9.463 12.097 -1.790 1.00 0.00 O ATOM 170 CB THR A 16 -8.849 11.116 1.006 1.00 0.00 C ATOM 171 OG1 THR A 16 -10.156 10.753 1.412 1.00 0.00 O ATOM 172 CG2 THR A 16 -8.784 12.628 0.968 1.00 0.00 C ATOM 0 H THR A 16 -6.990 11.670 -1.146 1.00 0.00 H new ATOM 0 HA THR A 16 -8.586 9.378 -0.225 1.00 0.00 H new ATOM 0 HB THR A 16 -8.101 10.755 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.364 11.182 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.048 13.028 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.773 12.942 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.484 13.004 0.222 1.00 0.00 H new ATOM 180 N GLY A 17 -10.277 10.003 -1.913 1.00 0.00 N ATOM 181 CA GLY A 17 -11.235 10.343 -2.952 1.00 0.00 C ATOM 182 C GLY A 17 -10.602 11.116 -4.093 1.00 0.00 C ATOM 183 O GLY A 17 -11.183 12.074 -4.605 1.00 0.00 O ATOM 0 H GLY A 17 -10.294 9.027 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.684 9.429 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.041 10.935 -2.519 1.00 0.00 H new ATOM 187 N CYS A 18 -9.405 10.698 -4.488 1.00 0.00 N ATOM 188 CA CYS A 18 -8.680 11.352 -5.570 1.00 0.00 C ATOM 189 C CYS A 18 -8.419 10.375 -6.713 1.00 0.00 C ATOM 190 O CYS A 18 -9.014 9.299 -6.772 1.00 0.00 O ATOM 191 CB CYS A 18 -7.354 11.909 -5.043 1.00 0.00 C ATOM 192 SG CYS A 18 -7.230 13.726 -5.092 1.00 0.00 S ATOM 0 H CYS A 18 -8.915 9.906 -4.073 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.289 12.171 -5.951 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.216 11.575 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.538 11.485 -5.628 1.00 0.00 H new ATOM 197 N GLY A 19 -7.515 10.752 -7.612 1.00 0.00 N ATOM 198 CA GLY A 19 -7.175 9.895 -8.732 1.00 0.00 C ATOM 199 C GLY A 19 -5.690 9.596 -8.775 1.00 0.00 C ATOM 200 O GLY A 19 -5.266 8.494 -8.430 1.00 0.00 O ATOM 0 H GLY A 19 -7.011 11.638 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.733 8.961 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.477 10.375 -9.663 1.00 0.00 H new ATOM 204 N ASN A 20 -4.899 10.583 -9.185 1.00 0.00 N ATOM 205 CA ASN A 20 -3.451 10.419 -9.258 1.00 0.00 C ATOM 206 C ASN A 20 -2.794 10.839 -7.947 1.00 0.00 C ATOM 207 O ASN A 20 -3.277 11.739 -7.261 1.00 0.00 O ATOM 208 CB ASN A 20 -2.873 11.238 -10.414 1.00 0.00 C ATOM 209 CG ASN A 20 -1.379 11.031 -10.579 1.00 0.00 C ATOM 210 OD1 ASN A 20 -0.936 10.313 -11.475 1.00 0.00 O ATOM 211 ND2 ASN A 20 -0.594 11.661 -9.712 1.00 0.00 N ATOM 0 H ASN A 20 -5.235 11.503 -9.471 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.241 9.364 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.380 10.963 -11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.074 12.296 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.419 11.559 -9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.004 12.247 -8.985 1.00 0.00 H new ATOM 218 N CYS A 21 -1.691 10.184 -7.607 1.00 0.00 N ATOM 219 CA CYS A 21 -0.965 10.492 -6.379 1.00 0.00 C ATOM 220 C CYS A 21 0.542 10.443 -6.615 1.00 0.00 C ATOM 221 O CYS A 21 1.016 9.739 -7.505 1.00 0.00 O ATOM 222 CB CYS A 21 -1.358 9.516 -5.269 1.00 0.00 C ATOM 223 SG CYS A 21 -3.153 9.430 -4.962 1.00 0.00 S ATOM 0 H CYS A 21 -1.279 9.436 -8.164 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.232 11.502 -6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.996 8.521 -5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.855 9.808 -4.347 1.00 0.00 H new ATOM 228 N PRO A 22 1.319 11.201 -5.822 1.00 0.00 N ATOM 229 CA PRO A 22 2.768 11.248 -5.956 1.00 0.00 C ATOM 230 C PRO A 22 3.480 10.141 -5.175 1.00 0.00 C ATOM 231 O PRO A 22 3.900 9.140 -5.755 1.00 0.00 O ATOM 232 CB PRO A 22 3.119 12.630 -5.405 1.00 0.00 C ATOM 233 CG PRO A 22 2.017 12.988 -4.455 1.00 0.00 C ATOM 234 CD PRO A 22 0.842 12.079 -4.741 1.00 0.00 C ATOM 0 HA PRO A 22 3.089 11.089 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.083 12.614 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.195 13.363 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.349 12.869 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.730 14.032 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.558 11.506 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.036 12.648 -5.048 1.00 0.00 H new ATOM 242 N ASN A 23 3.618 10.318 -3.862 1.00 0.00 N ATOM 243 CA ASN A 23 4.289 9.322 -3.028 1.00 0.00 C ATOM 244 C ASN A 23 3.415 8.920 -1.843 1.00 0.00 C ATOM 245 O ASN A 23 3.922 8.556 -0.782 1.00 0.00 O ATOM 246 CB ASN A 23 5.639 9.848 -2.521 1.00 0.00 C ATOM 247 CG ASN A 23 6.123 11.070 -3.280 1.00 0.00 C ATOM 248 OD1 ASN A 23 7.099 11.005 -4.028 1.00 0.00 O ATOM 249 ND2 ASN A 23 5.438 12.191 -3.090 1.00 0.00 N ATOM 0 H ASN A 23 3.277 11.135 -3.356 1.00 0.00 H new ATOM 0 HA ASN A 23 4.465 8.443 -3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.552 10.095 -1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.385 9.057 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.714 13.046 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.635 12.198 -2.460 1.00 0.00 H new ATOM 256 N ALA A 24 2.101 8.987 -2.032 1.00 0.00 N ATOM 257 CA ALA A 24 1.153 8.626 -0.981 1.00 0.00 C ATOM 258 C ALA A 24 1.486 7.262 -0.381 1.00 0.00 C ATOM 259 O ALA A 24 1.939 6.361 -1.087 1.00 0.00 O ATOM 260 CB ALA A 24 -0.262 8.622 -1.534 1.00 0.00 C ATOM 0 H ALA A 24 1.667 9.288 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 24 1.227 9.371 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.961 8.352 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.508 9.614 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.334 7.897 -2.345 1.00 0.00 H new ATOM 266 N VAL A 25 1.260 7.115 0.922 1.00 0.00 N ATOM 267 CA VAL A 25 1.541 5.854 1.604 1.00 0.00 C ATOM 268 C VAL A 25 0.254 5.132 2.009 1.00 0.00 C ATOM 269 O VAL A 25 0.298 4.006 2.502 1.00 0.00 O ATOM 270 CB VAL A 25 2.424 6.064 2.855 1.00 0.00 C ATOM 271 CG1 VAL A 25 3.513 7.090 2.579 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.585 6.479 4.055 1.00 0.00 C ATOM 0 H VAL A 25 0.885 7.848 1.524 1.00 0.00 H new ATOM 0 HA VAL A 25 2.084 5.234 0.890 1.00 0.00 H new ATOM 0 HB VAL A 25 2.901 5.113 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.123 7.223 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.141 6.742 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.056 8.042 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.232 6.620 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.069 7.413 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.852 5.702 4.273 1.00 0.00 H new ATOM 282 N THR A 26 -0.889 5.783 1.806 1.00 0.00 N ATOM 283 CA THR A 26 -2.175 5.189 2.157 1.00 0.00 C ATOM 284 C THR A 26 -3.325 6.014 1.590 1.00 0.00 C ATOM 285 O THR A 26 -3.353 7.237 1.732 1.00 0.00 O ATOM 286 CB THR A 26 -2.319 5.073 3.679 1.00 0.00 C ATOM 287 OG1 THR A 26 -1.115 5.431 4.331 1.00 0.00 O ATOM 288 CG2 THR A 26 -2.692 3.679 4.137 1.00 0.00 C ATOM 0 H THR A 26 -0.950 6.718 1.402 1.00 0.00 H new ATOM 0 HA THR A 26 -2.213 4.190 1.722 1.00 0.00 H new ATOM 0 HB THR A 26 -3.125 5.757 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.790 4.671 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.778 3.664 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.646 3.393 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.921 2.975 3.825 1.00 0.00 H new ATOM 296 N CYS A 27 -4.273 5.338 0.948 1.00 0.00 N ATOM 297 CA CYS A 27 -5.423 6.016 0.362 1.00 0.00 C ATOM 298 C CYS A 27 -6.617 5.078 0.250 1.00 0.00 C ATOM 299 O CYS A 27 -6.463 3.880 0.007 1.00 0.00 O ATOM 300 CB CYS A 27 -5.084 6.574 -1.025 1.00 0.00 C ATOM 301 SG CYS A 27 -3.742 5.696 -1.890 1.00 0.00 S ATOM 0 H CYS A 27 -4.268 4.326 0.821 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.683 6.841 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.980 6.541 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.807 7.623 -0.922 1.00 0.00 H new ATOM 306 N THR A 28 -7.808 5.638 0.411 1.00 0.00 N ATOM 307 CA THR A 28 -9.037 4.868 0.312 1.00 0.00 C ATOM 308 C THR A 28 -9.712 5.146 -1.026 1.00 0.00 C ATOM 309 O THR A 28 -10.168 6.262 -1.276 1.00 0.00 O ATOM 310 CB THR A 28 -9.980 5.218 1.465 1.00 0.00 C ATOM 311 OG1 THR A 28 -9.674 6.498 1.990 1.00 0.00 O ATOM 312 CG2 THR A 28 -9.920 4.227 2.609 1.00 0.00 C ATOM 0 H THR A 28 -7.948 6.628 0.612 1.00 0.00 H new ATOM 0 HA THR A 28 -8.796 3.807 0.375 1.00 0.00 H new ATOM 0 HB THR A 28 -10.982 5.195 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.288 6.705 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.612 4.534 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.197 3.237 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.907 4.196 3.011 1.00 0.00 H new ATOM 320 N ASN A 29 -9.753 4.133 -1.892 1.00 0.00 N ATOM 321 CA ASN A 29 -10.344 4.263 -3.203 1.00 0.00 C ATOM 322 C ASN A 29 -9.338 4.914 -4.149 1.00 0.00 C ATOM 323 O ASN A 29 -8.128 4.774 -3.976 1.00 0.00 O ATOM 324 CB ASN A 29 -11.646 5.078 -3.115 1.00 0.00 C ATOM 325 CG ASN A 29 -12.738 4.556 -4.026 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.733 4.811 -5.230 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.686 3.823 -3.452 1.00 0.00 N ATOM 0 H ASN A 29 -9.376 3.206 -1.695 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.596 3.278 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.005 5.068 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.435 6.117 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.450 3.447 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.650 3.637 -2.450 1.00 0.00 H new ATOM 334 N SER A 30 -9.856 5.614 -5.135 1.00 0.00 N ATOM 335 CA SER A 30 -9.044 6.312 -6.142 1.00 0.00 C ATOM 336 C SER A 30 -8.600 5.368 -7.257 1.00 0.00 C ATOM 337 O SER A 30 -8.993 4.205 -7.292 1.00 0.00 O ATOM 338 CB SER A 30 -7.815 6.974 -5.499 1.00 0.00 C ATOM 339 OG SER A 30 -7.128 7.788 -6.433 1.00 0.00 O ATOM 0 H SER A 30 -10.861 5.723 -5.273 1.00 0.00 H new ATOM 0 HA SER A 30 -9.674 7.087 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.127 7.577 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.142 6.206 -5.117 1.00 0.00 H new ATOM 0 HG SER A 30 -7.774 8.209 -7.038 1.00 0.00 H new ATOM 345 N GLN A 31 -7.798 5.886 -8.185 1.00 0.00 N ATOM 346 CA GLN A 31 -7.328 5.085 -9.313 1.00 0.00 C ATOM 347 C GLN A 31 -5.867 5.376 -9.648 1.00 0.00 C ATOM 348 O GLN A 31 -5.532 5.666 -10.798 1.00 0.00 O ATOM 349 CB GLN A 31 -8.204 5.341 -10.544 1.00 0.00 C ATOM 350 CG GLN A 31 -8.740 6.762 -10.638 1.00 0.00 C ATOM 351 CD GLN A 31 -9.421 7.038 -11.965 1.00 0.00 C ATOM 352 OE1 GLN A 31 -10.616 7.328 -12.014 1.00 0.00 O ATOM 353 NE2 GLN A 31 -8.661 6.949 -13.051 1.00 0.00 N ATOM 0 H GLN A 31 -7.462 6.849 -8.179 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.401 4.037 -9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.625 5.122 -11.441 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.044 4.647 -10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.448 6.935 -9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.920 7.466 -10.501 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.674 6.706 -12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.064 7.124 -13.971 1.00 0.00 H new ATOM 362 N HIS A 32 -4.996 5.286 -8.647 1.00 0.00 N ATOM 363 CA HIS A 32 -3.570 5.530 -8.851 1.00 0.00 C ATOM 364 C HIS A 32 -2.808 5.444 -7.534 1.00 0.00 C ATOM 365 O HIS A 32 -1.902 6.237 -7.273 1.00 0.00 O ATOM 366 CB HIS A 32 -3.340 6.897 -9.498 1.00 0.00 C ATOM 367 CG HIS A 32 -2.329 6.872 -10.602 1.00 0.00 C ATOM 368 ND1 HIS A 32 -0.974 6.996 -10.385 1.00 0.00 N ATOM 369 CD2 HIS A 32 -2.483 6.730 -11.940 1.00 0.00 C ATOM 370 CE1 HIS A 32 -0.336 6.934 -11.540 1.00 0.00 C ATOM 371 NE2 HIS A 32 -1.229 6.772 -12.499 1.00 0.00 N ATOM 0 H HIS A 32 -5.251 5.047 -7.689 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.194 4.757 -9.521 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.287 7.268 -9.891 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.014 7.602 -8.733 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -3.417 6.607 -12.468 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.733 7.004 -11.677 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.021 6.691 -13.494 1.00 0.00 H new ATOM 380 N CYS A 33 -3.180 4.473 -6.709 1.00 0.00 N ATOM 381 CA CYS A 33 -2.533 4.273 -5.420 1.00 0.00 C ATOM 382 C CYS A 33 -1.505 3.150 -5.514 1.00 0.00 C ATOM 383 O CYS A 33 -1.517 2.212 -4.717 1.00 0.00 O ATOM 384 CB CYS A 33 -3.579 3.945 -4.357 1.00 0.00 C ATOM 385 SG CYS A 33 -4.493 5.399 -3.751 1.00 0.00 S ATOM 0 H CYS A 33 -3.929 3.810 -6.911 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.019 5.192 -5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.289 3.227 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.087 3.460 -3.514 1.00 0.00 H new ATOM 390 N VAL A 34 -0.626 3.251 -6.506 1.00 0.00 N ATOM 391 CA VAL A 34 0.403 2.242 -6.726 1.00 0.00 C ATOM 392 C VAL A 34 1.536 2.340 -5.710 1.00 0.00 C ATOM 393 O VAL A 34 2.479 1.549 -5.753 1.00 0.00 O ATOM 394 CB VAL A 34 0.997 2.347 -8.143 1.00 0.00 C ATOM 395 CG1 VAL A 34 -0.003 1.862 -9.180 1.00 0.00 C ATOM 396 CG2 VAL A 34 1.440 3.776 -8.437 1.00 0.00 C ATOM 0 H VAL A 34 -0.606 4.024 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.091 1.278 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 34 1.876 1.705 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.435 1.944 -10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.258 0.821 -8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.905 2.472 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.857 3.828 -9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.583 4.445 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.198 4.078 -7.714 1.00 0.00 H new ATOM 406 N LYS A 35 1.455 3.306 -4.801 1.00 0.00 N ATOM 407 CA LYS A 35 2.495 3.476 -3.796 1.00 0.00 C ATOM 408 C LYS A 35 1.911 3.572 -2.389 1.00 0.00 C ATOM 409 O LYS A 35 2.591 4.003 -1.457 1.00 0.00 O ATOM 410 CB LYS A 35 3.323 4.725 -4.100 1.00 0.00 C ATOM 411 CG LYS A 35 4.612 4.436 -4.847 1.00 0.00 C ATOM 412 CD LYS A 35 4.349 3.709 -6.155 1.00 0.00 C ATOM 413 CE LYS A 35 5.295 4.174 -7.248 1.00 0.00 C ATOM 414 NZ LYS A 35 5.294 3.249 -8.415 1.00 0.00 N ATOM 0 H LYS A 35 0.688 3.976 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 35 3.136 2.595 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.719 5.416 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.561 5.229 -3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.134 5.371 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.269 3.833 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.463 2.635 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.319 3.880 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.007 5.173 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.305 4.250 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.952 3.602 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.593 2.302 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.336 3.196 -8.815 1.00 0.00 H new ATOM 428 N ALA A 36 0.655 3.167 -2.234 1.00 0.00 N ATOM 429 CA ALA A 36 0.000 3.209 -0.933 1.00 0.00 C ATOM 430 C ALA A 36 0.092 1.857 -0.237 1.00 0.00 C ATOM 431 O ALA A 36 -0.035 0.813 -0.875 1.00 0.00 O ATOM 432 CB ALA A 36 -1.453 3.633 -1.087 1.00 0.00 C ATOM 0 H ALA A 36 0.073 2.807 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 36 0.513 3.944 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.930 3.660 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.497 4.624 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.975 2.919 -1.725 1.00 0.00 H new ATOM 438 N ASN A 37 0.317 1.881 1.071 1.00 0.00 N ATOM 439 CA ASN A 37 0.428 0.654 1.850 1.00 0.00 C ATOM 440 C ASN A 37 -0.928 -0.041 1.993 1.00 0.00 C ATOM 441 O ASN A 37 -1.000 -1.186 2.438 1.00 0.00 O ATOM 442 CB ASN A 37 1.005 0.955 3.234 1.00 0.00 C ATOM 443 CG ASN A 37 2.305 1.732 3.162 1.00 0.00 C ATOM 444 OD1 ASN A 37 3.048 1.632 2.187 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.588 2.511 4.201 1.00 0.00 N ATOM 0 H ASN A 37 0.426 2.737 1.615 1.00 0.00 H new ATOM 0 HA ASN A 37 1.100 -0.018 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.277 1.523 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.174 0.019 3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.450 3.056 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.943 2.564 4.989 1.00 0.00 H new ATOM 452 N THR A 38 -2.000 0.655 1.619 1.00 0.00 N ATOM 453 CA THR A 38 -3.344 0.094 1.714 1.00 0.00 C ATOM 454 C THR A 38 -4.289 0.753 0.713 1.00 0.00 C ATOM 455 O THR A 38 -4.145 1.933 0.393 1.00 0.00 O ATOM 456 CB THR A 38 -3.887 0.270 3.134 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.899 -0.060 4.093 1.00 0.00 O ATOM 458 CG2 THR A 38 -5.106 -0.581 3.420 1.00 0.00 C ATOM 0 H THR A 38 -1.963 1.605 1.249 1.00 0.00 H new ATOM 0 HA THR A 38 -3.283 -0.968 1.478 1.00 0.00 H new ATOM 0 HB THR A 38 -4.172 1.320 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.265 0.060 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.439 -0.408 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.906 -0.315 2.728 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.852 -1.634 3.294 1.00 0.00 H new ATOM 466 N CYS A 39 -5.258 -0.018 0.223 1.00 0.00 N ATOM 467 CA CYS A 39 -6.229 0.490 -0.740 1.00 0.00 C ATOM 468 C CYS A 39 -7.637 0.018 -0.388 1.00 0.00 C ATOM 469 O CYS A 39 -7.811 -1.022 0.246 1.00 0.00 O ATOM 470 CB CYS A 39 -5.866 0.032 -2.156 1.00 0.00 C ATOM 471 SG CYS A 39 -4.660 1.106 -3.004 1.00 0.00 S ATOM 0 H CYS A 39 -5.390 -0.997 0.478 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.206 1.579 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.463 -0.979 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.776 -0.017 -2.754 1.00 0.00 H new ATOM 476 N THR A 40 -8.638 0.787 -0.805 1.00 0.00 N ATOM 477 CA THR A 40 -10.033 0.445 -0.538 1.00 0.00 C ATOM 478 C THR A 40 -10.942 1.004 -1.627 1.00 0.00 C ATOM 479 O THR A 40 -11.312 2.177 -1.594 1.00 0.00 O ATOM 480 CB THR A 40 -10.462 0.984 0.828 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.351 1.071 1.703 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.515 0.133 1.504 1.00 0.00 C ATOM 0 H THR A 40 -8.510 1.652 -1.330 1.00 0.00 H new ATOM 0 HA THR A 40 -10.122 -0.641 -0.533 1.00 0.00 H new ATOM 0 HB THR A 40 -10.887 1.968 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.667 1.104 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.774 0.572 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.404 0.087 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.126 -0.874 1.656 1.00 0.00 H new ATOM 490 N GLY A 41 -11.297 0.166 -2.597 1.00 0.00 N ATOM 491 CA GLY A 41 -12.151 0.618 -3.680 1.00 0.00 C ATOM 492 C GLY A 41 -11.394 1.440 -4.690 1.00 0.00 C ATOM 493 O GLY A 41 -11.873 2.481 -5.129 1.00 0.00 O ATOM 0 H GLY A 41 -11.011 -0.811 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.596 -0.245 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.971 1.209 -3.273 1.00 0.00 H new ATOM 497 N SER A 42 -10.212 0.985 -5.069 1.00 0.00 N ATOM 498 CA SER A 42 -9.413 1.716 -6.028 1.00 0.00 C ATOM 499 C SER A 42 -9.028 0.772 -7.143 1.00 0.00 C ATOM 500 O SER A 42 -9.731 -0.199 -7.375 1.00 0.00 O ATOM 501 CB SER A 42 -8.165 2.290 -5.347 1.00 0.00 C ATOM 502 OG SER A 42 -8.291 2.253 -3.936 1.00 0.00 O ATOM 0 H SER A 42 -9.790 0.121 -4.729 1.00 0.00 H new ATOM 0 HA SER A 42 -9.983 2.551 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.287 1.721 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.009 3.318 -5.674 1.00 0.00 H new ATOM 0 HG SER A 42 -7.895 3.062 -3.551 1.00 0.00 H new ATOM 508 N THR A 43 -7.927 1.043 -7.830 1.00 0.00 N ATOM 509 CA THR A 43 -7.492 0.161 -8.898 1.00 0.00 C ATOM 510 C THR A 43 -5.972 0.032 -8.925 1.00 0.00 C ATOM 511 O THR A 43 -5.418 -0.972 -8.478 1.00 0.00 O ATOM 512 CB THR A 43 -8.062 0.618 -10.236 1.00 0.00 C ATOM 513 OG1 THR A 43 -7.263 1.628 -10.826 1.00 0.00 O ATOM 514 CG2 THR A 43 -9.475 1.147 -10.117 1.00 0.00 C ATOM 0 H THR A 43 -7.329 1.853 -7.669 1.00 0.00 H new ATOM 0 HA THR A 43 -7.884 -0.838 -8.704 1.00 0.00 H new ATOM 0 HB THR A 43 -8.067 -0.272 -10.866 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.656 1.897 -11.683 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.831 1.458 -11.099 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.125 0.364 -9.727 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.488 2.001 -9.439 1.00 0.00 H new ATOM 522 N ASP A 44 -5.307 1.059 -9.435 1.00 0.00 N ATOM 523 CA ASP A 44 -3.856 1.087 -9.508 1.00 0.00 C ATOM 524 C ASP A 44 -3.266 1.015 -8.107 1.00 0.00 C ATOM 525 O ASP A 44 -2.899 2.030 -7.516 1.00 0.00 O ATOM 526 CB ASP A 44 -3.381 2.359 -10.215 1.00 0.00 C ATOM 527 CG ASP A 44 -3.115 2.134 -11.691 1.00 0.00 C ATOM 528 OD1 ASP A 44 -3.778 1.259 -12.287 1.00 0.00 O ATOM 529 OD2 ASP A 44 -2.245 2.833 -12.251 1.00 0.00 O ATOM 0 H ASP A 44 -5.758 1.894 -9.809 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.517 0.225 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.134 3.139 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.471 2.720 -9.735 1.00 0.00 H new ATOM 534 N CYS A 45 -3.210 -0.196 -7.583 1.00 0.00 N ATOM 535 CA CYS A 45 -2.698 -0.442 -6.237 1.00 0.00 C ATOM 536 C CYS A 45 -1.738 -1.627 -6.219 1.00 0.00 C ATOM 537 O CYS A 45 -2.107 -2.733 -5.825 1.00 0.00 O ATOM 538 CB CYS A 45 -3.866 -0.729 -5.294 1.00 0.00 C ATOM 539 SG CYS A 45 -4.945 0.704 -4.976 1.00 0.00 S ATOM 0 H CYS A 45 -3.516 -1.037 -8.072 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.157 0.446 -5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.467 -1.535 -5.715 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.470 -1.089 -4.344 1.00 0.00 H new ATOM 544 N ASN A 46 -0.505 -1.383 -6.649 1.00 0.00 N ATOM 545 CA ASN A 46 0.516 -2.424 -6.692 1.00 0.00 C ATOM 546 C ASN A 46 1.152 -2.656 -5.320 1.00 0.00 C ATOM 547 O ASN A 46 1.379 -3.801 -4.928 1.00 0.00 O ATOM 548 CB ASN A 46 1.595 -2.056 -7.713 1.00 0.00 C ATOM 549 CG ASN A 46 2.704 -3.089 -7.789 1.00 0.00 C ATOM 550 OD1 ASN A 46 3.357 -3.390 -6.789 1.00 0.00 O ATOM 551 ND2 ASN A 46 2.919 -3.640 -8.978 1.00 0.00 N ATOM 0 H ASN A 46 -0.187 -0.470 -6.974 1.00 0.00 H new ATOM 0 HA ASN A 46 0.029 -3.352 -6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.137 -1.947 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.023 -1.088 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.650 -4.343 -9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.354 -3.360 -9.780 1.00 0.00 H new ATOM 558 N THR A 47 1.454 -1.578 -4.596 1.00 0.00 N ATOM 559 CA THR A 47 2.081 -1.708 -3.282 1.00 0.00 C ATOM 560 C THR A 47 1.047 -1.755 -2.151 1.00 0.00 C ATOM 561 O THR A 47 1.412 -1.767 -0.976 1.00 0.00 O ATOM 562 CB THR A 47 3.076 -0.563 -3.052 1.00 0.00 C ATOM 563 OG1 THR A 47 4.154 -0.998 -2.242 1.00 0.00 O ATOM 564 CG2 THR A 47 2.468 0.654 -2.386 1.00 0.00 C ATOM 0 H THR A 47 1.277 -0.618 -4.892 1.00 0.00 H new ATOM 0 HA THR A 47 2.617 -2.657 -3.269 1.00 0.00 H new ATOM 0 HB THR A 47 3.410 -0.274 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.781 -0.257 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.234 1.419 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.664 1.046 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.068 0.374 -1.411 1.00 0.00 H new ATOM 572 N ALA A 48 -0.235 -1.783 -2.504 1.00 0.00 N ATOM 573 CA ALA A 48 -1.297 -1.832 -1.502 1.00 0.00 C ATOM 574 C ALA A 48 -1.280 -3.153 -0.745 1.00 0.00 C ATOM 575 O ALA A 48 -1.080 -4.215 -1.333 1.00 0.00 O ATOM 576 CB ALA A 48 -2.651 -1.619 -2.154 1.00 0.00 C ATOM 0 H ALA A 48 -0.563 -1.773 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.119 -1.029 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.431 -1.658 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.670 -0.645 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.826 -2.400 -2.894 1.00 0.00 H new ATOM 582 N GLN A 49 -1.493 -3.079 0.566 1.00 0.00 N ATOM 583 CA GLN A 49 -1.507 -4.270 1.405 1.00 0.00 C ATOM 584 C GLN A 49 -2.908 -4.866 1.495 1.00 0.00 C ATOM 585 O GLN A 49 -3.110 -5.884 2.158 1.00 0.00 O ATOM 586 CB GLN A 49 -0.989 -3.937 2.806 1.00 0.00 C ATOM 587 CG GLN A 49 -0.513 -5.153 3.584 1.00 0.00 C ATOM 588 CD GLN A 49 0.996 -5.304 3.566 1.00 0.00 C ATOM 589 OE1 GLN A 49 1.646 -5.289 4.611 1.00 0.00 O ATOM 590 NE2 GLN A 49 1.562 -5.451 2.373 1.00 0.00 N ATOM 0 H GLN A 49 -1.658 -2.207 1.068 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.851 -5.010 0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.167 -3.226 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.781 -3.443 3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.854 -5.075 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.969 -6.050 3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.985 -5.458 1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.574 -5.557 2.298 1.00 0.00 H new ATOM 599 N THR A 50 -3.876 -4.238 0.827 1.00 0.00 N ATOM 600 CA THR A 50 -5.246 -4.725 0.841 1.00 0.00 C ATOM 601 C THR A 50 -6.147 -3.848 -0.034 1.00 0.00 C ATOM 602 O THR A 50 -5.842 -2.681 -0.281 1.00 0.00 O ATOM 603 CB THR A 50 -5.768 -4.760 2.278 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.716 -5.795 2.448 1.00 0.00 O ATOM 605 CG2 THR A 50 -6.416 -3.467 2.700 1.00 0.00 C ATOM 0 H THR A 50 -3.733 -3.394 0.273 1.00 0.00 H new ATOM 0 HA THR A 50 -5.260 -5.735 0.431 1.00 0.00 H new ATOM 0 HB THR A 50 -4.891 -4.932 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.462 -5.469 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.766 -3.554 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.690 -2.657 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.261 -3.253 2.046 1.00 0.00 H new ATOM 613 N CYS A 51 -7.257 -4.418 -0.490 1.00 0.00 N ATOM 614 CA CYS A 51 -8.212 -3.696 -1.330 1.00 0.00 C ATOM 615 C CYS A 51 -9.494 -4.511 -1.479 1.00 0.00 C ATOM 616 O CYS A 51 -9.586 -5.625 -0.964 1.00 0.00 O ATOM 617 CB CYS A 51 -7.611 -3.375 -2.708 1.00 0.00 C ATOM 618 SG CYS A 51 -6.123 -4.350 -3.127 1.00 0.00 S ATOM 0 H CYS A 51 -7.521 -5.383 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.448 -2.749 -0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.370 -3.547 -3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.358 -2.315 -2.743 1.00 0.00 H new ATOM 623 N THR A 52 -10.491 -3.957 -2.163 1.00 0.00 N ATOM 624 CA THR A 52 -11.757 -4.661 -2.331 1.00 0.00 C ATOM 625 C THR A 52 -12.423 -4.350 -3.671 1.00 0.00 C ATOM 626 O THR A 52 -13.621 -4.581 -3.837 1.00 0.00 O ATOM 627 CB THR A 52 -12.705 -4.305 -1.184 1.00 0.00 C ATOM 628 OG1 THR A 52 -13.833 -5.162 -1.183 1.00 0.00 O ATOM 629 CG2 THR A 52 -13.209 -2.879 -1.239 1.00 0.00 C ATOM 0 H THR A 52 -10.449 -3.038 -2.603 1.00 0.00 H new ATOM 0 HA THR A 52 -11.539 -5.729 -2.317 1.00 0.00 H new ATOM 0 HB THR A 52 -12.115 -4.426 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.155 -5.280 -2.101 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.876 -2.696 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.364 -2.192 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.751 -2.720 -2.171 1.00 0.00 H new ATOM 637 N ASN A 53 -11.657 -3.832 -4.626 1.00 0.00 N ATOM 638 CA ASN A 53 -12.208 -3.507 -5.939 1.00 0.00 C ATOM 639 C ASN A 53 -11.190 -2.768 -6.803 1.00 0.00 C ATOM 640 O ASN A 53 -11.535 -1.830 -7.520 1.00 0.00 O ATOM 641 CB ASN A 53 -13.481 -2.663 -5.789 1.00 0.00 C ATOM 642 CG ASN A 53 -14.741 -3.459 -6.078 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.602 -3.617 -5.213 1.00 0.00 O ATOM 644 ND2 ASN A 53 -14.854 -3.966 -7.302 1.00 0.00 N ATOM 0 H ASN A 53 -10.663 -3.630 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.456 -4.445 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.531 -2.263 -4.776 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.430 -1.810 -6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.679 -4.510 -7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.116 -3.811 -7.989 1.00 0.00 H new ATOM 651 N SER A 54 -9.934 -3.199 -6.740 1.00 0.00 N ATOM 652 CA SER A 54 -8.878 -2.572 -7.527 1.00 0.00 C ATOM 653 C SER A 54 -8.535 -3.410 -8.752 1.00 0.00 C ATOM 654 O SER A 54 -9.213 -4.391 -9.055 1.00 0.00 O ATOM 655 CB SER A 54 -7.628 -2.352 -6.676 1.00 0.00 C ATOM 656 OG SER A 54 -7.932 -2.420 -5.296 1.00 0.00 O ATOM 0 H SER A 54 -9.624 -3.975 -6.156 1.00 0.00 H new ATOM 0 HA SER A 54 -9.248 -1.604 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.879 -3.104 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.193 -1.380 -6.908 1.00 0.00 H new ATOM 0 HG SER A 54 -7.246 -2.947 -4.836 1.00 0.00 H new ATOM 662 N LYS A 55 -7.477 -3.016 -9.456 1.00 0.00 N ATOM 663 CA LYS A 55 -7.046 -3.733 -10.648 1.00 0.00 C ATOM 664 C LYS A 55 -5.530 -3.920 -10.663 1.00 0.00 C ATOM 665 O LYS A 55 -4.940 -4.196 -11.708 1.00 0.00 O ATOM 666 CB LYS A 55 -7.481 -2.965 -11.896 1.00 0.00 C ATOM 667 CG LYS A 55 -8.937 -3.195 -12.275 1.00 0.00 C ATOM 668 CD LYS A 55 -9.612 -1.904 -12.715 1.00 0.00 C ATOM 669 CE LYS A 55 -10.960 -1.719 -12.035 1.00 0.00 C ATOM 670 NZ LYS A 55 -11.760 -2.974 -12.040 1.00 0.00 N ATOM 0 H LYS A 55 -6.905 -2.205 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.511 -4.719 -10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.321 -1.899 -11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.846 -3.257 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.993 -3.928 -13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.473 -3.615 -11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.967 -1.057 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.747 -1.913 -13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.806 -1.390 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.517 -0.931 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.773 -2.740 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.505 -3.545 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.562 -3.516 -11.175 1.00 0.00 H new ATOM 684 N ASP A 56 -4.905 -3.779 -9.497 1.00 0.00 N ATOM 685 CA ASP A 56 -3.462 -3.944 -9.379 1.00 0.00 C ATOM 686 C ASP A 56 -3.077 -4.473 -7.999 1.00 0.00 C ATOM 687 O ASP A 56 -1.931 -4.330 -7.577 1.00 0.00 O ATOM 688 CB ASP A 56 -2.749 -2.619 -9.661 1.00 0.00 C ATOM 689 CG ASP A 56 -1.823 -2.696 -10.862 1.00 0.00 C ATOM 690 OD1 ASP A 56 -1.821 -3.740 -11.548 1.00 0.00 O ATOM 691 OD2 ASP A 56 -1.101 -1.710 -11.118 1.00 0.00 O ATOM 0 H ASP A 56 -5.376 -3.551 -8.622 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.146 -4.678 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.492 -1.840 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.174 -2.326 -8.782 1.00 0.00 H new ATOM 696 N CYS A 57 -4.038 -5.074 -7.301 1.00 0.00 N ATOM 697 CA CYS A 57 -3.798 -5.614 -5.965 1.00 0.00 C ATOM 698 C CYS A 57 -2.773 -6.747 -5.998 1.00 0.00 C ATOM 699 O CYS A 57 -3.105 -7.904 -5.742 1.00 0.00 O ATOM 700 CB CYS A 57 -5.107 -6.121 -5.356 1.00 0.00 C ATOM 701 SG CYS A 57 -6.360 -4.830 -5.082 1.00 0.00 S ATOM 0 H CYS A 57 -4.992 -5.199 -7.639 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.398 -4.809 -5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.527 -6.884 -6.012 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.887 -6.604 -4.404 1.00 0.00 H new ATOM 706 N PHE A 58 -1.529 -6.406 -6.310 1.00 0.00 N ATOM 707 CA PHE A 58 -0.458 -7.394 -6.376 1.00 0.00 C ATOM 708 C PHE A 58 -0.005 -7.811 -4.979 1.00 0.00 C ATOM 709 O PHE A 58 0.001 -8.996 -4.648 1.00 0.00 O ATOM 710 CB PHE A 58 0.732 -6.832 -7.155 1.00 0.00 C ATOM 711 CG PHE A 58 0.460 -6.588 -8.588 1.00 0.00 C ATOM 712 CD1 PHE A 58 0.164 -7.637 -9.434 1.00 0.00 C ATOM 713 CD2 PHE A 58 0.527 -5.306 -9.093 1.00 0.00 C ATOM 714 CE1 PHE A 58 -0.062 -7.409 -10.765 1.00 0.00 C ATOM 715 CE2 PHE A 58 0.299 -5.071 -10.421 1.00 0.00 C ATOM 716 CZ PHE A 58 0.007 -6.123 -11.254 1.00 0.00 C ATOM 0 H PHE A 58 -1.236 -5.452 -6.522 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.846 -8.273 -6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.045 -5.896 -6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.568 -7.526 -7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.110 -8.643 -9.044 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.761 -4.482 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.293 -8.231 -11.426 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.348 -4.065 -10.812 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.170 -5.940 -12.304 1.00 0.00 H new ATOM 726 N GLU A 59 0.382 -6.831 -4.169 1.00 0.00 N ATOM 727 CA GLU A 59 0.848 -7.100 -2.812 1.00 0.00 C ATOM 728 C GLU A 59 -0.250 -6.836 -1.786 1.00 0.00 C ATOM 729 O GLU A 59 0.020 -6.353 -0.687 1.00 0.00 O ATOM 730 CB GLU A 59 2.074 -6.242 -2.494 1.00 0.00 C ATOM 731 CG GLU A 59 3.350 -6.740 -3.152 1.00 0.00 C ATOM 732 CD GLU A 59 4.299 -5.613 -3.511 1.00 0.00 C ATOM 733 OE1 GLU A 59 4.425 -4.663 -2.710 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.917 -5.681 -4.594 1.00 0.00 O ATOM 0 H GLU A 59 0.382 -5.844 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 59 1.121 -8.154 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.884 -5.218 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.218 -6.215 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.854 -7.434 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.096 -7.297 -4.054 1.00 0.00 H new ATOM 741 N ALA A 60 -1.488 -7.158 -2.146 1.00 0.00 N ATOM 742 CA ALA A 60 -2.616 -6.953 -1.246 1.00 0.00 C ATOM 743 C ALA A 60 -2.835 -8.166 -0.354 1.00 0.00 C ATOM 744 O ALA A 60 -2.412 -9.276 -0.678 1.00 0.00 O ATOM 745 CB ALA A 60 -3.882 -6.653 -2.029 1.00 0.00 C ATOM 0 H ALA A 60 -1.735 -7.560 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.380 -6.097 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.711 -6.504 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.737 -5.750 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.108 -7.490 -2.690 1.00 0.00 H new ATOM 751 N ASN A 61 -3.504 -7.944 0.768 1.00 0.00 N ATOM 752 CA ASN A 61 -3.792 -9.013 1.713 1.00 0.00 C ATOM 753 C ASN A 61 -5.154 -9.636 1.430 1.00 0.00 C ATOM 754 O ASN A 61 -5.302 -10.858 1.456 1.00 0.00 O ATOM 755 CB ASN A 61 -3.749 -8.482 3.146 1.00 0.00 C ATOM 756 CG ASN A 61 -3.888 -9.586 4.175 1.00 0.00 C ATOM 757 OD1 ASN A 61 -4.986 -10.085 4.423 1.00 0.00 O ATOM 758 ND2 ASN A 61 -2.772 -9.972 4.783 1.00 0.00 N ATOM 0 H ASN A 61 -3.859 -7.029 1.047 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.029 -9.782 1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.809 -7.955 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.550 -7.756 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.804 -10.710 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.883 -9.531 4.546 1.00 0.00 H new ATOM 765 N THR A 62 -6.150 -8.796 1.154 1.00 0.00 N ATOM 766 CA THR A 62 -7.493 -9.289 0.866 1.00 0.00 C ATOM 767 C THR A 62 -7.939 -8.874 -0.534 1.00 0.00 C ATOM 768 O THR A 62 -8.697 -7.922 -0.706 1.00 0.00 O ATOM 769 CB THR A 62 -8.491 -8.794 1.921 1.00 0.00 C ATOM 770 OG1 THR A 62 -9.721 -9.489 1.811 1.00 0.00 O ATOM 771 CG2 THR A 62 -8.795 -7.313 1.833 1.00 0.00 C ATOM 0 H THR A 62 -6.053 -7.781 1.124 1.00 0.00 H new ATOM 0 HA THR A 62 -7.467 -10.378 0.903 1.00 0.00 H new ATOM 0 HB THR A 62 -8.005 -8.986 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.344 -9.161 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.508 -7.041 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.875 -6.744 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.221 -7.087 0.856 1.00 0.00 H new ATOM 779 N CYS A 63 -7.461 -9.603 -1.535 1.00 0.00 N ATOM 780 CA CYS A 63 -7.807 -9.312 -2.919 1.00 0.00 C ATOM 781 C CYS A 63 -9.263 -9.669 -3.198 1.00 0.00 C ATOM 782 O CYS A 63 -9.553 -10.650 -3.885 1.00 0.00 O ATOM 783 CB CYS A 63 -6.889 -10.086 -3.867 1.00 0.00 C ATOM 784 SG CYS A 63 -5.472 -9.121 -4.478 1.00 0.00 S ATOM 0 H CYS A 63 -6.834 -10.398 -1.414 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.674 -8.243 -3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.517 -10.972 -3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.473 -10.433 -4.719 1.00 0.00 H new ATOM 789 N THR A 64 -10.175 -8.867 -2.662 1.00 0.00 N ATOM 790 CA THR A 64 -11.595 -9.091 -2.851 1.00 0.00 C ATOM 791 C THR A 64 -12.111 -8.263 -4.024 1.00 0.00 C ATOM 792 O THR A 64 -12.026 -7.035 -4.014 1.00 0.00 O ATOM 793 CB THR A 64 -12.344 -8.731 -1.568 1.00 0.00 C ATOM 794 OG1 THR A 64 -12.137 -9.718 -0.572 1.00 0.00 O ATOM 795 CG2 THR A 64 -13.832 -8.584 -1.763 1.00 0.00 C ATOM 0 H THR A 64 -9.950 -8.052 -2.091 1.00 0.00 H new ATOM 0 HA THR A 64 -11.766 -10.143 -3.078 1.00 0.00 H new ATOM 0 HB THR A 64 -11.939 -7.767 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.623 -9.469 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 64 -14.300 -8.328 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 64 -14.028 -7.794 -2.488 1.00 0.00 H new ATOM 0 HG23 THR A 64 -14.245 -9.523 -2.130 1.00 0.00 H new ATOM 803 N ASP A 65 -12.636 -8.941 -5.039 1.00 0.00 N ATOM 804 CA ASP A 65 -13.152 -8.264 -6.221 1.00 0.00 C ATOM 805 C ASP A 65 -12.036 -7.501 -6.926 1.00 0.00 C ATOM 806 O ASP A 65 -12.248 -6.401 -7.435 1.00 0.00 O ATOM 807 CB ASP A 65 -14.280 -7.304 -5.836 1.00 0.00 C ATOM 808 CG ASP A 65 -15.629 -7.993 -5.765 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.285 -8.124 -6.820 1.00 0.00 O ATOM 810 OD2 ASP A 65 -16.030 -8.401 -4.654 1.00 0.00 O ATOM 0 H ASP A 65 -12.715 -9.958 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.548 -9.016 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.055 -6.853 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.327 -6.494 -6.563 1.00 0.00 H new ATOM 815 N SER A 66 -10.846 -8.094 -6.947 1.00 0.00 N ATOM 816 CA SER A 66 -9.694 -7.471 -7.587 1.00 0.00 C ATOM 817 C SER A 66 -8.970 -8.468 -8.485 1.00 0.00 C ATOM 818 O SER A 66 -8.796 -9.631 -8.125 1.00 0.00 O ATOM 819 CB SER A 66 -8.732 -6.923 -6.530 1.00 0.00 C ATOM 820 OG SER A 66 -8.321 -7.942 -5.635 1.00 0.00 O ATOM 0 H SER A 66 -10.655 -9.004 -6.528 1.00 0.00 H new ATOM 0 HA SER A 66 -10.051 -6.646 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.859 -6.490 -7.018 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.217 -6.121 -5.974 1.00 0.00 H new ATOM 0 HG SER A 66 -7.342 -7.974 -5.603 1.00 0.00 H new ATOM 826 N THR A 67 -8.555 -8.004 -9.658 1.00 0.00 N ATOM 827 CA THR A 67 -7.856 -8.855 -10.613 1.00 0.00 C ATOM 828 C THR A 67 -6.376 -8.496 -10.686 1.00 0.00 C ATOM 829 O THR A 67 -5.996 -7.350 -10.441 1.00 0.00 O ATOM 830 CB THR A 67 -8.501 -8.742 -12.003 1.00 0.00 C ATOM 831 OG1 THR A 67 -7.539 -8.916 -13.029 1.00 0.00 O ATOM 832 CG2 THR A 67 -9.191 -7.417 -12.248 1.00 0.00 C ATOM 0 H THR A 67 -8.691 -7.043 -9.971 1.00 0.00 H new ATOM 0 HA THR A 67 -7.938 -9.886 -10.270 1.00 0.00 H new ATOM 0 HB THR A 67 -9.250 -9.533 -12.025 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.976 -8.841 -13.903 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.622 -7.411 -13.249 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.982 -7.277 -11.511 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.466 -6.608 -12.160 1.00 0.00 H new ATOM 840 N ASN A 68 -5.546 -9.484 -11.026 1.00 0.00 N ATOM 841 CA ASN A 68 -4.101 -9.275 -11.137 1.00 0.00 C ATOM 842 C ASN A 68 -3.428 -9.324 -9.768 1.00 0.00 C ATOM 843 O ASN A 68 -2.511 -8.552 -9.491 1.00 0.00 O ATOM 844 CB ASN A 68 -3.797 -7.938 -11.824 1.00 0.00 C ATOM 845 CG ASN A 68 -2.754 -8.073 -12.917 1.00 0.00 C ATOM 846 OD1 ASN A 68 -1.760 -7.349 -12.936 1.00 0.00 O ATOM 847 ND2 ASN A 68 -2.979 -9.004 -13.836 1.00 0.00 N ATOM 0 H ASN A 68 -5.849 -10.436 -11.229 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.697 -10.084 -11.746 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.716 -7.535 -12.250 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.449 -7.221 -11.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.314 -9.141 -14.597 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.817 -9.583 -13.781 1.00 0.00 H new ATOM 854 N CYS A 69 -3.886 -10.236 -8.915 1.00 0.00 N ATOM 855 CA CYS A 69 -3.318 -10.381 -7.579 1.00 0.00 C ATOM 856 C CYS A 69 -2.084 -11.275 -7.607 1.00 0.00 C ATOM 857 O CYS A 69 -1.966 -12.162 -8.453 1.00 0.00 O ATOM 858 CB CYS A 69 -4.355 -10.958 -6.614 1.00 0.00 C ATOM 859 SG CYS A 69 -4.061 -10.526 -4.871 1.00 0.00 S ATOM 0 H CYS A 69 -4.646 -10.883 -9.124 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.023 -9.391 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.344 -10.603 -6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.364 -12.043 -6.713 1.00 0.00 H new ATOM 864 N TYR A 70 -1.160 -11.031 -6.681 1.00 0.00 N ATOM 865 CA TYR A 70 0.073 -11.807 -6.608 1.00 0.00 C ATOM 866 C TYR A 70 0.172 -12.588 -5.298 1.00 0.00 C ATOM 867 O TYR A 70 1.069 -12.351 -4.488 1.00 0.00 O ATOM 868 CB TYR A 70 1.285 -10.883 -6.764 1.00 0.00 C ATOM 869 CG TYR A 70 1.828 -10.811 -8.178 1.00 0.00 C ATOM 870 CD1 TYR A 70 1.035 -11.139 -9.273 1.00 0.00 C ATOM 871 CD2 TYR A 70 3.139 -10.411 -8.417 1.00 0.00 C ATOM 872 CE1 TYR A 70 1.531 -11.072 -10.560 1.00 0.00 C ATOM 873 CE2 TYR A 70 3.641 -10.342 -9.703 1.00 0.00 C ATOM 874 CZ TYR A 70 2.833 -10.674 -10.770 1.00 0.00 C ATOM 875 OH TYR A 70 3.329 -10.606 -12.051 1.00 0.00 O ATOM 0 H TYR A 70 -1.242 -10.303 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 70 0.061 -12.529 -7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.008 -9.880 -6.441 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.078 -11.225 -6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.014 -11.452 -9.114 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.775 -10.150 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.901 -11.330 -11.398 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.661 -10.030 -9.871 1.00 0.00 H new ATOM 0 HH TYR A 70 4.262 -10.307 -12.025 1.00 0.00 H new ATOM 885 N LYS A 71 -0.745 -13.533 -5.104 1.00 0.00 N ATOM 886 CA LYS A 71 -0.753 -14.367 -3.903 1.00 0.00 C ATOM 887 C LYS A 71 -1.174 -13.575 -2.666 1.00 0.00 C ATOM 888 O LYS A 71 -0.335 -13.162 -1.867 1.00 0.00 O ATOM 889 CB LYS A 71 0.626 -14.997 -3.678 1.00 0.00 C ATOM 890 CG LYS A 71 0.634 -16.509 -3.837 1.00 0.00 C ATOM 891 CD LYS A 71 0.853 -17.212 -2.505 1.00 0.00 C ATOM 892 CE LYS A 71 -0.316 -16.990 -1.558 1.00 0.00 C ATOM 893 NZ LYS A 71 -1.574 -17.597 -2.074 1.00 0.00 N ATOM 0 H LYS A 71 -1.494 -13.741 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.487 -15.157 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.335 -14.562 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.974 -14.743 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.312 -16.835 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.420 -16.798 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.988 -18.280 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.770 -16.844 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.080 -17.418 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.464 -15.920 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.280 -17.635 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.942 -17.020 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.380 -18.560 -2.415 1.00 0.00 H new ATOM 907 N ALA A 72 -2.478 -13.383 -2.509 1.00 0.00 N ATOM 908 CA ALA A 72 -3.009 -12.660 -1.358 1.00 0.00 C ATOM 909 C ALA A 72 -3.576 -13.631 -0.327 1.00 0.00 C ATOM 910 O ALA A 72 -3.465 -14.848 -0.484 1.00 0.00 O ATOM 911 CB ALA A 72 -4.075 -11.668 -1.797 1.00 0.00 C ATOM 0 H ALA A 72 -3.187 -13.717 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.192 -12.107 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.460 -11.138 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.641 -10.952 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.890 -12.202 -2.286 1.00 0.00 H new ATOM 917 N THR A 73 -4.179 -13.094 0.728 1.00 0.00 N ATOM 918 CA THR A 73 -4.754 -13.929 1.779 1.00 0.00 C ATOM 919 C THR A 73 -6.228 -14.229 1.507 1.00 0.00 C ATOM 920 O THR A 73 -6.775 -15.203 2.025 1.00 0.00 O ATOM 921 CB THR A 73 -4.603 -13.256 3.147 1.00 0.00 C ATOM 922 OG1 THR A 73 -5.652 -12.333 3.374 1.00 0.00 O ATOM 923 CG2 THR A 73 -3.294 -12.514 3.312 1.00 0.00 C ATOM 0 H THR A 73 -4.283 -12.091 0.879 1.00 0.00 H new ATOM 0 HA THR A 73 -4.208 -14.872 1.784 1.00 0.00 H new ATOM 0 HB THR A 73 -4.632 -14.071 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.345 -11.428 3.156 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.254 -12.062 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.464 -13.211 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.220 -11.734 2.554 1.00 0.00 H new ATOM 931 N ALA A 74 -6.869 -13.391 0.698 1.00 0.00 N ATOM 932 CA ALA A 74 -8.279 -13.581 0.371 1.00 0.00 C ATOM 933 C ALA A 74 -8.528 -13.424 -1.124 1.00 0.00 C ATOM 934 O ALA A 74 -7.984 -12.523 -1.762 1.00 0.00 O ATOM 935 CB ALA A 74 -9.137 -12.603 1.159 1.00 0.00 C ATOM 0 H ALA A 74 -6.438 -12.578 0.259 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.556 -14.598 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.186 -12.754 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.993 -12.771 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.847 -11.582 0.910 1.00 0.00 H new ATOM 941 N CYS A 75 -9.352 -14.310 -1.680 1.00 0.00 N ATOM 942 CA CYS A 75 -9.669 -14.268 -3.103 1.00 0.00 C ATOM 943 C CYS A 75 -11.132 -14.622 -3.356 1.00 0.00 C ATOM 944 O CYS A 75 -11.500 -15.797 -3.367 1.00 0.00 O ATOM 945 CB CYS A 75 -8.778 -15.239 -3.882 1.00 0.00 C ATOM 946 SG CYS A 75 -7.055 -15.323 -3.295 1.00 0.00 S ATOM 0 H CYS A 75 -9.810 -15.063 -1.167 1.00 0.00 H new ATOM 0 HA CYS A 75 -9.488 -13.249 -3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.215 -16.236 -3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.777 -14.948 -4.932 1.00 0.00 H new ATOM 951 N THR A 76 -11.958 -13.606 -3.576 1.00 0.00 N ATOM 952 CA THR A 76 -13.372 -13.825 -3.850 1.00 0.00 C ATOM 953 C THR A 76 -13.683 -13.497 -5.306 1.00 0.00 C ATOM 954 O THR A 76 -14.317 -12.486 -5.606 1.00 0.00 O ATOM 955 CB THR A 76 -14.240 -12.978 -2.916 1.00 0.00 C ATOM 956 OG1 THR A 76 -15.614 -13.233 -3.142 1.00 0.00 O ATOM 957 CG2 THR A 76 -14.017 -11.492 -3.077 1.00 0.00 C ATOM 0 H THR A 76 -11.674 -12.626 -3.570 1.00 0.00 H new ATOM 0 HA THR A 76 -13.600 -14.876 -3.671 1.00 0.00 H new ATOM 0 HB THR A 76 -13.945 -13.266 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.153 -12.684 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.663 -10.950 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 76 -12.975 -11.255 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.252 -11.198 -4.100 1.00 0.00 H new ATOM 965 N ASN A 77 -13.219 -14.361 -6.208 1.00 0.00 N ATOM 966 CA ASN A 77 -13.425 -14.179 -7.644 1.00 0.00 C ATOM 967 C ASN A 77 -12.447 -13.146 -8.200 1.00 0.00 C ATOM 968 O ASN A 77 -12.846 -12.069 -8.642 1.00 0.00 O ATOM 969 CB ASN A 77 -14.868 -13.755 -7.941 1.00 0.00 C ATOM 970 CG ASN A 77 -15.882 -14.564 -7.155 1.00 0.00 C ATOM 971 OD1 ASN A 77 -15.529 -15.524 -6.467 1.00 0.00 O ATOM 972 ND2 ASN A 77 -17.150 -14.183 -7.254 1.00 0.00 N ATOM 0 H ASN A 77 -12.693 -15.201 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 77 -13.240 -15.135 -8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.989 -12.698 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.065 -13.868 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.876 -14.691 -6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.398 -13.382 -7.835 1.00 0.00 H new ATOM 979 N SER A 78 -11.162 -13.486 -8.169 1.00 0.00 N ATOM 980 CA SER A 78 -10.117 -12.594 -8.664 1.00 0.00 C ATOM 981 C SER A 78 -9.384 -13.221 -9.849 1.00 0.00 C ATOM 982 O SER A 78 -9.604 -14.387 -10.181 1.00 0.00 O ATOM 983 CB SER A 78 -9.128 -12.274 -7.540 1.00 0.00 C ATOM 984 OG SER A 78 -7.851 -11.936 -8.056 1.00 0.00 O ATOM 0 H SER A 78 -10.818 -14.375 -7.806 1.00 0.00 H new ATOM 0 HA SER A 78 -10.584 -11.669 -9.003 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.511 -11.448 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.038 -13.134 -6.876 1.00 0.00 H new ATOM 0 HG SER A 78 -7.716 -10.968 -7.986 1.00 0.00 H new ATOM 990 N SER A 79 -8.516 -12.440 -10.485 1.00 0.00 N ATOM 991 CA SER A 79 -7.755 -12.915 -11.636 1.00 0.00 C ATOM 992 C SER A 79 -6.399 -13.479 -11.221 1.00 0.00 C ATOM 993 O SER A 79 -6.001 -14.554 -11.672 1.00 0.00 O ATOM 994 CB SER A 79 -7.561 -11.783 -12.644 1.00 0.00 C ATOM 995 OG SER A 79 -6.486 -12.057 -13.527 1.00 0.00 O ATOM 0 H SER A 79 -8.322 -11.474 -10.222 1.00 0.00 H new ATOM 0 HA SER A 79 -8.326 -13.720 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.478 -11.642 -13.217 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.370 -10.850 -12.114 1.00 0.00 H new ATOM 0 HG SER A 79 -6.387 -11.316 -14.161 1.00 0.00 H new ATOM 1001 N GLY A 80 -5.688 -12.748 -10.368 1.00 0.00 N ATOM 1002 CA GLY A 80 -4.382 -13.199 -9.921 1.00 0.00 C ATOM 1003 C GLY A 80 -4.427 -13.897 -8.574 1.00 0.00 C ATOM 1004 O GLY A 80 -3.491 -14.604 -8.205 1.00 0.00 O ATOM 0 H GLY A 80 -5.991 -11.855 -9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.965 -13.879 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.709 -12.343 -9.859 1.00 0.00 H new ATOM 1008 N CYS A 81 -5.515 -13.694 -7.836 1.00 0.00 N ATOM 1009 CA CYS A 81 -5.673 -14.307 -6.521 1.00 0.00 C ATOM 1010 C CYS A 81 -6.225 -15.729 -6.640 1.00 0.00 C ATOM 1011 O CYS A 81 -7.314 -15.933 -7.176 1.00 0.00 O ATOM 1012 CB CYS A 81 -6.605 -13.459 -5.656 1.00 0.00 C ATOM 1013 SG CYS A 81 -6.253 -13.550 -3.870 1.00 0.00 S ATOM 0 H CYS A 81 -6.300 -13.110 -8.126 1.00 0.00 H new ATOM 0 HA CYS A 81 -4.691 -14.359 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.535 -12.420 -5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.633 -13.777 -5.829 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.481 -16.738 -6.142 1.00 0.00 N ATOM 1019 CA PRO A 82 -5.914 -18.139 -6.203 1.00 0.00 C ATOM 1020 C PRO A 82 -7.206 -18.381 -5.428 1.00 0.00 C ATOM 1021 O PRO A 82 -8.242 -18.694 -6.013 1.00 0.00 O ATOM 1022 CB PRO A 82 -4.755 -18.915 -5.563 1.00 0.00 C ATOM 1023 CG PRO A 82 -3.593 -17.981 -5.590 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.169 -16.598 -5.486 1.00 0.00 C ATOM 0 HA PRO A 82 -6.130 -18.446 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.997 -19.212 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.539 -19.828 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.911 -18.183 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.021 -18.097 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.268 -16.279 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.543 -15.861 -5.988 1.00 0.00 H new