USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=25 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 67 THR OG1 : rot 141:sc= -1.47 USER MOD Set 1.2: A 79 SER OG : rot 174:sc= -1.11 USER MOD Set 2.1: A 66 SER OG : rot -39:sc= -0.61 USER MOD Set 2.2: A 78 SER OG : rot 134:sc= 0.553 USER MOD Set 3.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 77 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.5) USER MOD Set 4.1: A 68 ASN : amide:sc= -3.63 K(o=-3.6,f=-4.9!) USER MOD Set 4.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 50 THR OG1 : rot 6:sc= -0.717 USER MOD Set 5.2: A 62 THR OG1 : rot 92:sc= 0.873 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -55:sc= 1.18 USER MOD Single : A 11 CYS SG : rot 9:sc= 1.09 USER MOD Single : A 12 THR OG1 : rot 36:sc= 1.21 USER MOD Single : A 16 THR OG1 : rot -65:sc= 1.16 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -4.04! C(o=-4!,f=-2.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.64 K(o=-2.6,f=-5.5!) USER MOD Single : A 30 SER OG : rot 93:sc= -0.806! USER MOD Single : A 31 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.042) USER MOD Single : A 32 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.074) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 146:sc= -2.15! USER MOD Single : A 43 THR OG1 : rot 133:sc= -1.6! USER MOD Single : A 46 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.013) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.18) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -167:sc= 2.18 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 41:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -5.151 15.017 -8.831 1.00 0.00 N ATOM 81 CA CYS A 8 -4.944 15.546 -7.486 1.00 0.00 C ATOM 82 C CYS A 8 -4.212 16.884 -7.546 1.00 0.00 C ATOM 83 O CYS A 8 -3.177 17.006 -8.200 1.00 0.00 O ATOM 84 CB CYS A 8 -4.161 14.541 -6.636 1.00 0.00 C ATOM 85 SG CYS A 8 -5.098 13.892 -5.213 1.00 0.00 S ATOM 0 HA CYS A 8 -5.917 15.709 -7.021 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.854 13.707 -7.267 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.251 15.018 -6.273 1.00 0.00 H new ATOM 90 N THR A 9 -4.764 17.888 -6.870 1.00 0.00 N ATOM 91 CA THR A 9 -4.170 19.222 -6.860 1.00 0.00 C ATOM 92 C THR A 9 -3.600 19.574 -5.489 1.00 0.00 C ATOM 93 O THR A 9 -4.341 19.777 -4.529 1.00 0.00 O ATOM 94 CB THR A 9 -5.213 20.264 -7.268 1.00 0.00 C ATOM 95 OG1 THR A 9 -4.704 21.575 -7.102 1.00 0.00 O ATOM 96 CG2 THR A 9 -6.498 20.165 -6.474 1.00 0.00 C ATOM 0 H THR A 9 -5.621 17.804 -6.323 1.00 0.00 H new ATOM 0 HA THR A 9 -3.349 19.224 -7.577 1.00 0.00 H new ATOM 0 HB THR A 9 -5.435 20.057 -8.315 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.385 22.227 -7.370 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.195 20.932 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.942 19.180 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.284 20.312 -5.415 1.00 0.00 H new ATOM 104 N SER A 10 -2.275 19.657 -5.412 1.00 0.00 N ATOM 105 CA SER A 10 -1.597 19.997 -4.165 1.00 0.00 C ATOM 106 C SER A 10 -1.943 19.005 -3.058 1.00 0.00 C ATOM 107 O SER A 10 -2.020 19.375 -1.886 1.00 0.00 O ATOM 108 CB SER A 10 -1.973 21.414 -3.730 1.00 0.00 C ATOM 109 OG SER A 10 -1.348 21.755 -2.504 1.00 0.00 O ATOM 0 H SER A 10 -1.648 19.493 -6.200 1.00 0.00 H new ATOM 0 HA SER A 10 -0.523 19.947 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.678 22.125 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.055 21.490 -3.623 1.00 0.00 H new ATOM 0 HG SER A 10 -1.573 21.085 -1.825 1.00 0.00 H new ATOM 115 N CYS A 11 -2.147 17.747 -3.433 1.00 0.00 N ATOM 116 CA CYS A 11 -2.481 16.709 -2.463 1.00 0.00 C ATOM 117 C CYS A 11 -1.384 15.652 -2.399 1.00 0.00 C ATOM 118 O CYS A 11 -1.196 14.880 -3.339 1.00 0.00 O ATOM 119 CB CYS A 11 -3.813 16.047 -2.821 1.00 0.00 C ATOM 120 SG CYS A 11 -5.091 17.201 -3.419 1.00 0.00 S ATOM 0 H CYS A 11 -2.087 17.421 -4.398 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.570 17.182 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.635 15.292 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.194 15.526 -1.942 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.563 18.374 -3.608 1.00 0.00 H new ATOM 125 N THR A 12 -0.665 15.619 -1.281 1.00 0.00 N ATOM 126 CA THR A 12 0.409 14.653 -1.091 1.00 0.00 C ATOM 127 C THR A 12 0.127 13.766 0.115 1.00 0.00 C ATOM 128 O THR A 12 0.559 12.614 0.168 1.00 0.00 O ATOM 129 CB THR A 12 1.746 15.372 -0.908 1.00 0.00 C ATOM 130 OG1 THR A 12 2.804 14.438 -0.779 1.00 0.00 O ATOM 131 CG2 THR A 12 1.778 16.273 0.306 1.00 0.00 C ATOM 0 H THR A 12 -0.808 16.251 -0.493 1.00 0.00 H new ATOM 0 HA THR A 12 0.464 14.025 -1.981 1.00 0.00 H new ATOM 0 HB THR A 12 1.869 15.987 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.629 13.664 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.754 16.753 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.005 17.036 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.598 15.681 1.203 1.00 0.00 H new ATOM 139 N GLY A 13 -0.602 14.311 1.086 1.00 0.00 N ATOM 140 CA GLY A 13 -0.929 13.557 2.278 1.00 0.00 C ATOM 141 C GLY A 13 -1.642 12.257 1.965 1.00 0.00 C ATOM 142 O GLY A 13 -1.004 11.219 1.787 1.00 0.00 O ATOM 0 H GLY A 13 -0.971 15.262 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.014 13.342 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.558 14.165 2.928 1.00 0.00 H new ATOM 146 N ALA A 14 -2.967 12.313 1.896 1.00 0.00 N ATOM 147 CA ALA A 14 -3.768 11.132 1.597 1.00 0.00 C ATOM 148 C ALA A 14 -4.856 11.453 0.577 1.00 0.00 C ATOM 149 O ALA A 14 -5.682 12.338 0.798 1.00 0.00 O ATOM 150 CB ALA A 14 -4.384 10.578 2.874 1.00 0.00 C ATOM 0 H ALA A 14 -3.510 13.164 2.043 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.113 10.376 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.980 9.696 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.592 10.305 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.022 11.336 3.329 1.00 0.00 H new ATOM 156 N CYS A 15 -4.858 10.730 -0.540 1.00 0.00 N ATOM 157 CA CYS A 15 -5.854 10.951 -1.584 1.00 0.00 C ATOM 158 C CYS A 15 -7.123 10.156 -1.299 1.00 0.00 C ATOM 159 O CYS A 15 -7.086 8.934 -1.186 1.00 0.00 O ATOM 160 CB CYS A 15 -5.308 10.556 -2.958 1.00 0.00 C ATOM 161 SG CYS A 15 -3.563 10.998 -3.234 1.00 0.00 S ATOM 0 H CYS A 15 -4.186 9.991 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.090 12.015 -1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.421 9.479 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.916 11.032 -3.727 1.00 0.00 H new ATOM 166 N THR A 16 -8.247 10.859 -1.194 1.00 0.00 N ATOM 167 CA THR A 16 -9.528 10.215 -0.929 1.00 0.00 C ATOM 168 C THR A 16 -10.328 10.059 -2.219 1.00 0.00 C ATOM 169 O THR A 16 -11.470 10.511 -2.315 1.00 0.00 O ATOM 170 CB THR A 16 -10.326 11.023 0.096 1.00 0.00 C ATOM 171 OG1 THR A 16 -11.672 10.580 0.148 1.00 0.00 O ATOM 172 CG2 THR A 16 -10.343 12.509 -0.193 1.00 0.00 C ATOM 0 H THR A 16 -8.296 11.873 -1.288 1.00 0.00 H new ATOM 0 HA THR A 16 -9.337 9.223 -0.521 1.00 0.00 H new ATOM 0 HB THR A 16 -9.819 10.860 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.112 10.769 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.926 13.022 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.323 12.892 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.793 12.684 -1.170 1.00 0.00 H new ATOM 180 N GLY A 17 -9.717 9.418 -3.212 1.00 0.00 N ATOM 181 CA GLY A 17 -10.383 9.215 -4.485 1.00 0.00 C ATOM 182 C GLY A 17 -10.268 10.423 -5.395 1.00 0.00 C ATOM 183 O GLY A 17 -11.269 11.065 -5.715 1.00 0.00 O ATOM 0 H GLY A 17 -8.773 9.036 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.953 8.346 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.436 8.994 -4.310 1.00 0.00 H new ATOM 187 N CYS A 18 -9.045 10.735 -5.811 1.00 0.00 N ATOM 188 CA CYS A 18 -8.806 11.878 -6.688 1.00 0.00 C ATOM 189 C CYS A 18 -8.255 11.430 -8.038 1.00 0.00 C ATOM 190 O CYS A 18 -8.656 11.941 -9.083 1.00 0.00 O ATOM 191 CB CYS A 18 -7.837 12.864 -6.027 1.00 0.00 C ATOM 192 SG CYS A 18 -6.103 12.303 -5.977 1.00 0.00 S ATOM 0 H CYS A 18 -8.205 10.215 -5.556 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.761 12.376 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.883 13.813 -6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.173 13.056 -5.008 1.00 0.00 H new ATOM 197 N GLY A 19 -7.330 10.475 -8.008 1.00 0.00 N ATOM 198 CA GLY A 19 -6.737 9.981 -9.234 1.00 0.00 C ATOM 199 C GLY A 19 -5.250 9.720 -9.099 1.00 0.00 C ATOM 200 O GLY A 19 -4.764 8.663 -9.495 1.00 0.00 O ATOM 0 H GLY A 19 -6.982 10.036 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.238 9.060 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.904 10.705 -10.031 1.00 0.00 H new ATOM 204 N ASN A 20 -4.524 10.686 -8.543 1.00 0.00 N ATOM 205 CA ASN A 20 -3.081 10.549 -8.364 1.00 0.00 C ATOM 206 C ASN A 20 -2.676 10.785 -6.911 1.00 0.00 C ATOM 207 O ASN A 20 -3.282 11.593 -6.208 1.00 0.00 O ATOM 208 CB ASN A 20 -2.340 11.529 -9.276 1.00 0.00 C ATOM 209 CG ASN A 20 -2.726 11.366 -10.734 1.00 0.00 C ATOM 210 OD1 ASN A 20 -2.369 10.378 -11.375 1.00 0.00 O ATOM 211 ND2 ASN A 20 -3.457 12.339 -11.264 1.00 0.00 N ATOM 0 H ASN A 20 -4.909 11.570 -8.209 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.807 9.528 -8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.554 12.550 -8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.266 11.380 -9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.746 12.286 -12.241 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.730 13.140 -10.694 1.00 0.00 H new ATOM 218 N CYS A 21 -1.644 10.071 -6.473 1.00 0.00 N ATOM 219 CA CYS A 21 -1.143 10.194 -5.106 1.00 0.00 C ATOM 220 C CYS A 21 0.375 10.365 -5.113 1.00 0.00 C ATOM 221 O CYS A 21 1.111 9.404 -5.330 1.00 0.00 O ATOM 222 CB CYS A 21 -1.528 8.954 -4.291 1.00 0.00 C ATOM 223 SG CYS A 21 -2.562 9.279 -2.819 1.00 0.00 S ATOM 0 H CYS A 21 -1.136 9.398 -7.047 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.593 11.074 -4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.060 8.261 -4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.615 8.452 -3.970 1.00 0.00 H new ATOM 228 N PRO A 22 0.866 11.597 -4.891 1.00 0.00 N ATOM 229 CA PRO A 22 2.292 11.885 -4.892 1.00 0.00 C ATOM 230 C PRO A 22 2.946 11.749 -3.523 1.00 0.00 C ATOM 231 O PRO A 22 2.831 12.632 -2.673 1.00 0.00 O ATOM 232 CB PRO A 22 2.343 13.335 -5.360 1.00 0.00 C ATOM 233 CG PRO A 22 1.031 13.941 -4.957 1.00 0.00 C ATOM 234 CD PRO A 22 0.074 12.811 -4.643 1.00 0.00 C ATOM 0 HA PRO A 22 2.840 11.182 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.177 13.865 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.485 13.393 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.159 14.585 -4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.636 14.564 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.274 12.857 -3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.810 12.848 -5.279 1.00 0.00 H new ATOM 242 N ASN A 23 3.656 10.646 -3.332 1.00 0.00 N ATOM 243 CA ASN A 23 4.368 10.389 -2.083 1.00 0.00 C ATOM 244 C ASN A 23 3.395 10.233 -0.925 1.00 0.00 C ATOM 245 O ASN A 23 3.740 10.480 0.231 1.00 0.00 O ATOM 246 CB ASN A 23 5.368 11.516 -1.773 1.00 0.00 C ATOM 247 CG ASN A 23 5.820 12.302 -3.000 1.00 0.00 C ATOM 248 OD1 ASN A 23 6.199 13.468 -2.888 1.00 0.00 O ATOM 249 ND2 ASN A 23 5.786 11.678 -4.174 1.00 0.00 N ATOM 0 H ASN A 23 3.756 9.909 -4.030 1.00 0.00 H new ATOM 0 HA ASN A 23 4.920 9.457 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.914 12.205 -1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.244 11.087 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.080 12.166 -5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.466 10.711 -4.229 1.00 0.00 H new ATOM 256 N ALA A 24 2.179 9.818 -1.244 1.00 0.00 N ATOM 257 CA ALA A 24 1.151 9.623 -0.230 1.00 0.00 C ATOM 258 C ALA A 24 1.307 8.267 0.451 1.00 0.00 C ATOM 259 O ALA A 24 1.766 7.303 -0.163 1.00 0.00 O ATOM 260 CB ALA A 24 -0.232 9.756 -0.848 1.00 0.00 C ATOM 0 H ALA A 24 1.879 9.609 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 24 1.269 10.396 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.990 9.608 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.343 10.750 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.356 9.005 -1.628 1.00 0.00 H new ATOM 266 N VAL A 25 0.930 8.200 1.724 1.00 0.00 N ATOM 267 CA VAL A 25 1.035 6.963 2.488 1.00 0.00 C ATOM 268 C VAL A 25 -0.176 6.064 2.259 1.00 0.00 C ATOM 269 O VAL A 25 -0.048 4.842 2.189 1.00 0.00 O ATOM 270 CB VAL A 25 1.178 7.244 3.997 1.00 0.00 C ATOM 271 CG1 VAL A 25 -0.051 7.969 4.528 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.416 5.950 4.763 1.00 0.00 C ATOM 0 H VAL A 25 0.549 8.988 2.248 1.00 0.00 H new ATOM 0 HA VAL A 25 1.931 6.452 2.135 1.00 0.00 H new ATOM 0 HB VAL A 25 2.043 7.891 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.070 8.158 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.169 8.917 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.935 7.352 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.514 6.169 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.574 5.275 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.330 5.478 4.404 1.00 0.00 H new ATOM 282 N THR A 26 -1.351 6.673 2.145 1.00 0.00 N ATOM 283 CA THR A 26 -2.580 5.920 1.928 1.00 0.00 C ATOM 284 C THR A 26 -3.629 6.777 1.231 1.00 0.00 C ATOM 285 O THR A 26 -3.654 7.997 1.386 1.00 0.00 O ATOM 286 CB THR A 26 -3.128 5.409 3.261 1.00 0.00 C ATOM 287 OG1 THR A 26 -2.097 5.320 4.227 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.779 4.046 3.159 1.00 0.00 C ATOM 0 H THR A 26 -1.478 7.684 2.199 1.00 0.00 H new ATOM 0 HA THR A 26 -2.348 5.070 1.286 1.00 0.00 H new ATOM 0 HB THR A 26 -3.886 6.135 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.469 4.993 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.146 3.744 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.613 4.092 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.048 3.319 2.805 1.00 0.00 H new ATOM 296 N CYS A 27 -4.495 6.129 0.460 1.00 0.00 N ATOM 297 CA CYS A 27 -5.550 6.831 -0.263 1.00 0.00 C ATOM 298 C CYS A 27 -6.874 6.082 -0.157 1.00 0.00 C ATOM 299 O CYS A 27 -6.904 4.852 -0.124 1.00 0.00 O ATOM 300 CB CYS A 27 -5.185 7.008 -1.747 1.00 0.00 C ATOM 301 SG CYS A 27 -3.792 5.981 -2.321 1.00 0.00 S ATOM 0 H CYS A 27 -4.488 5.119 0.319 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.656 7.814 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.062 6.777 -2.352 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.943 8.056 -1.924 1.00 0.00 H new ATOM 306 N THR A 28 -7.967 6.834 -0.138 1.00 0.00 N ATOM 307 CA THR A 28 -9.295 6.250 -0.073 1.00 0.00 C ATOM 308 C THR A 28 -9.868 6.187 -1.481 1.00 0.00 C ATOM 309 O THR A 28 -10.434 7.163 -1.974 1.00 0.00 O ATOM 310 CB THR A 28 -10.206 7.074 0.838 1.00 0.00 C ATOM 311 OG1 THR A 28 -9.484 7.572 1.950 1.00 0.00 O ATOM 312 CG2 THR A 28 -11.387 6.292 1.370 1.00 0.00 C ATOM 0 H THR A 28 -7.957 7.854 -0.167 1.00 0.00 H new ATOM 0 HA THR A 28 -9.230 5.245 0.345 1.00 0.00 H new ATOM 0 HB THR A 28 -10.581 7.886 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.083 8.098 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.992 6.936 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.993 5.936 0.537 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.029 5.440 1.948 1.00 0.00 H new ATOM 320 N ASN A 29 -9.674 5.045 -2.135 1.00 0.00 N ATOM 321 CA ASN A 29 -10.114 4.837 -3.492 1.00 0.00 C ATOM 322 C ASN A 29 -9.090 5.452 -4.442 1.00 0.00 C ATOM 323 O ASN A 29 -7.886 5.360 -4.210 1.00 0.00 O ATOM 324 CB ASN A 29 -11.515 5.430 -3.712 1.00 0.00 C ATOM 325 CG ASN A 29 -12.474 5.081 -2.590 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.945 3.948 -2.491 1.00 0.00 O ATOM 327 ND2 ASN A 29 -12.766 6.055 -1.736 1.00 0.00 N ATOM 0 H ASN A 29 -9.203 4.238 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.188 3.768 -3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.438 6.514 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.917 5.064 -4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.404 5.879 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.352 6.980 -1.856 1.00 0.00 H new ATOM 334 N SER A 30 -9.578 6.067 -5.498 1.00 0.00 N ATOM 335 CA SER A 30 -8.728 6.704 -6.511 1.00 0.00 C ATOM 336 C SER A 30 -8.235 5.670 -7.521 1.00 0.00 C ATOM 337 O SER A 30 -8.675 4.522 -7.504 1.00 0.00 O ATOM 338 CB SER A 30 -7.532 7.414 -5.853 1.00 0.00 C ATOM 339 OG SER A 30 -7.835 7.807 -4.524 1.00 0.00 O ATOM 0 H SER A 30 -10.577 6.146 -5.689 1.00 0.00 H new ATOM 0 HA SER A 30 -9.326 7.450 -7.035 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.668 6.749 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.258 8.290 -6.440 1.00 0.00 H new ATOM 0 HG SER A 30 -7.556 7.102 -3.903 1.00 0.00 H new ATOM 345 N GLN A 31 -7.345 6.082 -8.418 1.00 0.00 N ATOM 346 CA GLN A 31 -6.833 5.173 -9.439 1.00 0.00 C ATOM 347 C GLN A 31 -5.339 5.374 -9.689 1.00 0.00 C ATOM 348 O GLN A 31 -4.917 5.577 -10.828 1.00 0.00 O ATOM 349 CB GLN A 31 -7.607 5.358 -10.745 1.00 0.00 C ATOM 350 CG GLN A 31 -7.507 4.165 -11.682 1.00 0.00 C ATOM 351 CD GLN A 31 -8.635 4.121 -12.695 1.00 0.00 C ATOM 352 OE1 GLN A 31 -8.399 4.043 -13.899 1.00 0.00 O ATOM 353 NE2 GLN A 31 -9.869 4.172 -12.208 1.00 0.00 N ATOM 0 H GLN A 31 -6.966 7.028 -8.460 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.973 4.157 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.656 5.542 -10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.234 6.245 -11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.553 4.200 -12.208 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.514 3.246 -11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.018 4.236 -11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.668 4.147 -12.841 1.00 0.00 H new ATOM 362 N HIS A 32 -4.543 5.303 -8.628 1.00 0.00 N ATOM 363 CA HIS A 32 -3.098 5.466 -8.753 1.00 0.00 C ATOM 364 C HIS A 32 -2.405 5.325 -7.403 1.00 0.00 C ATOM 365 O HIS A 32 -1.484 6.079 -7.086 1.00 0.00 O ATOM 366 CB HIS A 32 -2.755 6.820 -9.376 1.00 0.00 C ATOM 367 CG HIS A 32 -1.391 6.866 -9.994 1.00 0.00 C ATOM 368 ND1 HIS A 32 -0.350 7.603 -9.470 1.00 0.00 N ATOM 369 CD2 HIS A 32 -0.899 6.258 -11.099 1.00 0.00 C ATOM 370 CE1 HIS A 32 0.722 7.448 -10.227 1.00 0.00 C ATOM 371 NE2 HIS A 32 0.415 6.636 -11.221 1.00 0.00 N ATOM 0 H HIS A 32 -4.870 5.135 -7.677 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.736 4.674 -9.409 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.498 7.059 -10.137 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.824 7.592 -8.609 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.440 5.598 -11.761 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.685 7.907 -10.061 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.051 6.338 -11.960 1.00 0.00 H new ATOM 380 N CYS A 33 -2.842 4.350 -6.612 1.00 0.00 N ATOM 381 CA CYS A 33 -2.248 4.112 -5.304 1.00 0.00 C ATOM 382 C CYS A 33 -1.190 3.016 -5.394 1.00 0.00 C ATOM 383 O CYS A 33 -1.103 2.145 -4.528 1.00 0.00 O ATOM 384 CB CYS A 33 -3.327 3.720 -4.292 1.00 0.00 C ATOM 385 SG CYS A 33 -4.540 5.037 -3.956 1.00 0.00 S ATOM 0 H CYS A 33 -3.603 3.715 -6.854 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.771 5.033 -4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.854 2.840 -4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.847 3.435 -3.356 1.00 0.00 H new ATOM 390 N VAL A 34 -0.390 3.068 -6.455 1.00 0.00 N ATOM 391 CA VAL A 34 0.664 2.085 -6.677 1.00 0.00 C ATOM 392 C VAL A 34 1.662 2.072 -5.526 1.00 0.00 C ATOM 393 O VAL A 34 2.125 1.013 -5.102 1.00 0.00 O ATOM 394 CB VAL A 34 1.424 2.364 -7.989 1.00 0.00 C ATOM 395 CG1 VAL A 34 2.182 3.684 -7.905 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.372 1.218 -8.308 1.00 0.00 C ATOM 0 H VAL A 34 -0.453 3.785 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 34 0.176 1.113 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 34 0.696 2.443 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.711 3.860 -8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.478 4.497 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.900 3.640 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.901 1.431 -9.237 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.093 1.106 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.803 0.295 -8.418 1.00 0.00 H new ATOM 406 N LYS A 35 1.995 3.257 -5.035 1.00 0.00 N ATOM 407 CA LYS A 35 2.950 3.390 -3.945 1.00 0.00 C ATOM 408 C LYS A 35 2.241 3.693 -2.627 1.00 0.00 C ATOM 409 O LYS A 35 2.736 4.464 -1.806 1.00 0.00 O ATOM 410 CB LYS A 35 3.965 4.490 -4.274 1.00 0.00 C ATOM 411 CG LYS A 35 3.418 5.903 -4.116 1.00 0.00 C ATOM 412 CD LYS A 35 3.563 6.707 -5.398 1.00 0.00 C ATOM 413 CE LYS A 35 5.024 6.897 -5.775 1.00 0.00 C ATOM 414 NZ LYS A 35 5.211 6.971 -7.251 1.00 0.00 N ATOM 0 H LYS A 35 1.617 4.141 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 35 3.476 2.443 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.835 4.373 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.310 4.357 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.367 5.857 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.945 6.409 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.040 6.199 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.089 7.681 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.402 7.810 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.613 6.071 -5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.220 7.101 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.874 6.090 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.670 7.774 -7.630 1.00 0.00 H new ATOM 428 N ALA A 36 1.080 3.078 -2.436 1.00 0.00 N ATOM 429 CA ALA A 36 0.298 3.277 -1.221 1.00 0.00 C ATOM 430 C ALA A 36 0.299 2.017 -0.360 1.00 0.00 C ATOM 431 O ALA A 36 0.212 0.903 -0.876 1.00 0.00 O ATOM 432 CB ALA A 36 -1.126 3.678 -1.574 1.00 0.00 C ATOM 0 H ALA A 36 0.659 2.436 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 36 0.757 4.080 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.700 3.824 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.112 4.606 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.588 2.892 -2.171 1.00 0.00 H new ATOM 438 N ASN A 37 0.395 2.200 0.954 1.00 0.00 N ATOM 439 CA ASN A 37 0.405 1.073 1.882 1.00 0.00 C ATOM 440 C ASN A 37 -0.895 0.281 1.785 1.00 0.00 C ATOM 441 O ASN A 37 -0.900 -0.944 1.902 1.00 0.00 O ATOM 442 CB ASN A 37 0.611 1.564 3.317 1.00 0.00 C ATOM 443 CG ASN A 37 2.075 1.770 3.654 1.00 0.00 C ATOM 444 OD1 ASN A 37 2.584 1.211 4.625 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.759 2.577 2.851 1.00 0.00 N ATOM 0 H ASN A 37 0.467 3.115 1.399 1.00 0.00 H new ATOM 0 HA ASN A 37 1.233 0.418 1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.073 2.502 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.180 0.842 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.748 2.755 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.296 3.019 2.057 1.00 0.00 H new ATOM 452 N THR A 38 -1.997 0.992 1.567 1.00 0.00 N ATOM 453 CA THR A 38 -3.306 0.360 1.449 1.00 0.00 C ATOM 454 C THR A 38 -4.208 1.169 0.525 1.00 0.00 C ATOM 455 O THR A 38 -4.110 2.395 0.467 1.00 0.00 O ATOM 456 CB THR A 38 -3.958 0.223 2.826 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.997 -0.132 3.804 1.00 0.00 O ATOM 458 CG2 THR A 38 -5.058 -0.816 2.864 1.00 0.00 C ATOM 0 H THR A 38 -2.009 2.007 1.468 1.00 0.00 H new ATOM 0 HA THR A 38 -3.169 -0.634 1.023 1.00 0.00 H new ATOM 0 HB THR A 38 -4.393 1.199 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.434 -0.213 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.479 -0.864 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.840 -0.544 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.648 -1.790 2.596 1.00 0.00 H new ATOM 466 N CYS A 39 -5.085 0.481 -0.198 1.00 0.00 N ATOM 467 CA CYS A 39 -5.996 1.151 -1.117 1.00 0.00 C ATOM 468 C CYS A 39 -7.371 0.490 -1.121 1.00 0.00 C ATOM 469 O CYS A 39 -7.516 -0.665 -1.522 1.00 0.00 O ATOM 470 CB CYS A 39 -5.419 1.167 -2.536 1.00 0.00 C ATOM 471 SG CYS A 39 -4.506 -0.338 -3.011 1.00 0.00 S ATOM 0 H CYS A 39 -5.184 -0.534 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.113 2.178 -0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.235 1.317 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.752 2.024 -2.632 1.00 0.00 H new ATOM 476 N THR A 40 -8.377 1.239 -0.681 1.00 0.00 N ATOM 477 CA THR A 40 -9.749 0.743 -0.640 1.00 0.00 C ATOM 478 C THR A 40 -10.577 1.392 -1.745 1.00 0.00 C ATOM 479 O THR A 40 -10.665 2.617 -1.822 1.00 0.00 O ATOM 480 CB THR A 40 -10.375 1.034 0.726 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.392 1.000 1.746 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.465 0.056 1.107 1.00 0.00 C ATOM 0 H THR A 40 -8.267 2.196 -0.346 1.00 0.00 H new ATOM 0 HA THR A 40 -9.736 -0.335 -0.798 1.00 0.00 H new ATOM 0 HB THR A 40 -10.816 2.027 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.811 1.190 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.865 0.320 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.264 0.094 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.053 -0.952 1.144 1.00 0.00 H new ATOM 490 N GLY A 41 -11.168 0.570 -2.607 1.00 0.00 N ATOM 491 CA GLY A 41 -11.960 1.102 -3.702 1.00 0.00 C ATOM 492 C GLY A 41 -11.116 1.915 -4.646 1.00 0.00 C ATOM 493 O GLY A 41 -11.526 2.985 -5.094 1.00 0.00 O ATOM 0 H GLY A 41 -11.114 -0.448 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.429 0.282 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.764 1.722 -3.304 1.00 0.00 H new ATOM 497 N SER A 42 -9.937 1.409 -4.949 1.00 0.00 N ATOM 498 CA SER A 42 -9.024 2.088 -5.838 1.00 0.00 C ATOM 499 C SER A 42 -8.435 1.063 -6.777 1.00 0.00 C ATOM 500 O SER A 42 -8.926 -0.052 -6.844 1.00 0.00 O ATOM 501 CB SER A 42 -7.897 2.756 -5.046 1.00 0.00 C ATOM 502 OG SER A 42 -7.258 3.762 -5.810 1.00 0.00 O ATOM 0 H SER A 42 -9.589 0.521 -4.587 1.00 0.00 H new ATOM 0 HA SER A 42 -9.559 2.860 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.301 3.192 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.166 2.005 -4.745 1.00 0.00 H new ATOM 0 HG SER A 42 -6.973 4.490 -5.219 1.00 0.00 H new ATOM 508 N THR A 43 -7.371 1.414 -7.473 1.00 0.00 N ATOM 509 CA THR A 43 -6.735 0.460 -8.363 1.00 0.00 C ATOM 510 C THR A 43 -5.211 0.606 -8.297 1.00 0.00 C ATOM 511 O THR A 43 -4.672 0.836 -7.215 1.00 0.00 O ATOM 512 CB THR A 43 -7.297 0.610 -9.782 1.00 0.00 C ATOM 513 OG1 THR A 43 -6.425 1.353 -10.615 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.657 1.284 -9.824 1.00 0.00 C ATOM 0 H THR A 43 -6.934 2.335 -7.442 1.00 0.00 H new ATOM 0 HA THR A 43 -6.962 -0.556 -8.041 1.00 0.00 H new ATOM 0 HB THR A 43 -7.399 -0.413 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.314 0.888 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.995 1.358 -10.858 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.372 0.696 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.581 2.283 -9.395 1.00 0.00 H new ATOM 522 N ASP A 44 -4.518 0.481 -9.436 1.00 0.00 N ATOM 523 CA ASP A 44 -3.051 0.602 -9.480 1.00 0.00 C ATOM 524 C ASP A 44 -2.422 0.476 -8.088 1.00 0.00 C ATOM 525 O ASP A 44 -2.164 1.478 -7.423 1.00 0.00 O ATOM 526 CB ASP A 44 -2.654 1.939 -10.108 1.00 0.00 C ATOM 527 CG ASP A 44 -2.642 1.884 -11.623 1.00 0.00 C ATOM 528 OD1 ASP A 44 -2.525 0.771 -12.177 1.00 0.00 O ATOM 529 OD2 ASP A 44 -2.750 2.956 -12.256 1.00 0.00 O ATOM 0 H ASP A 44 -4.948 0.296 -10.342 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.674 -0.219 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.349 2.712 -9.781 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.666 2.227 -9.750 1.00 0.00 H new ATOM 534 N CYS A 45 -2.195 -0.760 -7.652 1.00 0.00 N ATOM 535 CA CYS A 45 -1.612 -1.019 -6.337 1.00 0.00 C ATOM 536 C CYS A 45 -0.659 -2.206 -6.379 1.00 0.00 C ATOM 537 O CYS A 45 -1.080 -3.349 -6.561 1.00 0.00 O ATOM 538 CB CYS A 45 -2.719 -1.272 -5.309 1.00 0.00 C ATOM 539 SG CYS A 45 -3.462 0.256 -4.648 1.00 0.00 S ATOM 0 H CYS A 45 -2.406 -1.600 -8.191 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.042 -0.137 -6.043 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.500 -1.876 -5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.311 -1.855 -4.483 1.00 0.00 H new ATOM 544 N ASN A 46 0.627 -1.926 -6.205 1.00 0.00 N ATOM 545 CA ASN A 46 1.646 -2.967 -6.218 1.00 0.00 C ATOM 546 C ASN A 46 2.255 -3.138 -4.830 1.00 0.00 C ATOM 547 O ASN A 46 2.568 -4.254 -4.413 1.00 0.00 O ATOM 548 CB ASN A 46 2.740 -2.634 -7.232 1.00 0.00 C ATOM 549 CG ASN A 46 3.626 -3.826 -7.538 1.00 0.00 C ATOM 550 OD1 ASN A 46 3.496 -4.457 -8.588 1.00 0.00 O ATOM 551 ND2 ASN A 46 4.531 -4.143 -6.620 1.00 0.00 N ATOM 0 H ASN A 46 0.989 -0.985 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 46 1.171 -3.904 -6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.281 -2.280 -8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.352 -1.819 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.153 -4.937 -6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.604 -3.593 -5.764 1.00 0.00 H new ATOM 558 N THR A 47 2.420 -2.026 -4.120 1.00 0.00 N ATOM 559 CA THR A 47 2.991 -2.058 -2.779 1.00 0.00 C ATOM 560 C THR A 47 1.911 -2.320 -1.730 1.00 0.00 C ATOM 561 O THR A 47 2.200 -2.832 -0.648 1.00 0.00 O ATOM 562 CB THR A 47 3.712 -0.742 -2.475 1.00 0.00 C ATOM 563 OG1 THR A 47 4.554 -0.881 -1.345 1.00 0.00 O ATOM 564 CG2 THR A 47 2.772 0.416 -2.204 1.00 0.00 C ATOM 0 H THR A 47 2.167 -1.095 -4.450 1.00 0.00 H new ATOM 0 HA THR A 47 3.712 -2.874 -2.739 1.00 0.00 H new ATOM 0 HB THR A 47 4.286 -0.518 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.007 -0.030 -1.168 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.352 1.315 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.141 0.585 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.145 0.182 -1.343 1.00 0.00 H new ATOM 572 N ALA A 48 0.670 -1.964 -2.054 1.00 0.00 N ATOM 573 CA ALA A 48 -0.445 -2.162 -1.132 1.00 0.00 C ATOM 574 C ALA A 48 -0.527 -3.611 -0.659 1.00 0.00 C ATOM 575 O ALA A 48 -0.481 -4.542 -1.464 1.00 0.00 O ATOM 576 CB ALA A 48 -1.751 -1.746 -1.791 1.00 0.00 C ATOM 0 H ALA A 48 0.412 -1.539 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.272 -1.536 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.575 -1.898 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.700 -0.693 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.916 -2.348 -2.684 1.00 0.00 H new ATOM 582 N GLN A 49 -0.648 -3.795 0.653 1.00 0.00 N ATOM 583 CA GLN A 49 -0.738 -5.132 1.236 1.00 0.00 C ATOM 584 C GLN A 49 -2.178 -5.642 1.245 1.00 0.00 C ATOM 585 O GLN A 49 -2.447 -6.754 1.696 1.00 0.00 O ATOM 586 CB GLN A 49 -0.180 -5.127 2.660 1.00 0.00 C ATOM 587 CG GLN A 49 1.139 -4.383 2.795 1.00 0.00 C ATOM 588 CD GLN A 49 1.105 -3.325 3.880 1.00 0.00 C ATOM 589 OE1 GLN A 49 2.018 -3.231 4.701 1.00 0.00 O ATOM 590 NE2 GLN A 49 0.048 -2.522 3.890 1.00 0.00 N ATOM 0 H GLN A 49 -0.686 -3.036 1.333 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.144 -5.804 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.913 -4.673 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.042 -6.156 2.991 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.933 -5.097 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.386 -3.913 1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.685 -2.636 3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.031 -1.791 4.597 1.00 0.00 H new ATOM 599 N THR A 50 -3.101 -4.827 0.742 1.00 0.00 N ATOM 600 CA THR A 50 -4.507 -5.203 0.692 1.00 0.00 C ATOM 601 C THR A 50 -5.315 -4.141 -0.049 1.00 0.00 C ATOM 602 O THR A 50 -4.848 -3.017 -0.238 1.00 0.00 O ATOM 603 CB THR A 50 -5.050 -5.412 2.110 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.189 -6.254 2.092 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.441 -4.128 2.809 1.00 0.00 C ATOM 0 H THR A 50 -2.898 -3.902 0.363 1.00 0.00 H new ATOM 0 HA THR A 50 -4.601 -6.142 0.147 1.00 0.00 H new ATOM 0 HB THR A 50 -4.227 -5.866 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.330 -6.594 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.816 -4.356 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.570 -3.477 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.219 -3.624 2.236 1.00 0.00 H new ATOM 613 N CYS A 51 -6.521 -4.500 -0.473 1.00 0.00 N ATOM 614 CA CYS A 51 -7.375 -3.567 -1.202 1.00 0.00 C ATOM 615 C CYS A 51 -8.734 -4.188 -1.518 1.00 0.00 C ATOM 616 O CYS A 51 -8.971 -5.365 -1.248 1.00 0.00 O ATOM 617 CB CYS A 51 -6.690 -3.137 -2.504 1.00 0.00 C ATOM 618 SG CYS A 51 -6.546 -4.472 -3.738 1.00 0.00 S ATOM 0 H CYS A 51 -6.928 -5.424 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.537 -2.696 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.249 -2.310 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.694 -2.761 -2.272 1.00 0.00 H new ATOM 623 N THR A 52 -9.616 -3.383 -2.102 1.00 0.00 N ATOM 624 CA THR A 52 -10.950 -3.839 -2.472 1.00 0.00 C ATOM 625 C THR A 52 -11.463 -3.060 -3.681 1.00 0.00 C ATOM 626 O THR A 52 -11.236 -1.855 -3.795 1.00 0.00 O ATOM 627 CB THR A 52 -11.915 -3.684 -1.294 1.00 0.00 C ATOM 628 OG1 THR A 52 -13.146 -4.330 -1.566 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.220 -2.241 -0.952 1.00 0.00 C ATOM 0 H THR A 52 -9.429 -2.407 -2.330 1.00 0.00 H new ATOM 0 HA THR A 52 -10.892 -4.895 -2.737 1.00 0.00 H new ATOM 0 HB THR A 52 -11.407 -4.141 -0.445 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.749 -4.221 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.910 -2.205 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.296 -1.727 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.674 -1.751 -1.813 1.00 0.00 H new ATOM 637 N ASN A 53 -12.147 -3.754 -4.582 1.00 0.00 N ATOM 638 CA ASN A 53 -12.683 -3.125 -5.784 1.00 0.00 C ATOM 639 C ASN A 53 -11.562 -2.514 -6.623 1.00 0.00 C ATOM 640 O ASN A 53 -11.778 -1.556 -7.364 1.00 0.00 O ATOM 641 CB ASN A 53 -13.705 -2.049 -5.413 1.00 0.00 C ATOM 642 CG ASN A 53 -15.118 -2.594 -5.354 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.775 -2.761 -6.381 1.00 0.00 O ATOM 644 ND2 ASN A 53 -15.592 -2.877 -4.147 1.00 0.00 N ATOM 0 H ASN A 53 -12.344 -4.752 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.179 -3.894 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.443 -1.620 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.660 -1.241 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.536 -3.249 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.012 -2.723 -3.322 1.00 0.00 H new ATOM 651 N SER A 54 -10.366 -3.080 -6.498 1.00 0.00 N ATOM 652 CA SER A 54 -9.206 -2.602 -7.242 1.00 0.00 C ATOM 653 C SER A 54 -8.990 -3.444 -8.495 1.00 0.00 C ATOM 654 O SER A 54 -9.681 -4.440 -8.710 1.00 0.00 O ATOM 655 CB SER A 54 -7.958 -2.659 -6.359 1.00 0.00 C ATOM 656 OG SER A 54 -7.322 -3.923 -6.454 1.00 0.00 O ATOM 0 H SER A 54 -10.174 -3.873 -5.886 1.00 0.00 H new ATOM 0 HA SER A 54 -9.388 -1.570 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.262 -1.875 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.233 -2.464 -5.322 1.00 0.00 H new ATOM 0 HG SER A 54 -6.658 -4.010 -5.738 1.00 0.00 H new ATOM 662 N LYS A 55 -8.018 -3.051 -9.308 1.00 0.00 N ATOM 663 CA LYS A 55 -7.701 -3.785 -10.527 1.00 0.00 C ATOM 664 C LYS A 55 -6.258 -4.282 -10.494 1.00 0.00 C ATOM 665 O LYS A 55 -5.675 -4.597 -11.530 1.00 0.00 O ATOM 666 CB LYS A 55 -7.923 -2.900 -11.756 1.00 0.00 C ATOM 667 CG LYS A 55 -9.371 -2.851 -12.218 1.00 0.00 C ATOM 668 CD LYS A 55 -9.485 -3.029 -13.724 1.00 0.00 C ATOM 669 CE LYS A 55 -9.918 -4.441 -14.087 1.00 0.00 C ATOM 670 NZ LYS A 55 -10.665 -4.480 -15.375 1.00 0.00 N ATOM 0 H LYS A 55 -7.436 -2.229 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.365 -4.647 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.588 -1.888 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.302 -3.266 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.941 -3.632 -11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.813 -1.898 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.204 -2.313 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.525 -2.810 -14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.040 -5.083 -14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.545 -4.844 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.942 -5.460 -15.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.517 -3.888 -15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.059 -4.119 -16.139 1.00 0.00 H new ATOM 684 N ASP A 56 -5.687 -4.342 -9.292 1.00 0.00 N ATOM 685 CA ASP A 56 -4.323 -4.788 -9.107 1.00 0.00 C ATOM 686 C ASP A 56 -4.180 -5.484 -7.753 1.00 0.00 C ATOM 687 O ASP A 56 -5.044 -6.263 -7.353 1.00 0.00 O ATOM 688 CB ASP A 56 -3.358 -3.605 -9.222 1.00 0.00 C ATOM 689 CG ASP A 56 -3.677 -2.706 -10.401 1.00 0.00 C ATOM 690 OD1 ASP A 56 -4.715 -2.012 -10.356 1.00 0.00 O ATOM 691 OD2 ASP A 56 -2.888 -2.695 -11.369 1.00 0.00 O ATOM 0 H ASP A 56 -6.162 -4.082 -8.427 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.072 -5.505 -9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.395 -3.020 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.339 -3.980 -9.321 1.00 0.00 H new ATOM 696 N CYS A 57 -3.082 -5.204 -7.062 1.00 0.00 N ATOM 697 CA CYS A 57 -2.800 -5.797 -5.756 1.00 0.00 C ATOM 698 C CYS A 57 -2.334 -7.239 -5.914 1.00 0.00 C ATOM 699 O CYS A 57 -3.091 -8.178 -5.671 1.00 0.00 O ATOM 700 CB CYS A 57 -4.030 -5.744 -4.842 1.00 0.00 C ATOM 701 SG CYS A 57 -4.791 -4.094 -4.689 1.00 0.00 S ATOM 0 H CYS A 57 -2.361 -4.560 -7.389 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.005 -5.213 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.778 -6.441 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.744 -6.091 -3.849 1.00 0.00 H new ATOM 706 N PHE A 58 -1.083 -7.405 -6.329 1.00 0.00 N ATOM 707 CA PHE A 58 -0.516 -8.733 -6.528 1.00 0.00 C ATOM 708 C PHE A 58 -0.117 -9.365 -5.197 1.00 0.00 C ATOM 709 O PHE A 58 -0.310 -10.562 -4.986 1.00 0.00 O ATOM 710 CB PHE A 58 0.702 -8.661 -7.454 1.00 0.00 C ATOM 711 CG PHE A 58 0.513 -7.836 -8.671 1.00 0.00 C ATOM 712 CD1 PHE A 58 -0.749 -7.498 -9.122 1.00 0.00 C ATOM 713 CD2 PHE A 58 1.620 -7.410 -9.377 1.00 0.00 C ATOM 714 CE1 PHE A 58 -0.899 -6.743 -10.256 1.00 0.00 C ATOM 715 CE2 PHE A 58 1.475 -6.659 -10.511 1.00 0.00 C ATOM 716 CZ PHE A 58 0.216 -6.329 -10.947 1.00 0.00 C ATOM 0 H PHE A 58 -0.443 -6.637 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.281 -9.356 -6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.546 -8.263 -6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.970 -9.673 -7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.621 -7.830 -8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.609 -7.672 -9.031 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.885 -6.475 -10.605 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.345 -6.328 -11.059 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.099 -5.737 -11.843 1.00 0.00 H new ATOM 726 N GLU A 59 0.446 -8.556 -4.306 1.00 0.00 N ATOM 727 CA GLU A 59 0.878 -9.042 -3.000 1.00 0.00 C ATOM 728 C GLU A 59 -0.041 -8.538 -1.891 1.00 0.00 C ATOM 729 O GLU A 59 0.422 -8.081 -0.846 1.00 0.00 O ATOM 730 CB GLU A 59 2.317 -8.605 -2.724 1.00 0.00 C ATOM 731 CG GLU A 59 2.486 -7.097 -2.634 1.00 0.00 C ATOM 732 CD GLU A 59 3.940 -6.677 -2.550 1.00 0.00 C ATOM 733 OE1 GLU A 59 4.795 -7.376 -3.134 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.224 -5.649 -1.899 1.00 0.00 O ATOM 0 H GLU A 59 0.614 -7.562 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 59 0.829 -10.131 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.653 -9.057 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.963 -8.989 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.027 -6.631 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.954 -6.727 -1.758 1.00 0.00 H new ATOM 741 N ALA A 60 -1.346 -8.624 -2.123 1.00 0.00 N ATOM 742 CA ALA A 60 -2.327 -8.178 -1.140 1.00 0.00 C ATOM 743 C ALA A 60 -2.857 -9.349 -0.320 1.00 0.00 C ATOM 744 O ALA A 60 -3.269 -10.370 -0.870 1.00 0.00 O ATOM 745 CB ALA A 60 -3.474 -7.454 -1.828 1.00 0.00 C ATOM 0 H ALA A 60 -1.749 -8.998 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.830 -7.486 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.198 -7.127 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.088 -6.586 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.959 -8.129 -2.533 1.00 0.00 H new ATOM 751 N ASN A 61 -2.844 -9.192 0.999 1.00 0.00 N ATOM 752 CA ASN A 61 -3.324 -10.235 1.899 1.00 0.00 C ATOM 753 C ASN A 61 -4.826 -10.446 1.734 1.00 0.00 C ATOM 754 O ASN A 61 -5.316 -11.572 1.823 1.00 0.00 O ATOM 755 CB ASN A 61 -3.000 -9.876 3.350 1.00 0.00 C ATOM 756 CG ASN A 61 -1.580 -9.370 3.519 1.00 0.00 C ATOM 757 OD1 ASN A 61 -0.637 -9.936 2.964 1.00 0.00 O ATOM 758 ND2 ASN A 61 -1.419 -8.298 4.286 1.00 0.00 N ATOM 0 H ASN A 61 -2.506 -8.352 1.469 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.816 -11.165 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.698 -9.114 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.147 -10.753 3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.486 -7.912 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.228 -7.860 4.727 1.00 0.00 H new ATOM 765 N THR A 62 -5.554 -9.359 1.492 1.00 0.00 N ATOM 766 CA THR A 62 -7.000 -9.432 1.313 1.00 0.00 C ATOM 767 C THR A 62 -7.402 -8.958 -0.080 1.00 0.00 C ATOM 768 O THR A 62 -7.609 -7.766 -0.305 1.00 0.00 O ATOM 769 CB THR A 62 -7.711 -8.592 2.375 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.882 -8.407 3.508 1.00 0.00 O ATOM 771 CG2 THR A 62 -9.010 -9.207 2.853 1.00 0.00 C ATOM 0 H THR A 62 -5.166 -8.419 1.416 1.00 0.00 H new ATOM 0 HA THR A 62 -7.301 -10.474 1.423 1.00 0.00 H new ATOM 0 HB THR A 62 -7.933 -7.642 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.366 -7.580 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.463 -8.561 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.692 -9.317 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.810 -10.186 3.288 1.00 0.00 H new ATOM 779 N CYS A 63 -7.514 -9.901 -1.010 1.00 0.00 N ATOM 780 CA CYS A 63 -7.895 -9.582 -2.381 1.00 0.00 C ATOM 781 C CYS A 63 -9.367 -9.903 -2.622 1.00 0.00 C ATOM 782 O CYS A 63 -9.700 -10.898 -3.266 1.00 0.00 O ATOM 783 CB CYS A 63 -7.017 -10.359 -3.367 1.00 0.00 C ATOM 784 SG CYS A 63 -7.440 -10.091 -5.119 1.00 0.00 S ATOM 0 H CYS A 63 -7.346 -10.892 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.746 -8.514 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.976 -10.077 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.096 -11.423 -3.145 1.00 0.00 H new ATOM 789 N THR A 64 -10.247 -9.054 -2.098 1.00 0.00 N ATOM 790 CA THR A 64 -11.685 -9.249 -2.253 1.00 0.00 C ATOM 791 C THR A 64 -12.259 -8.293 -3.295 1.00 0.00 C ATOM 792 O THR A 64 -11.994 -7.092 -3.263 1.00 0.00 O ATOM 793 CB THR A 64 -12.394 -9.045 -0.914 1.00 0.00 C ATOM 794 OG1 THR A 64 -11.695 -8.107 -0.114 1.00 0.00 O ATOM 795 CG2 THR A 64 -12.533 -10.320 -0.113 1.00 0.00 C ATOM 0 H THR A 64 -9.989 -8.225 -1.563 1.00 0.00 H new ATOM 0 HA THR A 64 -11.851 -10.270 -2.595 1.00 0.00 H new ATOM 0 HB THR A 64 -13.391 -8.682 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.165 -7.989 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.044 -10.106 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.111 -11.047 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.544 -10.727 0.097 1.00 0.00 H new ATOM 803 N ASP A 65 -13.049 -8.838 -4.215 1.00 0.00 N ATOM 804 CA ASP A 65 -13.668 -8.037 -5.268 1.00 0.00 C ATOM 805 C ASP A 65 -12.621 -7.228 -6.030 1.00 0.00 C ATOM 806 O ASP A 65 -12.568 -6.002 -5.922 1.00 0.00 O ATOM 807 CB ASP A 65 -14.720 -7.100 -4.671 1.00 0.00 C ATOM 808 CG ASP A 65 -15.927 -7.850 -4.142 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.508 -8.653 -4.902 1.00 0.00 O ATOM 810 OD2 ASP A 65 -16.289 -7.636 -2.965 1.00 0.00 O ATOM 0 H ASP A 65 -13.276 -9.832 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.151 -8.717 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.272 -6.522 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.042 -6.388 -5.431 1.00 0.00 H new ATOM 815 N SER A 66 -11.790 -7.921 -6.802 1.00 0.00 N ATOM 816 CA SER A 66 -10.746 -7.268 -7.583 1.00 0.00 C ATOM 817 C SER A 66 -10.140 -8.233 -8.597 1.00 0.00 C ATOM 818 O SER A 66 -10.608 -9.357 -8.755 1.00 0.00 O ATOM 819 CB SER A 66 -9.652 -6.727 -6.660 1.00 0.00 C ATOM 820 OG SER A 66 -8.776 -7.763 -6.249 1.00 0.00 O ATOM 0 H SER A 66 -11.820 -8.936 -6.903 1.00 0.00 H new ATOM 0 HA SER A 66 -11.199 -6.437 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.087 -5.951 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.106 -6.262 -5.785 1.00 0.00 H new ATOM 0 HG SER A 66 -9.292 -8.577 -6.073 1.00 0.00 H new ATOM 826 N THR A 67 -9.100 -7.781 -9.289 1.00 0.00 N ATOM 827 CA THR A 67 -8.435 -8.598 -10.293 1.00 0.00 C ATOM 828 C THR A 67 -6.923 -8.417 -10.237 1.00 0.00 C ATOM 829 O THR A 67 -6.425 -7.443 -9.673 1.00 0.00 O ATOM 830 CB THR A 67 -8.957 -8.233 -11.677 1.00 0.00 C ATOM 831 OG1 THR A 67 -8.137 -8.782 -12.692 1.00 0.00 O ATOM 832 CG2 THR A 67 -9.038 -6.743 -11.903 1.00 0.00 C ATOM 0 H THR A 67 -8.700 -6.850 -9.171 1.00 0.00 H new ATOM 0 HA THR A 67 -8.654 -9.645 -10.086 1.00 0.00 H new ATOM 0 HB THR A 67 -9.963 -8.650 -11.725 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.698 -9.100 -13.430 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.417 -6.547 -12.906 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.710 -6.300 -11.169 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.046 -6.305 -11.798 1.00 0.00 H new ATOM 840 N ASN A 68 -6.198 -9.364 -10.826 1.00 0.00 N ATOM 841 CA ASN A 68 -4.741 -9.309 -10.840 1.00 0.00 C ATOM 842 C ASN A 68 -4.186 -9.375 -9.421 1.00 0.00 C ATOM 843 O ASN A 68 -3.732 -8.370 -8.873 1.00 0.00 O ATOM 844 CB ASN A 68 -4.261 -8.030 -11.533 1.00 0.00 C ATOM 845 CG ASN A 68 -3.028 -8.264 -12.384 1.00 0.00 C ATOM 846 OD1 ASN A 68 -1.986 -8.691 -11.886 1.00 0.00 O ATOM 847 ND2 ASN A 68 -3.140 -7.982 -13.678 1.00 0.00 N ATOM 0 H ASN A 68 -6.595 -10.176 -11.298 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.373 -10.171 -11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.062 -7.636 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.042 -7.272 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.343 -8.118 -14.300 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.023 -7.630 -14.049 1.00 0.00 H new ATOM 854 N CYS A 69 -4.228 -10.565 -8.830 1.00 0.00 N ATOM 855 CA CYS A 69 -3.731 -10.762 -7.474 1.00 0.00 C ATOM 856 C CYS A 69 -2.765 -11.943 -7.418 1.00 0.00 C ATOM 857 O CYS A 69 -3.116 -13.024 -6.946 1.00 0.00 O ATOM 858 CB CYS A 69 -4.897 -10.990 -6.510 1.00 0.00 C ATOM 859 SG CYS A 69 -5.698 -9.455 -5.943 1.00 0.00 S ATOM 0 H CYS A 69 -4.601 -11.407 -9.269 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.194 -9.863 -7.173 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.642 -11.618 -6.999 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.535 -11.541 -5.642 1.00 0.00 H new ATOM 864 N TYR A 70 -1.546 -11.725 -7.903 1.00 0.00 N ATOM 865 CA TYR A 70 -0.525 -12.763 -7.912 1.00 0.00 C ATOM 866 C TYR A 70 0.127 -12.891 -6.541 1.00 0.00 C ATOM 867 O TYR A 70 1.083 -12.181 -6.233 1.00 0.00 O ATOM 868 CB TYR A 70 0.537 -12.455 -8.969 1.00 0.00 C ATOM 869 CG TYR A 70 -0.041 -12.061 -10.310 1.00 0.00 C ATOM 870 CD1 TYR A 70 -1.110 -12.758 -10.858 1.00 0.00 C ATOM 871 CD2 TYR A 70 0.484 -10.993 -11.027 1.00 0.00 C ATOM 872 CE1 TYR A 70 -1.641 -12.401 -12.083 1.00 0.00 C ATOM 873 CE2 TYR A 70 -0.042 -10.630 -12.252 1.00 0.00 C ATOM 874 CZ TYR A 70 -1.103 -11.337 -12.776 1.00 0.00 C ATOM 875 OH TYR A 70 -1.630 -10.978 -13.996 1.00 0.00 O ATOM 0 H TYR A 70 -1.242 -10.834 -8.296 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.005 -13.710 -8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.175 -11.649 -8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.173 -13.331 -9.100 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.533 -13.592 -10.318 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.316 -10.438 -10.620 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.473 -12.952 -12.495 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.376 -9.796 -12.796 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.138 -10.209 -14.351 1.00 0.00 H new ATOM 885 N LYS A 71 -0.410 -13.803 -5.731 1.00 0.00 N ATOM 886 CA LYS A 71 0.082 -14.065 -4.372 1.00 0.00 C ATOM 887 C LYS A 71 -0.841 -13.437 -3.332 1.00 0.00 C ATOM 888 O LYS A 71 -0.411 -12.635 -2.503 1.00 0.00 O ATOM 889 CB LYS A 71 1.515 -13.553 -4.174 1.00 0.00 C ATOM 890 CG LYS A 71 2.203 -14.127 -2.944 1.00 0.00 C ATOM 891 CD LYS A 71 2.832 -13.034 -2.095 1.00 0.00 C ATOM 892 CE LYS A 71 4.039 -12.417 -2.784 1.00 0.00 C ATOM 893 NZ LYS A 71 5.310 -13.077 -2.378 1.00 0.00 N ATOM 0 H LYS A 71 -1.203 -14.386 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 71 0.089 -15.147 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.105 -13.798 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.496 -12.466 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.479 -14.682 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.971 -14.836 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.093 -12.259 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.133 -13.448 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.919 -12.495 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.089 -11.355 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.108 -12.627 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.438 -12.981 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.273 -14.086 -2.629 1.00 0.00 H new ATOM 907 N ALA A 72 -2.116 -13.812 -3.384 1.00 0.00 N ATOM 908 CA ALA A 72 -3.106 -13.293 -2.448 1.00 0.00 C ATOM 909 C ALA A 72 -3.693 -14.414 -1.596 1.00 0.00 C ATOM 910 O ALA A 72 -4.055 -15.472 -2.109 1.00 0.00 O ATOM 911 CB ALA A 72 -4.210 -12.565 -3.201 1.00 0.00 C ATOM 0 H ALA A 72 -2.487 -14.474 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.609 -12.588 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.943 -12.182 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.781 -11.735 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.698 -13.256 -3.889 1.00 0.00 H new ATOM 917 N THR A 73 -3.783 -14.174 -0.293 1.00 0.00 N ATOM 918 CA THR A 73 -4.323 -15.164 0.633 1.00 0.00 C ATOM 919 C THR A 73 -5.845 -15.062 0.740 1.00 0.00 C ATOM 920 O THR A 73 -6.465 -15.775 1.528 1.00 0.00 O ATOM 921 CB THR A 73 -3.695 -14.992 2.016 1.00 0.00 C ATOM 922 OG1 THR A 73 -3.539 -13.619 2.328 1.00 0.00 O ATOM 923 CG2 THR A 73 -2.337 -15.648 2.143 1.00 0.00 C ATOM 0 H THR A 73 -3.489 -13.302 0.147 1.00 0.00 H new ATOM 0 HA THR A 73 -4.076 -16.151 0.242 1.00 0.00 H new ATOM 0 HB THR A 73 -4.382 -15.479 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.330 -13.124 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.948 -15.488 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.431 -16.718 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.653 -15.211 1.416 1.00 0.00 H new ATOM 931 N ALA A 74 -6.445 -14.177 -0.053 1.00 0.00 N ATOM 932 CA ALA A 74 -7.891 -13.998 -0.032 1.00 0.00 C ATOM 933 C ALA A 74 -8.430 -13.679 -1.422 1.00 0.00 C ATOM 934 O ALA A 74 -8.497 -12.516 -1.820 1.00 0.00 O ATOM 935 CB ALA A 74 -8.273 -12.899 0.949 1.00 0.00 C ATOM 0 H ALA A 74 -5.953 -13.576 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.341 -14.936 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.356 -12.776 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.934 -13.170 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.803 -11.963 0.648 1.00 0.00 H new ATOM 941 N CYS A 75 -8.817 -14.717 -2.156 1.00 0.00 N ATOM 942 CA CYS A 75 -9.353 -14.547 -3.501 1.00 0.00 C ATOM 943 C CYS A 75 -10.746 -15.164 -3.610 1.00 0.00 C ATOM 944 O CYS A 75 -10.924 -16.212 -4.231 1.00 0.00 O ATOM 945 CB CYS A 75 -8.417 -15.180 -4.532 1.00 0.00 C ATOM 946 SG CYS A 75 -8.958 -14.962 -6.258 1.00 0.00 S ATOM 0 H CYS A 75 -8.769 -15.686 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 75 -9.430 -13.479 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -7.422 -14.749 -4.417 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.329 -16.246 -4.322 1.00 0.00 H new ATOM 951 N THR A 76 -11.727 -14.510 -2.997 1.00 0.00 N ATOM 952 CA THR A 76 -13.103 -14.997 -3.020 1.00 0.00 C ATOM 953 C THR A 76 -13.607 -15.165 -4.451 1.00 0.00 C ATOM 954 O THR A 76 -14.145 -16.213 -4.810 1.00 0.00 O ATOM 955 CB THR A 76 -14.020 -14.044 -2.246 1.00 0.00 C ATOM 956 OG1 THR A 76 -15.304 -14.616 -2.074 1.00 0.00 O ATOM 957 CG2 THR A 76 -14.205 -12.702 -2.922 1.00 0.00 C ATOM 0 H THR A 76 -11.596 -13.642 -2.478 1.00 0.00 H new ATOM 0 HA THR A 76 -13.119 -15.975 -2.538 1.00 0.00 H new ATOM 0 HB THR A 76 -13.524 -13.883 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.875 -13.994 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.865 -12.079 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.238 -12.211 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.645 -12.849 -3.908 1.00 0.00 H new ATOM 965 N ASN A 77 -13.428 -14.129 -5.266 1.00 0.00 N ATOM 966 CA ASN A 77 -13.863 -14.162 -6.659 1.00 0.00 C ATOM 967 C ASN A 77 -13.095 -13.142 -7.491 1.00 0.00 C ATOM 968 O ASN A 77 -13.608 -12.621 -8.481 1.00 0.00 O ATOM 969 CB ASN A 77 -15.365 -13.878 -6.757 1.00 0.00 C ATOM 970 CG ASN A 77 -16.194 -14.834 -5.923 1.00 0.00 C ATOM 971 OD1 ASN A 77 -16.328 -16.012 -6.256 1.00 0.00 O ATOM 972 ND2 ASN A 77 -16.757 -14.329 -4.831 1.00 0.00 N ATOM 0 H ASN A 77 -12.984 -13.255 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 77 -13.660 -15.159 -7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.560 -12.856 -6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.677 -13.946 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.327 -14.924 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.619 -13.347 -4.594 1.00 0.00 H new ATOM 979 N SER A 78 -11.864 -12.857 -7.081 1.00 0.00 N ATOM 980 CA SER A 78 -11.029 -11.894 -7.786 1.00 0.00 C ATOM 981 C SER A 78 -10.194 -12.578 -8.862 1.00 0.00 C ATOM 982 O SER A 78 -9.942 -13.782 -8.795 1.00 0.00 O ATOM 983 CB SER A 78 -10.113 -11.167 -6.801 1.00 0.00 C ATOM 984 OG SER A 78 -10.842 -10.244 -6.011 1.00 0.00 O ATOM 0 H SER A 78 -11.423 -13.280 -6.264 1.00 0.00 H new ATOM 0 HA SER A 78 -11.685 -11.169 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.620 -11.893 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.329 -10.643 -7.348 1.00 0.00 H new ATOM 0 HG SER A 78 -10.578 -10.337 -5.072 1.00 0.00 H new ATOM 990 N SER A 79 -9.765 -11.805 -9.856 1.00 0.00 N ATOM 991 CA SER A 79 -8.956 -12.343 -10.943 1.00 0.00 C ATOM 992 C SER A 79 -7.471 -12.281 -10.603 1.00 0.00 C ATOM 993 O SER A 79 -7.056 -11.539 -9.713 1.00 0.00 O ATOM 994 CB SER A 79 -9.229 -11.580 -12.242 1.00 0.00 C ATOM 995 OG SER A 79 -10.396 -10.784 -12.131 1.00 0.00 O ATOM 0 H SER A 79 -9.964 -10.807 -9.930 1.00 0.00 H new ATOM 0 HA SER A 79 -9.233 -13.388 -11.081 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.375 -10.947 -12.482 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.343 -12.286 -13.065 1.00 0.00 H new ATOM 0 HG SER A 79 -10.494 -10.234 -12.936 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.675 -13.063 -11.325 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.242 -13.084 -11.094 1.00 0.00 C ATOM 1003 C GLY A 80 -4.860 -13.763 -9.791 1.00 0.00 C ATOM 1004 O GLY A 80 -3.721 -13.647 -9.339 1.00 0.00 O ATOM 0 H GLY A 80 -6.997 -13.684 -12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.754 -13.598 -11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.866 -12.061 -11.088 1.00 0.00 H new ATOM 1008 N CYS A 81 -5.807 -14.474 -9.184 1.00 0.00 N ATOM 1009 CA CYS A 81 -5.550 -15.170 -7.927 1.00 0.00 C ATOM 1010 C CYS A 81 -6.233 -16.537 -7.908 1.00 0.00 C ATOM 1011 O CYS A 81 -7.170 -16.780 -8.670 1.00 0.00 O ATOM 1012 CB CYS A 81 -6.033 -14.326 -6.745 1.00 0.00 C ATOM 1013 SG CYS A 81 -7.672 -13.572 -6.990 1.00 0.00 S ATOM 0 H CYS A 81 -6.756 -14.583 -9.541 1.00 0.00 H new ATOM 0 HA CYS A 81 -4.474 -15.323 -7.839 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.063 -14.952 -5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.306 -13.536 -6.556 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.770 -17.454 -7.038 1.00 0.00 N ATOM 1019 CA PRO A 82 -6.333 -18.800 -6.929 1.00 0.00 C ATOM 1020 C PRO A 82 -7.662 -18.819 -6.173 1.00 0.00 C ATOM 1021 O PRO A 82 -8.724 -18.969 -6.776 1.00 0.00 O ATOM 1022 CB PRO A 82 -5.260 -19.593 -6.160 1.00 0.00 C ATOM 1023 CG PRO A 82 -4.107 -18.655 -5.969 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.659 -17.264 -6.102 1.00 0.00 C ATOM 0 HA PRO A 82 -6.560 -19.219 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.644 -19.939 -5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.954 -20.478 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.649 -18.798 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.332 -18.837 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.998 -16.868 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.916 -16.567 -6.490 1.00 0.00 H new