USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 538 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 74 CYS SG : rot -149:sc= 0.0178 USER MOD Set 1.2: A 76 CYS SG : rot -179:sc= -2.97! USER MOD Set 1.3: A 83 CYS SG : rot 180:sc= -0.135 USER MOD Set 1.4: A 87 CYS SG : rot 180:sc= 0.218 USER MOD Set 1.5: A 93 CYS SG : rot -56:sc= -0.0161 USER MOD Set 1.6: A 99 CYS SG : rot 180:sc= 0 USER MOD Set 1.7: A 102 LYS NZ :NH3+ -164:sc= 0.0754 (180deg=-0.404) USER MOD Set 2.1: A 52 CYS SG : rot 180:sc= -0.454 USER MOD Set 2.2: A 67 CYS SG : rot 180:sc= 0.193 USER MOD Set 2.3: A 69 SER OG : rot 99:sc= 0.448 USER MOD Set 3.1: A 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 47 CYS SG : rot -24:sc= 0 USER MOD Set 3.3: A 65 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 20 CYS SG : rot -30:sc= -1.96 USER MOD Set 4.3: A 28 CYS SG : rot 180:sc= -1.72! USER MOD Set 4.4: A 32 CYS SG : rot -160:sc= 0.434 USER MOD Set 4.5: A 37 CYS SG : rot 180:sc= 0.393 USER MOD Set 5.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 12 THR OG1 : rot 180:sc= -0.134 USER MOD Set 6.2: A 14 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 15 CYS SG : rot -24:sc= 0.0747 USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= -0.0843 (180deg=-0.399) USER MOD Single : A 17 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.087) USER MOD Single : A 18 THR OG1 : rot 47:sc= 0.0428 USER MOD Single : A 22 CYS SG : rot -80:sc= -1.68! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0675 (180deg=-0.352) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -86:sc= 0.126 USER MOD Single : A 60 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.33) USER MOD Single : A 61 CYS SG : rot 180:sc= 0.163 USER MOD Single : A 62 THR OG1 : rot -120:sc= 0.0301 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0.15 USER MOD Single : A 71 SER OG : rot 110:sc= 1.2 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 75 LYS NZ :NH3+ 146:sc= -0.924 (180deg=-2.15!) USER MOD Single : A 80 SER OG : rot 132:sc= -1.29 USER MOD Single : A 81 CYS SG : rot 110:sc= -1.57 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -0.0176 (180deg=-0.163) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 26:sc= 0.617 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 124:sc= -3.33! USER MOD Single : A 98 SER OG : rot 55:sc= 1.26 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.065 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -4.992 -9.337 -19.274 1.00 0.00 N ATOM 94 CA GLY A 8 -5.723 -8.228 -19.824 1.00 0.00 C ATOM 95 C GLY A 8 -5.457 -6.945 -19.067 1.00 0.00 C ATOM 96 O GLY A 8 -4.804 -6.967 -18.022 1.00 0.00 O ATOM 0 HA2 GLY A 8 -5.448 -8.096 -20.870 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.790 -8.449 -19.800 1.00 0.00 H new ATOM 100 N ALA A 9 -5.944 -5.824 -19.615 1.00 0.00 N ATOM 101 CA ALA A 9 -5.778 -4.483 -19.012 1.00 0.00 C ATOM 102 C ALA A 9 -4.314 -4.016 -18.995 1.00 0.00 C ATOM 103 O ALA A 9 -4.006 -2.928 -18.514 1.00 0.00 O ATOM 104 CB ALA A 9 -6.377 -4.432 -17.612 1.00 0.00 C ATOM 0 H ALA A 9 -6.466 -5.815 -20.491 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.324 -3.788 -19.650 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.240 -3.435 -17.194 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.441 -4.661 -17.663 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.878 -5.164 -16.976 1.00 0.00 H new ATOM 110 N GLY A 10 -3.424 -4.833 -19.526 1.00 0.00 N ATOM 111 CA GLY A 10 -2.024 -4.467 -19.586 1.00 0.00 C ATOM 112 C GLY A 10 -1.680 -3.848 -20.913 1.00 0.00 C ATOM 113 O GLY A 10 -0.861 -4.378 -21.665 1.00 0.00 O ATOM 0 H GLY A 10 -3.644 -5.748 -19.919 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.794 -3.766 -18.784 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.407 -5.351 -19.423 1.00 0.00 H new ATOM 117 N CYS A 11 -2.319 -2.743 -21.209 1.00 0.00 N ATOM 118 CA CYS A 11 -2.118 -2.067 -22.470 1.00 0.00 C ATOM 119 C CYS A 11 -0.836 -1.259 -22.482 1.00 0.00 C ATOM 120 O CYS A 11 -0.147 -1.137 -21.466 1.00 0.00 O ATOM 121 CB CYS A 11 -3.311 -1.186 -22.785 1.00 0.00 C ATOM 122 SG CYS A 11 -4.848 -2.107 -22.926 1.00 0.00 S ATOM 0 H CYS A 11 -2.989 -2.288 -20.589 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.024 -2.829 -23.244 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.416 -0.433 -22.004 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.126 -0.654 -23.718 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.822 -1.288 -23.194 1.00 0.00 H new ATOM 127 N THR A 12 -0.544 -0.692 -23.621 1.00 0.00 N ATOM 128 CA THR A 12 0.662 0.052 -23.816 1.00 0.00 C ATOM 129 C THR A 12 0.378 1.535 -23.706 1.00 0.00 C ATOM 130 O THR A 12 -0.781 1.962 -23.772 1.00 0.00 O ATOM 131 CB THR A 12 1.286 -0.274 -25.203 1.00 0.00 C ATOM 132 OG1 THR A 12 2.459 0.509 -25.419 1.00 0.00 O ATOM 133 CG2 THR A 12 0.290 -0.016 -26.328 1.00 0.00 C ATOM 0 H THR A 12 -1.144 -0.736 -24.444 1.00 0.00 H new ATOM 0 HA THR A 12 1.376 -0.231 -23.042 1.00 0.00 H new ATOM 0 HB THR A 12 1.551 -1.331 -25.206 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.841 0.291 -26.295 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.754 -0.252 -27.286 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.590 -0.644 -26.186 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.007 1.033 -26.318 1.00 0.00 H new ATOM 141 N ASP A 13 1.423 2.319 -23.539 1.00 0.00 N ATOM 142 CA ASP A 13 1.285 3.759 -23.446 1.00 0.00 C ATOM 143 C ASP A 13 0.733 4.312 -24.752 1.00 0.00 C ATOM 144 O ASP A 13 0.038 5.320 -24.764 1.00 0.00 O ATOM 145 CB ASP A 13 2.632 4.417 -23.112 1.00 0.00 C ATOM 146 CG ASP A 13 3.653 4.299 -24.233 1.00 0.00 C ATOM 147 OD1 ASP A 13 4.388 3.286 -24.271 1.00 0.00 O ATOM 148 OD2 ASP A 13 3.727 5.219 -25.078 1.00 0.00 O ATOM 0 H ASP A 13 2.383 1.981 -23.464 1.00 0.00 H new ATOM 0 HA ASP A 13 0.588 3.989 -22.640 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.468 5.471 -22.889 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.038 3.959 -22.210 1.00 0.00 H new ATOM 153 N THR A 14 1.007 3.606 -25.842 1.00 0.00 N ATOM 154 CA THR A 14 0.568 4.014 -27.164 1.00 0.00 C ATOM 155 C THR A 14 -0.957 3.884 -27.318 1.00 0.00 C ATOM 156 O THR A 14 -1.553 4.435 -28.250 1.00 0.00 O ATOM 157 CB THR A 14 1.270 3.180 -28.245 1.00 0.00 C ATOM 158 OG1 THR A 14 2.611 2.873 -27.818 1.00 0.00 O ATOM 159 CG2 THR A 14 1.332 3.958 -29.541 1.00 0.00 C ATOM 0 H THR A 14 1.539 2.736 -25.831 1.00 0.00 H new ATOM 0 HA THR A 14 0.836 5.063 -27.287 1.00 0.00 H new ATOM 0 HB THR A 14 0.709 2.259 -28.402 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.059 2.339 -28.507 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.832 3.358 -30.302 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.321 4.195 -29.872 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.888 4.882 -29.384 1.00 0.00 H new ATOM 167 N CYS A 15 -1.575 3.175 -26.394 1.00 0.00 N ATOM 168 CA CYS A 15 -3.013 2.990 -26.408 1.00 0.00 C ATOM 169 C CYS A 15 -3.692 4.146 -25.702 1.00 0.00 C ATOM 170 O CYS A 15 -4.859 4.454 -25.943 1.00 0.00 O ATOM 171 CB CYS A 15 -3.369 1.699 -25.703 1.00 0.00 C ATOM 172 SG CYS A 15 -5.139 1.326 -25.697 1.00 0.00 S ATOM 0 H CYS A 15 -1.099 2.714 -25.618 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.352 2.949 -27.443 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.837 0.877 -26.182 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.016 1.750 -24.673 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.815 2.428 -25.835 1.00 0.00 H new ATOM 177 N LYS A 16 -2.942 4.799 -24.838 1.00 0.00 N ATOM 178 CA LYS A 16 -3.446 5.909 -24.054 1.00 0.00 C ATOM 179 C LYS A 16 -3.486 7.185 -24.894 1.00 0.00 C ATOM 180 O LYS A 16 -3.665 8.282 -24.372 1.00 0.00 O ATOM 181 CB LYS A 16 -2.558 6.098 -22.817 1.00 0.00 C ATOM 182 CG LYS A 16 -2.442 4.836 -21.963 1.00 0.00 C ATOM 183 CD LYS A 16 -1.404 4.975 -20.851 1.00 0.00 C ATOM 184 CE LYS A 16 -1.799 6.036 -19.837 1.00 0.00 C ATOM 185 NZ LYS A 16 -3.149 5.786 -19.267 1.00 0.00 N ATOM 0 H LYS A 16 -1.963 4.575 -24.659 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.464 5.691 -23.732 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.562 6.406 -23.136 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.962 6.906 -22.207 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.413 4.609 -21.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.176 3.993 -22.601 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.283 4.017 -20.346 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.438 5.230 -21.286 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.064 6.060 -19.032 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.782 7.016 -20.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.150 6.032 -18.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.850 6.370 -19.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.392 4.781 -19.379 1.00 0.00 H new ATOM 199 N GLN A 17 -3.322 7.026 -26.203 1.00 0.00 N ATOM 200 CA GLN A 17 -3.315 8.154 -27.120 1.00 0.00 C ATOM 201 C GLN A 17 -4.699 8.376 -27.708 1.00 0.00 C ATOM 202 O GLN A 17 -5.552 7.484 -27.670 1.00 0.00 O ATOM 203 CB GLN A 17 -2.326 7.914 -28.259 1.00 0.00 C ATOM 204 CG GLN A 17 -0.955 7.441 -27.823 1.00 0.00 C ATOM 205 CD GLN A 17 -0.349 8.300 -26.748 1.00 0.00 C ATOM 206 OE1 GLN A 17 0.266 9.327 -27.035 1.00 0.00 O ATOM 207 NE2 GLN A 17 -0.458 7.878 -25.516 1.00 0.00 N ATOM 0 H GLN A 17 -3.192 6.120 -26.652 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.014 9.037 -26.557 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.750 7.175 -28.939 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.213 8.839 -28.824 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.029 6.415 -27.462 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.290 7.427 -28.687 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.975 7.022 -25.314 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.026 8.404 -24.757 1.00 0.00 H new ATOM 216 N THR A 18 -4.909 9.554 -28.263 1.00 0.00 N ATOM 217 CA THR A 18 -6.175 9.915 -28.890 1.00 0.00 C ATOM 218 C THR A 18 -5.946 10.889 -30.057 1.00 0.00 C ATOM 219 O THR A 18 -5.705 12.077 -29.836 1.00 0.00 O ATOM 220 CB THR A 18 -7.146 10.563 -27.870 1.00 0.00 C ATOM 221 OG1 THR A 18 -6.429 11.461 -27.006 1.00 0.00 O ATOM 222 CG2 THR A 18 -7.863 9.509 -27.031 1.00 0.00 C ATOM 0 H THR A 18 -4.207 10.293 -28.294 1.00 0.00 H new ATOM 0 HA THR A 18 -6.622 8.995 -29.266 1.00 0.00 H new ATOM 0 HB THR A 18 -7.896 11.117 -28.434 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.848 12.039 -27.544 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.535 10.000 -26.327 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.438 8.853 -27.685 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.129 8.920 -26.481 1.00 0.00 H new ATOM 230 N PRO A 19 -6.004 10.403 -31.320 1.00 0.00 N ATOM 231 CA PRO A 19 -6.254 8.975 -31.640 1.00 0.00 C ATOM 232 C PRO A 19 -5.093 8.052 -31.225 1.00 0.00 C ATOM 233 O PRO A 19 -3.984 8.522 -30.970 1.00 0.00 O ATOM 234 CB PRO A 19 -6.400 8.966 -33.168 1.00 0.00 C ATOM 235 CG PRO A 19 -6.579 10.400 -33.569 1.00 0.00 C ATOM 236 CD PRO A 19 -5.854 11.218 -32.546 1.00 0.00 C ATOM 0 HA PRO A 19 -7.125 8.599 -31.103 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.519 8.534 -33.643 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.255 8.364 -33.476 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.175 10.578 -34.566 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.636 10.665 -33.601 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.807 11.364 -32.811 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.295 12.208 -32.432 1.00 0.00 H new ATOM 244 N CYS A 20 -5.365 6.737 -31.157 1.00 0.00 N ATOM 245 CA CYS A 20 -4.346 5.750 -30.779 1.00 0.00 C ATOM 246 C CYS A 20 -3.137 5.815 -31.692 1.00 0.00 C ATOM 247 O CYS A 20 -3.265 6.028 -32.902 1.00 0.00 O ATOM 248 CB CYS A 20 -4.912 4.326 -30.803 1.00 0.00 C ATOM 249 SG CYS A 20 -5.578 3.737 -29.226 1.00 0.00 S ATOM 0 H CYS A 20 -6.281 6.337 -31.359 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.037 5.998 -29.764 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.701 4.278 -31.553 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.125 3.644 -31.124 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.942 4.308 -28.246 1.00 0.00 H new ATOM 254 N GLY A 21 -1.968 5.609 -31.117 1.00 0.00 N ATOM 255 CA GLY A 21 -0.753 5.635 -31.905 1.00 0.00 C ATOM 256 C GLY A 21 -0.417 4.265 -32.453 1.00 0.00 C ATOM 257 O GLY A 21 0.580 4.093 -33.158 1.00 0.00 O ATOM 0 H GLY A 21 -1.835 5.425 -30.123 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.868 6.339 -32.729 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.072 5.995 -31.291 1.00 0.00 H new ATOM 261 N CYS A 22 -1.251 3.296 -32.119 1.00 0.00 N ATOM 262 CA CYS A 22 -1.062 1.921 -32.541 1.00 0.00 C ATOM 263 C CYS A 22 -1.203 1.773 -34.055 1.00 0.00 C ATOM 264 O CYS A 22 -0.224 1.505 -34.759 1.00 0.00 O ATOM 265 CB CYS A 22 -2.072 1.027 -31.841 1.00 0.00 C ATOM 266 SG CYS A 22 -2.090 1.201 -30.041 1.00 0.00 S ATOM 0 H CYS A 22 -2.081 3.442 -31.545 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.050 1.621 -32.268 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.067 1.250 -32.227 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.858 -0.012 -32.093 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.109 0.519 -29.529 1.00 0.00 H new ATOM 271 N GLY A 23 -2.417 1.952 -34.551 1.00 0.00 N ATOM 272 CA GLY A 23 -2.658 1.813 -35.966 1.00 0.00 C ATOM 273 C GLY A 23 -2.751 0.360 -36.379 1.00 0.00 C ATOM 274 O GLY A 23 -3.705 -0.327 -36.035 1.00 0.00 O ATOM 0 H GLY A 23 -3.239 2.191 -33.996 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.583 2.326 -36.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.855 2.298 -36.521 1.00 0.00 H new ATOM 278 N SER A 24 -1.750 -0.113 -37.092 1.00 0.00 N ATOM 279 CA SER A 24 -1.742 -1.483 -37.564 1.00 0.00 C ATOM 280 C SER A 24 -1.016 -2.413 -36.591 1.00 0.00 C ATOM 281 O SER A 24 -1.133 -3.635 -36.689 1.00 0.00 O ATOM 282 CB SER A 24 -1.097 -1.558 -38.949 1.00 0.00 C ATOM 283 OG SER A 24 -1.795 -0.739 -39.876 1.00 0.00 O ATOM 0 H SER A 24 -0.930 0.432 -37.358 1.00 0.00 H new ATOM 0 HA SER A 24 -2.777 -1.818 -37.630 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.056 -1.240 -38.888 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.095 -2.590 -39.299 1.00 0.00 H new ATOM 0 HG SER A 24 -1.365 -0.800 -40.755 1.00 0.00 H new ATOM 289 N GLY A 25 -0.285 -1.841 -35.645 1.00 0.00 N ATOM 290 CA GLY A 25 0.456 -2.656 -34.720 1.00 0.00 C ATOM 291 C GLY A 25 0.502 -2.080 -33.324 1.00 0.00 C ATOM 292 O GLY A 25 0.854 -0.912 -33.131 1.00 0.00 O ATOM 0 H GLY A 25 -0.195 -0.834 -35.506 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.009 -3.649 -34.682 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.474 -2.779 -35.089 1.00 0.00 H new ATOM 296 N CYS A 26 0.131 -2.893 -32.360 1.00 0.00 N ATOM 297 CA CYS A 26 0.179 -2.515 -30.958 1.00 0.00 C ATOM 298 C CYS A 26 0.713 -3.661 -30.117 1.00 0.00 C ATOM 299 O CYS A 26 0.976 -4.749 -30.631 1.00 0.00 O ATOM 300 CB CYS A 26 -1.199 -2.108 -30.450 1.00 0.00 C ATOM 301 SG CYS A 26 -2.540 -3.211 -30.941 1.00 0.00 S ATOM 0 H CYS A 26 -0.214 -3.839 -32.523 1.00 0.00 H new ATOM 0 HA CYS A 26 0.849 -1.660 -30.869 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.169 -2.056 -29.362 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.422 -1.104 -30.811 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.663 -2.773 -30.454 1.00 0.00 H new ATOM 306 N ASN A 27 0.877 -3.417 -28.834 1.00 0.00 N ATOM 307 CA ASN A 27 1.350 -4.435 -27.908 1.00 0.00 C ATOM 308 C ASN A 27 0.395 -4.567 -26.742 1.00 0.00 C ATOM 309 O ASN A 27 0.799 -4.834 -25.609 1.00 0.00 O ATOM 310 CB ASN A 27 2.762 -4.101 -27.417 1.00 0.00 C ATOM 311 CG ASN A 27 3.827 -4.469 -28.434 1.00 0.00 C ATOM 312 OD1 ASN A 27 3.700 -5.466 -29.153 1.00 0.00 O ATOM 313 ND2 ASN A 27 4.867 -3.667 -28.521 1.00 0.00 N ATOM 0 H ASN A 27 0.688 -2.513 -28.401 1.00 0.00 H new ATOM 0 HA ASN A 27 1.390 -5.390 -28.431 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.825 -3.035 -27.197 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.955 -4.631 -26.484 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.604 -3.859 -29.200 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.936 -2.853 -27.910 1.00 0.00 H new ATOM 320 N CYS A 28 -0.879 -4.390 -27.029 1.00 0.00 N ATOM 321 CA CYS A 28 -1.912 -4.493 -26.022 1.00 0.00 C ATOM 322 C CYS A 28 -2.319 -5.937 -25.814 1.00 0.00 C ATOM 323 O CYS A 28 -1.875 -6.835 -26.539 1.00 0.00 O ATOM 324 CB CYS A 28 -3.115 -3.665 -26.427 1.00 0.00 C ATOM 325 SG CYS A 28 -2.715 -1.947 -26.740 1.00 0.00 S ATOM 0 H CYS A 28 -1.225 -4.172 -27.963 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.516 -4.111 -25.081 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.560 -4.097 -27.323 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.867 -3.719 -25.640 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.793 -1.306 -27.083 1.00 0.00 H new ATOM 330 N LYS A 29 -3.170 -6.157 -24.839 1.00 0.00 N ATOM 331 CA LYS A 29 -3.606 -7.492 -24.500 1.00 0.00 C ATOM 332 C LYS A 29 -4.842 -7.878 -25.303 1.00 0.00 C ATOM 333 O LYS A 29 -5.484 -7.025 -25.914 1.00 0.00 O ATOM 334 CB LYS A 29 -3.896 -7.577 -23.003 1.00 0.00 C ATOM 335 CG LYS A 29 -2.783 -7.008 -22.120 1.00 0.00 C ATOM 336 CD LYS A 29 -1.422 -7.622 -22.442 1.00 0.00 C ATOM 337 CE LYS A 29 -1.431 -9.130 -22.214 1.00 0.00 C ATOM 338 NZ LYS A 29 -0.155 -9.765 -22.618 1.00 0.00 N ATOM 0 H LYS A 29 -3.577 -5.421 -24.262 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.809 -8.193 -24.749 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.822 -7.043 -22.792 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.062 -8.620 -22.734 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.733 -5.927 -22.252 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.023 -7.190 -21.073 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.160 -7.410 -23.479 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.655 -7.162 -21.819 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.619 -9.335 -21.160 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.251 -9.576 -22.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.207 -10.789 -22.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.014 -9.593 -23.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.626 -9.360 -22.063 1.00 0.00 H new ATOM 352 N GLU A 30 -5.171 -9.165 -25.287 1.00 0.00 N ATOM 353 CA GLU A 30 -6.331 -9.691 -26.009 1.00 0.00 C ATOM 354 C GLU A 30 -7.620 -9.007 -25.560 1.00 0.00 C ATOM 355 O GLU A 30 -8.535 -8.795 -26.354 1.00 0.00 O ATOM 356 CB GLU A 30 -6.446 -11.202 -25.789 1.00 0.00 C ATOM 357 CG GLU A 30 -6.584 -11.598 -24.322 1.00 0.00 C ATOM 358 CD GLU A 30 -6.794 -13.080 -24.129 1.00 0.00 C ATOM 359 OE1 GLU A 30 -5.792 -13.807 -23.950 1.00 0.00 O ATOM 360 OE2 GLU A 30 -7.961 -13.524 -24.143 1.00 0.00 O ATOM 0 H GLU A 30 -4.645 -9.874 -24.776 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.186 -9.486 -27.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.309 -11.576 -26.340 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.565 -11.689 -26.207 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.688 -11.290 -23.782 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.422 -11.057 -23.883 1.00 0.00 H new ATOM 367 N ASP A 31 -7.670 -8.647 -24.290 1.00 0.00 N ATOM 368 CA ASP A 31 -8.849 -8.023 -23.710 1.00 0.00 C ATOM 369 C ASP A 31 -8.747 -6.500 -23.785 1.00 0.00 C ATOM 370 O ASP A 31 -9.184 -5.788 -22.888 1.00 0.00 O ATOM 371 CB ASP A 31 -9.013 -8.479 -22.260 1.00 0.00 C ATOM 372 CG ASP A 31 -10.397 -8.196 -21.706 1.00 0.00 C ATOM 373 OD1 ASP A 31 -10.525 -7.317 -20.825 1.00 0.00 O ATOM 374 OD2 ASP A 31 -11.362 -8.859 -22.149 1.00 0.00 O ATOM 0 H ASP A 31 -6.900 -8.777 -23.634 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.726 -8.330 -24.280 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.813 -9.549 -22.196 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.269 -7.978 -21.640 1.00 0.00 H new ATOM 379 N CYS A 32 -8.153 -6.009 -24.858 1.00 0.00 N ATOM 380 CA CYS A 32 -8.031 -4.573 -25.069 1.00 0.00 C ATOM 381 C CYS A 32 -9.418 -3.946 -25.193 1.00 0.00 C ATOM 382 O CYS A 32 -9.765 -3.028 -24.446 1.00 0.00 O ATOM 383 CB CYS A 32 -7.200 -4.281 -26.319 1.00 0.00 C ATOM 384 SG CYS A 32 -6.912 -2.525 -26.619 1.00 0.00 S ATOM 0 H CYS A 32 -7.747 -6.581 -25.598 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.520 -4.135 -24.211 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.238 -4.786 -26.229 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.704 -4.709 -27.186 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.598 -2.344 -27.867 1.00 0.00 H new ATOM 389 N ARG A 33 -10.209 -4.465 -26.143 1.00 0.00 N ATOM 390 CA ARG A 33 -11.591 -4.026 -26.350 1.00 0.00 C ATOM 391 C ARG A 33 -11.659 -2.546 -26.717 1.00 0.00 C ATOM 392 O ARG A 33 -12.605 -1.842 -26.342 1.00 0.00 O ATOM 393 CB ARG A 33 -12.435 -4.299 -25.092 1.00 0.00 C ATOM 394 CG ARG A 33 -12.496 -5.767 -24.681 1.00 0.00 C ATOM 395 CD ARG A 33 -13.030 -6.639 -25.805 1.00 0.00 C ATOM 396 NE ARG A 33 -14.312 -6.145 -26.316 1.00 0.00 N ATOM 397 CZ ARG A 33 -14.879 -6.538 -27.463 1.00 0.00 C ATOM 398 NH1 ARG A 33 -14.319 -7.494 -28.197 1.00 0.00 N ATOM 399 NH2 ARG A 33 -16.023 -5.985 -27.861 1.00 0.00 N ATOM 0 H ARG A 33 -9.908 -5.198 -26.786 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.998 -4.598 -27.184 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.029 -3.719 -24.264 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.450 -3.940 -25.265 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.500 -6.108 -24.396 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.133 -5.874 -23.803 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.303 -6.671 -26.617 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.152 -7.661 -25.446 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.808 -5.451 -25.757 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.452 -7.933 -27.887 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.756 -7.789 -29.070 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.466 -5.263 -27.292 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.457 -6.283 -28.735 1.00 0.00 H new ATOM 413 N CYS A 34 -10.687 -2.081 -27.476 1.00 0.00 N ATOM 414 CA CYS A 34 -10.639 -0.691 -27.844 1.00 0.00 C ATOM 415 C CYS A 34 -10.904 -0.518 -29.320 1.00 0.00 C ATOM 416 O CYS A 34 -10.223 -1.112 -30.141 1.00 0.00 O ATOM 417 CB CYS A 34 -9.288 -0.096 -27.496 1.00 0.00 C ATOM 418 SG CYS A 34 -9.279 1.703 -27.453 1.00 0.00 S ATOM 0 H CYS A 34 -9.924 -2.648 -27.846 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.415 -0.169 -27.284 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.973 -0.475 -26.524 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.552 -0.437 -28.224 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.088 2.124 -27.146 1.00 0.00 H new ATOM 423 N GLN A 35 -11.897 0.302 -29.651 1.00 0.00 N ATOM 424 CA GLN A 35 -12.252 0.581 -31.047 1.00 0.00 C ATOM 425 C GLN A 35 -11.047 1.081 -31.834 1.00 0.00 C ATOM 426 O GLN A 35 -10.883 0.762 -33.012 1.00 0.00 O ATOM 427 CB GLN A 35 -13.369 1.632 -31.110 1.00 0.00 C ATOM 428 CG GLN A 35 -14.781 1.078 -30.978 1.00 0.00 C ATOM 429 CD GLN A 35 -14.945 0.123 -29.820 1.00 0.00 C ATOM 430 OE1 GLN A 35 -15.225 0.528 -28.693 1.00 0.00 O ATOM 431 NE2 GLN A 35 -14.796 -1.161 -30.093 1.00 0.00 N ATOM 0 H GLN A 35 -12.477 0.790 -28.969 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.598 -0.351 -31.493 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.206 2.362 -30.317 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.291 2.167 -32.057 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.479 1.907 -30.857 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.050 0.567 -31.902 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.564 -1.457 -31.041 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.913 -1.856 -29.356 1.00 0.00 H new ATOM 440 N SER A 36 -10.203 1.835 -31.161 1.00 0.00 N ATOM 441 CA SER A 36 -9.045 2.454 -31.771 1.00 0.00 C ATOM 442 C SER A 36 -8.065 1.435 -32.376 1.00 0.00 C ATOM 443 O SER A 36 -7.469 1.692 -33.416 1.00 0.00 O ATOM 444 CB SER A 36 -8.344 3.316 -30.751 1.00 0.00 C ATOM 445 OG SER A 36 -9.254 4.217 -30.138 1.00 0.00 O ATOM 0 H SER A 36 -10.302 2.037 -30.166 1.00 0.00 H new ATOM 0 HA SER A 36 -9.401 3.065 -32.600 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.883 2.685 -29.991 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.541 3.875 -31.231 1.00 0.00 H new ATOM 0 HG SER A 36 -8.778 4.765 -29.479 1.00 0.00 H new ATOM 451 N CYS A 37 -7.901 0.296 -31.729 1.00 0.00 N ATOM 452 CA CYS A 37 -6.997 -0.736 -32.225 1.00 0.00 C ATOM 453 C CYS A 37 -7.695 -2.094 -32.257 1.00 0.00 C ATOM 454 O CYS A 37 -7.070 -3.145 -32.099 1.00 0.00 O ATOM 455 CB CYS A 37 -5.718 -0.783 -31.372 1.00 0.00 C ATOM 456 SG CYS A 37 -5.997 -0.713 -29.586 1.00 0.00 S ATOM 0 H CYS A 37 -8.379 0.058 -30.860 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.710 -0.488 -33.247 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.175 -1.699 -31.606 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.076 0.050 -31.659 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.855 -0.762 -28.966 1.00 0.00 H new ATOM 461 N LYS A 38 -9.001 -2.055 -32.518 1.00 0.00 N ATOM 462 CA LYS A 38 -9.830 -3.261 -32.553 1.00 0.00 C ATOM 463 C LYS A 38 -9.583 -4.062 -33.828 1.00 0.00 C ATOM 464 O LYS A 38 -9.927 -5.242 -33.913 1.00 0.00 O ATOM 465 CB LYS A 38 -11.313 -2.881 -32.444 1.00 0.00 C ATOM 466 CG LYS A 38 -12.017 -3.407 -31.192 1.00 0.00 C ATOM 467 CD LYS A 38 -12.100 -4.925 -31.176 1.00 0.00 C ATOM 468 CE LYS A 38 -12.937 -5.447 -32.335 1.00 0.00 C ATOM 469 NZ LYS A 38 -12.943 -6.923 -32.392 1.00 0.00 N ATOM 0 H LYS A 38 -9.512 -1.193 -32.710 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.557 -3.888 -31.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.398 -1.794 -32.463 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.836 -3.257 -33.323 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.483 -3.064 -30.306 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.022 -2.989 -31.140 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.096 -5.346 -31.231 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.534 -5.257 -30.233 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.960 -5.084 -32.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.547 -5.050 -33.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.524 -7.237 -33.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.970 -7.270 -32.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.339 -7.303 -31.509 1.00 0.00 H new ATOM 528 N CYS A 43 -6.347 -3.666 -40.518 1.00 0.00 N ATOM 529 CA CYS A 43 -7.116 -4.018 -41.689 1.00 0.00 C ATOM 530 C CYS A 43 -8.510 -3.409 -41.607 1.00 0.00 C ATOM 531 O CYS A 43 -8.958 -3.005 -40.529 1.00 0.00 O ATOM 532 CB CYS A 43 -7.194 -5.538 -41.843 1.00 0.00 C ATOM 533 SG CYS A 43 -7.356 -6.098 -43.562 1.00 0.00 S ATOM 0 HA CYS A 43 -6.616 -3.614 -42.569 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.299 -5.983 -41.409 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.044 -5.908 -41.269 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.412 -7.396 -43.592 1.00 0.00 H new ATOM 538 N THR A 44 -9.191 -3.348 -42.733 1.00 0.00 N ATOM 539 CA THR A 44 -10.496 -2.729 -42.800 1.00 0.00 C ATOM 540 C THR A 44 -11.616 -3.715 -42.487 1.00 0.00 C ATOM 541 O THR A 44 -11.459 -4.932 -42.628 1.00 0.00 O ATOM 542 CB THR A 44 -10.739 -2.113 -44.190 1.00 0.00 C ATOM 543 OG1 THR A 44 -10.495 -3.100 -45.201 1.00 0.00 O ATOM 544 CG2 THR A 44 -9.828 -0.917 -44.413 1.00 0.00 C ATOM 0 H THR A 44 -8.857 -3.724 -43.621 1.00 0.00 H new ATOM 0 HA THR A 44 -10.508 -1.945 -42.043 1.00 0.00 H new ATOM 0 HB THR A 44 -11.774 -1.776 -44.247 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.651 -2.708 -46.085 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.015 -0.496 -45.401 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.027 -0.161 -43.653 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.787 -1.235 -44.345 1.00 0.00 H new ATOM 552 N ASP A 45 -12.747 -3.177 -42.066 1.00 0.00 N ATOM 553 CA ASP A 45 -13.928 -3.972 -41.765 1.00 0.00 C ATOM 554 C ASP A 45 -14.585 -4.427 -43.057 1.00 0.00 C ATOM 555 O ASP A 45 -15.303 -5.429 -43.094 1.00 0.00 O ATOM 556 CB ASP A 45 -14.916 -3.147 -40.941 1.00 0.00 C ATOM 557 CG ASP A 45 -16.199 -3.892 -40.645 1.00 0.00 C ATOM 558 OD1 ASP A 45 -16.211 -4.722 -39.713 1.00 0.00 O ATOM 559 OD2 ASP A 45 -17.203 -3.645 -41.337 1.00 0.00 O ATOM 0 H ASP A 45 -12.874 -2.175 -41.922 1.00 0.00 H new ATOM 0 HA ASP A 45 -13.630 -4.848 -41.188 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.445 -2.857 -40.002 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.151 -2.228 -41.478 1.00 0.00 H new ATOM 564 N VAL A 46 -14.313 -3.688 -44.122 1.00 0.00 N ATOM 565 CA VAL A 46 -14.849 -3.991 -45.437 1.00 0.00 C ATOM 566 C VAL A 46 -14.260 -5.306 -45.966 1.00 0.00 C ATOM 567 O VAL A 46 -14.893 -6.019 -46.742 1.00 0.00 O ATOM 568 CB VAL A 46 -14.571 -2.833 -46.426 1.00 0.00 C ATOM 569 CG1 VAL A 46 -15.280 -3.060 -47.750 1.00 0.00 C ATOM 570 CG2 VAL A 46 -15.007 -1.512 -45.808 1.00 0.00 C ATOM 0 H VAL A 46 -13.715 -2.862 -44.097 1.00 0.00 H new ATOM 0 HA VAL A 46 -15.929 -4.107 -45.347 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.500 -2.799 -46.625 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.066 -2.231 -48.424 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.928 -3.990 -48.196 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -16.355 -3.122 -47.581 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.809 -0.700 -46.508 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -16.074 -1.548 -45.586 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.451 -1.340 -44.887 1.00 0.00 H new ATOM 580 N CYS A 47 -13.061 -5.627 -45.518 1.00 0.00 N ATOM 581 CA CYS A 47 -12.433 -6.883 -45.882 1.00 0.00 C ATOM 582 C CYS A 47 -13.026 -8.010 -45.031 1.00 0.00 C ATOM 583 O CYS A 47 -13.129 -9.155 -45.464 1.00 0.00 O ATOM 584 CB CYS A 47 -10.914 -6.794 -45.679 1.00 0.00 C ATOM 585 SG CYS A 47 -10.004 -8.288 -46.140 1.00 0.00 S ATOM 0 H CYS A 47 -12.503 -5.036 -44.902 1.00 0.00 H new ATOM 0 HA CYS A 47 -12.623 -7.094 -46.934 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.531 -5.957 -46.262 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.713 -6.571 -44.631 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.800 -9.314 -46.087 1.00 0.00 H new ATOM 590 N LYS A 48 -13.452 -7.656 -43.819 1.00 0.00 N ATOM 591 CA LYS A 48 -14.038 -8.615 -42.885 1.00 0.00 C ATOM 592 C LYS A 48 -15.497 -8.912 -43.225 1.00 0.00 C ATOM 593 O LYS A 48 -16.171 -9.669 -42.519 1.00 0.00 O ATOM 594 CB LYS A 48 -13.919 -8.081 -41.467 1.00 0.00 C ATOM 595 CG LYS A 48 -12.496 -7.754 -41.100 1.00 0.00 C ATOM 596 CD LYS A 48 -12.384 -7.111 -39.738 1.00 0.00 C ATOM 597 CE LYS A 48 -10.930 -6.804 -39.423 1.00 0.00 C ATOM 598 NZ LYS A 48 -10.103 -8.041 -39.361 1.00 0.00 N ATOM 0 H LYS A 48 -13.401 -6.703 -43.459 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.489 -9.553 -42.967 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.534 -7.187 -41.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.312 -8.819 -40.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.901 -8.667 -41.118 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.075 -7.084 -41.850 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.971 -6.193 -39.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.796 -7.776 -38.979 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.527 -6.135 -40.184 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.868 -6.278 -38.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.201 -7.832 -38.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.613 -8.773 -38.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.917 -8.383 -40.325 1.00 0.00 H new ATOM 612 N GLN A 49 -15.978 -8.310 -44.301 1.00 0.00 N ATOM 613 CA GLN A 49 -17.335 -8.543 -44.773 1.00 0.00 C ATOM 614 C GLN A 49 -17.479 -9.980 -45.257 1.00 0.00 C ATOM 615 O GLN A 49 -16.485 -10.662 -45.517 1.00 0.00 O ATOM 616 CB GLN A 49 -17.668 -7.600 -45.923 1.00 0.00 C ATOM 617 CG GLN A 49 -17.685 -6.137 -45.551 1.00 0.00 C ATOM 618 CD GLN A 49 -18.900 -5.739 -44.754 1.00 0.00 C ATOM 619 OE1 GLN A 49 -19.973 -6.323 -44.893 1.00 0.00 O ATOM 620 NE2 GLN A 49 -18.740 -4.743 -43.904 1.00 0.00 N ATOM 0 H GLN A 49 -15.445 -7.651 -44.868 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.020 -8.361 -43.945 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.941 -7.750 -46.721 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -18.644 -7.870 -46.326 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.789 -5.905 -44.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.643 -5.537 -46.460 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.832 -4.285 -43.820 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.524 -4.431 -43.331 1.00 0.00 H new ATOM 629 N THR A 50 -18.701 -10.438 -45.362 1.00 0.00 N ATOM 630 CA THR A 50 -18.981 -11.766 -45.869 1.00 0.00 C ATOM 631 C THR A 50 -20.336 -11.769 -46.580 1.00 0.00 C ATOM 632 O THR A 50 -21.386 -11.730 -45.928 1.00 0.00 O ATOM 633 CB THR A 50 -18.964 -12.824 -44.744 1.00 0.00 C ATOM 634 OG1 THR A 50 -17.707 -12.758 -44.053 1.00 0.00 O ATOM 635 CG2 THR A 50 -19.153 -14.223 -45.316 1.00 0.00 C ATOM 0 H THR A 50 -19.531 -9.906 -45.100 1.00 0.00 H new ATOM 0 HA THR A 50 -18.195 -12.031 -46.577 1.00 0.00 H new ATOM 0 HB THR A 50 -19.783 -12.617 -44.055 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.692 -13.427 -43.337 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.138 -14.952 -44.506 1.00 0.00 H new ATOM 0 HG22 THR A 50 -20.110 -14.278 -45.835 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.347 -14.442 -46.016 1.00 0.00 H new ATOM 643 N PRO A 51 -20.341 -11.783 -47.932 1.00 0.00 N ATOM 644 CA PRO A 51 -19.116 -11.826 -48.759 1.00 0.00 C ATOM 645 C PRO A 51 -18.284 -10.562 -48.613 1.00 0.00 C ATOM 646 O PRO A 51 -18.793 -9.520 -48.183 1.00 0.00 O ATOM 647 CB PRO A 51 -19.656 -11.943 -50.187 1.00 0.00 C ATOM 648 CG PRO A 51 -21.019 -11.363 -50.114 1.00 0.00 C ATOM 649 CD PRO A 51 -21.543 -11.728 -48.757 1.00 0.00 C ATOM 0 HA PRO A 51 -18.455 -12.643 -48.470 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -19.030 -11.399 -50.894 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -19.683 -12.981 -50.518 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.992 -10.281 -50.245 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -21.658 -11.764 -50.901 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -22.250 -10.986 -48.387 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -22.064 -12.685 -48.772 1.00 0.00 H new ATOM 657 N CYS A 52 -17.019 -10.657 -48.970 1.00 0.00 N ATOM 658 CA CYS A 52 -16.089 -9.554 -48.814 1.00 0.00 C ATOM 659 C CYS A 52 -16.571 -8.302 -49.532 1.00 0.00 C ATOM 660 O CYS A 52 -17.129 -8.375 -50.629 1.00 0.00 O ATOM 661 CB CYS A 52 -14.726 -9.938 -49.327 1.00 0.00 C ATOM 662 SG CYS A 52 -13.449 -8.751 -48.915 1.00 0.00 S ATOM 0 H CYS A 52 -16.607 -11.497 -49.375 1.00 0.00 H new ATOM 0 HA CYS A 52 -16.028 -9.331 -47.749 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -14.453 -10.911 -48.918 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -14.772 -10.049 -50.410 1.00 0.00 H new ATOM 0 HG CYS A 52 -12.309 -9.157 -49.390 1.00 0.00 H new ATOM 667 N GLY A 53 -16.330 -7.158 -48.920 1.00 0.00 N ATOM 668 CA GLY A 53 -16.779 -5.919 -49.484 1.00 0.00 C ATOM 669 C GLY A 53 -15.720 -5.244 -50.315 1.00 0.00 C ATOM 670 O GLY A 53 -16.008 -4.287 -51.027 1.00 0.00 O ATOM 0 H GLY A 53 -15.827 -7.070 -48.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.658 -6.103 -50.102 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.088 -5.249 -48.681 1.00 0.00 H new ATOM 674 N CYS A 54 -14.487 -5.739 -50.242 1.00 0.00 N ATOM 675 CA CYS A 54 -13.396 -5.175 -51.033 1.00 0.00 C ATOM 676 C CYS A 54 -13.635 -5.406 -52.527 1.00 0.00 C ATOM 677 O CYS A 54 -12.964 -4.821 -53.376 1.00 0.00 O ATOM 678 CB CYS A 54 -12.056 -5.773 -50.624 1.00 0.00 C ATOM 679 SG CYS A 54 -11.445 -5.238 -49.012 1.00 0.00 S ATOM 0 H CYS A 54 -14.219 -6.524 -49.648 1.00 0.00 H new ATOM 0 HA CYS A 54 -13.369 -4.102 -50.841 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -12.146 -6.859 -50.620 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -11.314 -5.517 -51.381 1.00 0.00 H new ATOM 0 HG CYS A 54 -10.303 -5.810 -48.769 1.00 0.00 H new ATOM 684 N ALA A 55 -14.592 -6.267 -52.833 1.00 0.00 N ATOM 685 CA ALA A 55 -14.966 -6.560 -54.202 1.00 0.00 C ATOM 686 C ALA A 55 -16.286 -5.882 -54.533 1.00 0.00 C ATOM 687 O ALA A 55 -16.940 -6.209 -55.521 1.00 0.00 O ATOM 688 CB ALA A 55 -15.086 -8.057 -54.390 1.00 0.00 C ATOM 0 H ALA A 55 -15.131 -6.782 -52.136 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.197 -6.180 -54.874 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.367 -8.273 -55.421 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.129 -8.529 -54.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.848 -8.448 -53.716 1.00 0.00 H new ATOM 694 N THR A 56 -16.676 -4.951 -53.695 1.00 0.00 N ATOM 695 CA THR A 56 -17.928 -4.241 -53.873 1.00 0.00 C ATOM 696 C THR A 56 -17.772 -2.732 -53.623 1.00 0.00 C ATOM 697 O THR A 56 -18.341 -1.914 -54.346 1.00 0.00 O ATOM 698 CB THR A 56 -19.009 -4.823 -52.937 1.00 0.00 C ATOM 699 OG1 THR A 56 -19.155 -6.225 -53.205 1.00 0.00 O ATOM 700 CG2 THR A 56 -20.349 -4.127 -53.136 1.00 0.00 C ATOM 0 H THR A 56 -16.142 -4.663 -52.875 1.00 0.00 H new ATOM 0 HA THR A 56 -18.236 -4.375 -54.910 1.00 0.00 H new ATOM 0 HB THR A 56 -18.695 -4.663 -51.906 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.839 -6.602 -52.613 1.00 0.00 H new ATOM 0 HG21 THR A 56 -21.088 -4.561 -52.462 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.242 -3.064 -52.922 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.677 -4.258 -54.167 1.00 0.00 H new ATOM 708 N SER A 57 -16.989 -2.369 -52.623 1.00 0.00 N ATOM 709 CA SER A 57 -16.802 -0.967 -52.280 1.00 0.00 C ATOM 710 C SER A 57 -15.346 -0.548 -52.430 1.00 0.00 C ATOM 711 O SER A 57 -14.896 0.403 -51.790 1.00 0.00 O ATOM 712 CB SER A 57 -17.282 -0.709 -50.851 1.00 0.00 C ATOM 713 OG SER A 57 -18.674 -0.959 -50.730 1.00 0.00 O ATOM 0 H SER A 57 -16.473 -3.022 -52.034 1.00 0.00 H new ATOM 0 HA SER A 57 -17.394 -0.368 -52.972 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.733 -1.346 -50.158 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.068 0.323 -50.572 1.00 0.00 H new ATOM 0 HG SER A 57 -18.958 -0.789 -49.808 1.00 0.00 H new ATOM 719 N GLY A 58 -14.622 -1.237 -53.290 1.00 0.00 N ATOM 720 CA GLY A 58 -13.231 -0.919 -53.488 1.00 0.00 C ATOM 721 C GLY A 58 -12.349 -1.681 -52.537 1.00 0.00 C ATOM 722 O GLY A 58 -12.832 -2.258 -51.565 1.00 0.00 O ATOM 0 H GLY A 58 -14.973 -2.011 -53.854 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.947 -1.151 -54.514 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.078 0.151 -53.349 1.00 0.00 H new ATOM 726 N CYS A 59 -11.068 -1.684 -52.801 1.00 0.00 N ATOM 727 CA CYS A 59 -10.135 -2.418 -51.985 1.00 0.00 C ATOM 728 C CYS A 59 -9.195 -1.468 -51.248 1.00 0.00 C ATOM 729 O CYS A 59 -8.755 -0.460 -51.806 1.00 0.00 O ATOM 730 CB CYS A 59 -9.342 -3.380 -52.857 1.00 0.00 C ATOM 731 SG CYS A 59 -8.271 -4.486 -51.938 1.00 0.00 S ATOM 0 H CYS A 59 -10.644 -1.182 -53.581 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.691 -2.986 -51.239 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.038 -3.974 -53.450 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.737 -2.804 -53.558 1.00 0.00 H new ATOM 0 HG CYS A 59 -7.129 -3.903 -51.721 1.00 0.00 H new ATOM 736 N ASN A 60 -8.888 -1.791 -49.998 1.00 0.00 N ATOM 737 CA ASN A 60 -8.014 -0.948 -49.183 1.00 0.00 C ATOM 738 C ASN A 60 -6.654 -1.587 -48.958 1.00 0.00 C ATOM 739 O ASN A 60 -5.636 -0.895 -48.913 1.00 0.00 O ATOM 740 CB ASN A 60 -8.658 -0.631 -47.831 1.00 0.00 C ATOM 741 CG ASN A 60 -9.792 0.364 -47.938 1.00 0.00 C ATOM 742 OD1 ASN A 60 -10.953 -0.011 -48.097 1.00 0.00 O ATOM 743 ND2 ASN A 60 -9.465 1.636 -47.837 1.00 0.00 N ATOM 0 H ASN A 60 -9.229 -2.628 -49.525 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.869 -0.022 -49.739 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.032 -1.554 -47.387 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.898 -0.237 -47.156 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.187 2.354 -47.890 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.489 1.903 -47.706 1.00 0.00 H new ATOM 750 N CYS A 61 -6.633 -2.897 -48.811 1.00 0.00 N ATOM 751 CA CYS A 61 -5.397 -3.610 -48.556 1.00 0.00 C ATOM 752 C CYS A 61 -4.771 -4.116 -49.862 1.00 0.00 C ATOM 753 O CYS A 61 -5.085 -3.608 -50.943 1.00 0.00 O ATOM 754 CB CYS A 61 -5.655 -4.747 -47.571 1.00 0.00 C ATOM 755 SG CYS A 61 -7.100 -5.735 -47.958 1.00 0.00 S ATOM 0 H CYS A 61 -7.461 -3.491 -48.864 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.677 -2.926 -48.108 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.780 -5.397 -47.545 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.771 -4.328 -46.571 1.00 0.00 H new ATOM 0 HG CYS A 61 -7.235 -6.674 -47.069 1.00 0.00 H new ATOM 760 N THR A 62 -3.881 -5.098 -49.771 1.00 0.00 N ATOM 761 CA THR A 62 -3.178 -5.585 -50.944 1.00 0.00 C ATOM 762 C THR A 62 -3.399 -7.076 -51.178 1.00 0.00 C ATOM 763 O THR A 62 -4.073 -7.751 -50.398 1.00 0.00 O ATOM 764 CB THR A 62 -1.669 -5.320 -50.822 1.00 0.00 C ATOM 765 OG1 THR A 62 -1.174 -5.899 -49.605 1.00 0.00 O ATOM 766 CG2 THR A 62 -1.380 -3.828 -50.834 1.00 0.00 C ATOM 0 H THR A 62 -3.633 -5.568 -48.900 1.00 0.00 H new ATOM 0 HA THR A 62 -3.587 -5.040 -51.795 1.00 0.00 H new ATOM 0 HB THR A 62 -1.167 -5.776 -51.676 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.786 -5.196 -49.042 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.306 -3.665 -50.747 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.738 -3.396 -51.768 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.889 -3.352 -49.996 1.00 0.00 H new ATOM 774 N ASP A 63 -2.794 -7.577 -52.257 1.00 0.00 N ATOM 775 CA ASP A 63 -2.862 -8.997 -52.646 1.00 0.00 C ATOM 776 C ASP A 63 -2.074 -9.875 -51.646 1.00 0.00 C ATOM 777 O ASP A 63 -2.052 -11.096 -51.742 1.00 0.00 O ATOM 778 CB ASP A 63 -2.296 -9.142 -54.080 1.00 0.00 C ATOM 779 CG ASP A 63 -2.345 -10.557 -54.639 1.00 0.00 C ATOM 780 OD1 ASP A 63 -1.295 -11.246 -54.630 1.00 0.00 O ATOM 781 OD2 ASP A 63 -3.418 -10.963 -55.122 1.00 0.00 O ATOM 0 H ASP A 63 -2.237 -7.008 -52.894 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.898 -9.337 -52.629 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.854 -8.483 -54.745 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.261 -8.799 -54.085 1.00 0.00 H new ATOM 786 N ASP A 64 -1.443 -9.222 -50.675 1.00 0.00 N ATOM 787 CA ASP A 64 -0.665 -9.911 -49.642 1.00 0.00 C ATOM 788 C ASP A 64 -1.574 -10.450 -48.542 1.00 0.00 C ATOM 789 O ASP A 64 -1.214 -11.385 -47.829 1.00 0.00 O ATOM 790 CB ASP A 64 0.371 -8.952 -49.032 1.00 0.00 C ATOM 791 CG ASP A 64 1.141 -9.555 -47.861 1.00 0.00 C ATOM 792 OD1 ASP A 64 0.657 -9.464 -46.708 1.00 0.00 O ATOM 793 OD2 ASP A 64 2.241 -10.104 -48.087 1.00 0.00 O ATOM 0 H ASP A 64 -1.454 -8.207 -50.579 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.151 -10.751 -50.110 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.078 -8.653 -49.806 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.136 -8.047 -48.696 1.00 0.00 H new ATOM 798 N CYS A 65 -2.758 -9.866 -48.418 1.00 0.00 N ATOM 799 CA CYS A 65 -3.693 -10.256 -47.369 1.00 0.00 C ATOM 800 C CYS A 65 -4.137 -11.711 -47.550 1.00 0.00 C ATOM 801 O CYS A 65 -4.164 -12.226 -48.671 1.00 0.00 O ATOM 802 CB CYS A 65 -4.907 -9.319 -47.352 1.00 0.00 C ATOM 803 SG CYS A 65 -5.857 -9.357 -45.803 1.00 0.00 S ATOM 0 H CYS A 65 -3.094 -9.122 -49.029 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.182 -10.173 -46.410 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.567 -8.299 -47.531 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.568 -9.584 -48.177 1.00 0.00 H new ATOM 0 HG CYS A 65 -6.858 -8.532 -45.887 1.00 0.00 H new ATOM 808 N LYS A 66 -4.483 -12.370 -46.440 1.00 0.00 N ATOM 809 CA LYS A 66 -4.898 -13.779 -46.462 1.00 0.00 C ATOM 810 C LYS A 66 -6.167 -13.969 -47.274 1.00 0.00 C ATOM 811 O LYS A 66 -6.469 -15.071 -47.727 1.00 0.00 O ATOM 812 CB LYS A 66 -5.153 -14.295 -45.044 1.00 0.00 C ATOM 813 CG LYS A 66 -6.422 -13.735 -44.410 1.00 0.00 C ATOM 814 CD LYS A 66 -6.921 -14.620 -43.285 1.00 0.00 C ATOM 815 CE LYS A 66 -5.927 -14.667 -42.133 1.00 0.00 C ATOM 816 NZ LYS A 66 -6.494 -15.332 -40.935 1.00 0.00 N ATOM 0 H LYS A 66 -4.484 -11.950 -45.511 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.085 -14.340 -46.922 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.218 -15.383 -45.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.300 -14.041 -44.415 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.226 -12.734 -44.027 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.198 -13.640 -45.170 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.880 -14.248 -42.925 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.092 -15.628 -43.662 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.029 -15.197 -42.451 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.624 -13.652 -41.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.784 -15.342 -40.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.336 -14.812 -40.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.760 -16.309 -41.173 1.00 0.00 H new ATOM 830 N CYS A 67 -6.911 -12.899 -47.443 1.00 0.00 N ATOM 831 CA CYS A 67 -8.168 -12.971 -48.118 1.00 0.00 C ATOM 832 C CYS A 67 -7.983 -13.118 -49.620 1.00 0.00 C ATOM 833 O CYS A 67 -7.355 -12.288 -50.271 1.00 0.00 O ATOM 834 CB CYS A 67 -9.012 -11.755 -47.797 1.00 0.00 C ATOM 835 SG CYS A 67 -10.753 -11.987 -48.161 1.00 0.00 S ATOM 0 H CYS A 67 -6.657 -11.967 -47.116 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.690 -13.859 -47.762 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.898 -11.510 -46.741 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.639 -10.902 -48.364 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.408 -10.905 -47.858 1.00 0.00 H new ATOM 840 N GLN A 68 -8.542 -14.179 -50.159 1.00 0.00 N ATOM 841 CA GLN A 68 -8.451 -14.479 -51.576 1.00 0.00 C ATOM 842 C GLN A 68 -9.673 -13.941 -52.310 1.00 0.00 C ATOM 843 O GLN A 68 -9.904 -14.255 -53.475 1.00 0.00 O ATOM 844 CB GLN A 68 -8.351 -15.990 -51.768 1.00 0.00 C ATOM 845 CG GLN A 68 -7.144 -16.611 -51.088 1.00 0.00 C ATOM 846 CD GLN A 68 -7.236 -18.117 -51.004 1.00 0.00 C ATOM 847 OE1 GLN A 68 -6.812 -18.831 -51.917 1.00 0.00 O ATOM 848 NE2 GLN A 68 -7.780 -18.615 -49.915 1.00 0.00 N ATOM 0 H GLN A 68 -9.077 -14.864 -49.625 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.562 -14.000 -51.986 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.256 -16.458 -51.381 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.310 -16.210 -52.835 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.242 -16.336 -51.634 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.046 -16.200 -50.083 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.119 -17.991 -49.183 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.863 -19.625 -49.803 1.00 0.00 H new ATOM 857 N SER A 69 -10.451 -13.129 -51.617 1.00 0.00 N ATOM 858 CA SER A 69 -11.658 -12.565 -52.184 1.00 0.00 C ATOM 859 C SER A 69 -11.351 -11.306 -53.004 1.00 0.00 C ATOM 860 O SER A 69 -11.865 -11.135 -54.108 1.00 0.00 O ATOM 861 CB SER A 69 -12.655 -12.252 -51.072 1.00 0.00 C ATOM 862 OG SER A 69 -12.887 -13.402 -50.260 1.00 0.00 O ATOM 0 H SER A 69 -10.265 -12.845 -50.655 1.00 0.00 H new ATOM 0 HA SER A 69 -12.097 -13.299 -52.860 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.275 -11.437 -50.456 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.595 -11.912 -51.506 1.00 0.00 H new ATOM 0 HG SER A 69 -12.342 -13.344 -49.447 1.00 0.00 H new ATOM 868 N CYS A 70 -10.516 -10.435 -52.462 1.00 0.00 N ATOM 869 CA CYS A 70 -10.147 -9.206 -53.149 1.00 0.00 C ATOM 870 C CYS A 70 -8.836 -9.361 -53.914 1.00 0.00 C ATOM 871 O CYS A 70 -8.609 -8.679 -54.924 1.00 0.00 O ATOM 872 CB CYS A 70 -10.055 -8.065 -52.152 1.00 0.00 C ATOM 873 SG CYS A 70 -9.259 -8.521 -50.598 1.00 0.00 S ATOM 0 H CYS A 70 -10.080 -10.555 -51.548 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.923 -8.980 -53.880 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.502 -7.242 -52.605 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.059 -7.697 -51.941 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.222 -7.488 -49.810 1.00 0.00 H new ATOM 878 N SER A 71 -7.982 -10.257 -53.437 1.00 0.00 N ATOM 879 CA SER A 71 -6.698 -10.522 -54.077 1.00 0.00 C ATOM 880 C SER A 71 -6.894 -11.073 -55.499 1.00 0.00 C ATOM 881 O SER A 71 -8.020 -11.403 -55.901 1.00 0.00 O ATOM 882 CB SER A 71 -5.881 -11.485 -53.219 1.00 0.00 C ATOM 883 OG SER A 71 -5.704 -10.955 -51.911 1.00 0.00 O ATOM 0 H SER A 71 -8.156 -10.817 -52.603 1.00 0.00 H new ATOM 0 HA SER A 71 -6.149 -9.584 -54.165 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.386 -12.449 -53.162 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.910 -11.660 -53.682 1.00 0.00 H new ATOM 0 HG SER A 71 -6.224 -11.484 -51.271 1.00 0.00 H new ATOM 889 N THR A 72 -5.816 -11.176 -56.245 1.00 0.00 N ATOM 890 CA THR A 72 -5.896 -11.601 -57.621 1.00 0.00 C ATOM 891 C THR A 72 -5.534 -13.092 -57.763 1.00 0.00 C ATOM 892 O THR A 72 -5.334 -13.795 -56.770 1.00 0.00 O ATOM 893 CB THR A 72 -4.984 -10.722 -58.527 1.00 0.00 C ATOM 894 OG1 THR A 72 -5.334 -10.889 -59.910 1.00 0.00 O ATOM 895 CG2 THR A 72 -3.520 -11.067 -58.333 1.00 0.00 C ATOM 0 H THR A 72 -4.872 -10.970 -55.918 1.00 0.00 H new ATOM 0 HA THR A 72 -6.927 -11.473 -57.951 1.00 0.00 H new ATOM 0 HB THR A 72 -5.140 -9.683 -58.237 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.752 -10.328 -60.465 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.909 -10.437 -58.979 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.241 -10.899 -57.293 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.356 -12.114 -58.588 1.00 0.00 H new ATOM 903 N ALA A 73 -5.461 -13.562 -58.996 1.00 0.00 N ATOM 904 CA ALA A 73 -5.169 -14.952 -59.274 1.00 0.00 C ATOM 905 C ALA A 73 -3.890 -15.077 -60.091 1.00 0.00 C ATOM 906 O ALA A 73 -3.465 -14.123 -60.742 1.00 0.00 O ATOM 907 CB ALA A 73 -6.336 -15.584 -60.017 1.00 0.00 C ATOM 0 H ALA A 73 -5.603 -12.990 -59.829 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.023 -15.477 -58.330 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.112 -16.630 -60.224 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.235 -15.520 -59.404 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.499 -15.055 -60.956 1.00 0.00 H new ATOM 913 N CYS A 74 -3.274 -16.248 -60.049 1.00 0.00 N ATOM 914 CA CYS A 74 -2.068 -16.490 -60.816 1.00 0.00 C ATOM 915 C CYS A 74 -2.450 -16.998 -62.203 1.00 0.00 C ATOM 916 O CYS A 74 -3.452 -17.695 -62.358 1.00 0.00 O ATOM 917 CB CYS A 74 -1.164 -17.497 -60.103 1.00 0.00 C ATOM 918 SG CYS A 74 0.607 -17.137 -60.260 1.00 0.00 S ATOM 0 H CYS A 74 -3.590 -17.042 -59.493 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.512 -15.557 -60.913 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.427 -17.521 -59.046 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.359 -18.492 -60.503 1.00 0.00 H new ATOM 0 HG CYS A 74 1.279 -18.250 -60.244 1.00 0.00 H new ATOM 923 N LYS A 75 -1.654 -16.659 -63.203 1.00 0.00 N ATOM 924 CA LYS A 75 -1.980 -17.014 -64.584 1.00 0.00 C ATOM 925 C LYS A 75 -1.324 -18.328 -65.018 1.00 0.00 C ATOM 926 O LYS A 75 -1.233 -18.622 -66.213 1.00 0.00 O ATOM 927 CB LYS A 75 -1.574 -15.886 -65.538 1.00 0.00 C ATOM 928 CG LYS A 75 -2.145 -14.510 -65.179 1.00 0.00 C ATOM 929 CD LYS A 75 -3.682 -14.498 -65.068 1.00 0.00 C ATOM 930 CE LYS A 75 -4.382 -14.700 -66.412 1.00 0.00 C ATOM 931 NZ LYS A 75 -4.438 -16.124 -66.823 1.00 0.00 N ATOM 0 H LYS A 75 -0.782 -16.142 -63.091 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.060 -17.157 -64.629 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.486 -15.819 -65.559 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.896 -16.147 -66.546 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.717 -14.182 -64.232 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.837 -13.788 -65.935 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.997 -15.282 -64.380 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.002 -13.549 -64.638 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.396 -14.304 -66.352 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.861 -14.126 -67.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.322 -16.301 -67.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.627 -16.340 -67.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.404 -16.731 -65.979 1.00 0.00 H new ATOM 945 N CYS A 76 -0.878 -19.109 -64.059 1.00 0.00 N ATOM 946 CA CYS A 76 -0.260 -20.398 -64.349 1.00 0.00 C ATOM 947 C CYS A 76 -1.304 -21.494 -64.494 1.00 0.00 C ATOM 948 O CYS A 76 -2.463 -21.316 -64.112 1.00 0.00 O ATOM 949 CB CYS A 76 0.732 -20.776 -63.259 1.00 0.00 C ATOM 950 SG CYS A 76 2.220 -19.781 -63.244 1.00 0.00 S ATOM 0 H CYS A 76 -0.929 -18.879 -63.067 1.00 0.00 H new ATOM 0 HA CYS A 76 0.270 -20.299 -65.297 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.240 -20.689 -62.290 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.010 -21.823 -63.383 1.00 0.00 H new ATOM 0 HG CYS A 76 3.007 -20.192 -62.295 1.00 0.00 H new ATOM 955 N ALA A 77 -0.890 -22.625 -65.036 1.00 0.00 N ATOM 956 CA ALA A 77 -1.774 -23.756 -65.210 1.00 0.00 C ATOM 957 C ALA A 77 -1.169 -24.981 -64.563 1.00 0.00 C ATOM 958 O ALA A 77 -0.046 -24.926 -64.047 1.00 0.00 O ATOM 959 CB ALA A 77 -2.026 -24.010 -66.684 1.00 0.00 C ATOM 0 H ALA A 77 0.063 -22.782 -65.365 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.728 -23.535 -64.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.693 -24.865 -66.797 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.486 -23.129 -67.132 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.080 -24.219 -67.184 1.00 0.00 H new ATOM 965 N ALA A 78 -1.890 -26.085 -64.599 1.00 0.00 N ATOM 966 CA ALA A 78 -1.421 -27.313 -63.995 1.00 0.00 C ATOM 967 C ALA A 78 -0.195 -27.855 -64.727 1.00 0.00 C ATOM 968 O ALA A 78 -0.308 -28.502 -65.765 1.00 0.00 O ATOM 969 CB ALA A 78 -2.534 -28.350 -63.957 1.00 0.00 C ATOM 0 H ALA A 78 -2.806 -26.155 -65.042 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.124 -27.093 -62.970 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.162 -29.267 -63.499 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.370 -27.966 -63.372 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.869 -28.562 -64.972 1.00 0.00 H new ATOM 975 N GLY A 79 0.971 -27.528 -64.210 1.00 0.00 N ATOM 976 CA GLY A 79 2.207 -28.018 -64.778 1.00 0.00 C ATOM 977 C GLY A 79 2.954 -26.945 -65.534 1.00 0.00 C ATOM 978 O GLY A 79 3.844 -27.242 -66.331 1.00 0.00 O ATOM 0 H GLY A 79 1.088 -26.924 -63.396 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.841 -28.407 -63.982 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.992 -28.850 -65.449 1.00 0.00 H new ATOM 982 N SER A 80 2.601 -25.699 -65.289 1.00 0.00 N ATOM 983 CA SER A 80 3.230 -24.594 -65.961 1.00 0.00 C ATOM 984 C SER A 80 3.335 -23.383 -65.043 1.00 0.00 C ATOM 985 O SER A 80 2.330 -22.852 -64.593 1.00 0.00 O ATOM 986 CB SER A 80 2.432 -24.245 -67.212 1.00 0.00 C ATOM 987 OG SER A 80 1.066 -24.062 -66.904 1.00 0.00 O ATOM 0 H SER A 80 1.876 -25.432 -64.623 1.00 0.00 H new ATOM 0 HA SER A 80 4.242 -24.884 -66.244 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.832 -23.336 -67.662 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.539 -25.040 -67.950 1.00 0.00 H new ATOM 0 HG SER A 80 0.747 -23.231 -67.313 1.00 0.00 H new ATOM 993 N CYS A 81 4.554 -22.977 -64.752 1.00 0.00 N ATOM 994 CA CYS A 81 4.804 -21.811 -63.936 1.00 0.00 C ATOM 995 C CYS A 81 5.560 -20.756 -64.739 1.00 0.00 C ATOM 996 O CYS A 81 6.741 -20.931 -65.031 1.00 0.00 O ATOM 997 CB CYS A 81 5.625 -22.195 -62.705 1.00 0.00 C ATOM 998 SG CYS A 81 4.745 -23.181 -61.465 1.00 0.00 S ATOM 0 H CYS A 81 5.399 -23.448 -65.076 1.00 0.00 H new ATOM 0 HA CYS A 81 3.845 -21.402 -63.617 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.502 -22.753 -63.033 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.986 -21.283 -62.230 1.00 0.00 H new ATOM 0 HG CYS A 81 5.217 -24.392 -61.459 1.00 0.00 H new ATOM 1003 N LYS A 82 4.882 -19.666 -65.106 1.00 0.00 N ATOM 1004 CA LYS A 82 5.542 -18.593 -65.857 1.00 0.00 C ATOM 1005 C LYS A 82 6.565 -17.899 -64.988 1.00 0.00 C ATOM 1006 O LYS A 82 7.705 -17.671 -65.401 1.00 0.00 O ATOM 1007 CB LYS A 82 4.544 -17.556 -66.403 1.00 0.00 C ATOM 1008 CG LYS A 82 3.692 -18.025 -67.575 1.00 0.00 C ATOM 1009 CD LYS A 82 2.367 -18.594 -67.118 1.00 0.00 C ATOM 1010 CE LYS A 82 1.514 -19.043 -68.298 1.00 0.00 C ATOM 1011 NZ LYS A 82 2.168 -20.118 -69.092 1.00 0.00 N ATOM 0 H LYS A 82 3.896 -19.503 -64.901 1.00 0.00 H new ATOM 0 HA LYS A 82 6.033 -19.061 -66.710 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.881 -17.252 -65.592 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.099 -16.669 -66.710 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.514 -17.189 -68.252 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.237 -18.782 -68.140 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.543 -19.439 -66.453 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.827 -17.843 -66.542 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.551 -19.399 -67.932 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.313 -18.188 -68.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.478 -20.530 -69.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.964 -19.718 -69.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.519 -20.858 -68.451 1.00 0.00 H new ATOM 1025 N CYS A 83 6.150 -17.563 -63.795 1.00 0.00 N ATOM 1026 CA CYS A 83 7.012 -16.927 -62.836 1.00 0.00 C ATOM 1027 C CYS A 83 8.066 -17.926 -62.344 1.00 0.00 C ATOM 1028 O CYS A 83 9.245 -17.589 -62.197 1.00 0.00 O ATOM 1029 CB CYS A 83 6.164 -16.439 -61.683 1.00 0.00 C ATOM 1030 SG CYS A 83 5.096 -17.726 -61.019 1.00 0.00 S ATOM 0 H CYS A 83 5.200 -17.724 -63.460 1.00 0.00 H new ATOM 0 HA CYS A 83 7.530 -16.083 -63.292 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.813 -16.066 -60.891 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.553 -15.600 -62.016 1.00 0.00 H new ATOM 0 HG CYS A 83 4.398 -17.245 -60.033 1.00 0.00 H new ATOM 1035 N GLY A 84 7.627 -19.160 -62.106 1.00 0.00 N ATOM 1036 CA GLY A 84 8.531 -20.208 -61.668 1.00 0.00 C ATOM 1037 C GLY A 84 8.521 -20.429 -60.163 1.00 0.00 C ATOM 1038 O GLY A 84 9.530 -20.831 -59.584 1.00 0.00 O ATOM 0 H GLY A 84 6.655 -19.453 -62.210 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.262 -21.140 -62.166 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.544 -19.958 -61.984 1.00 0.00 H new ATOM 1042 N LYS A 85 7.384 -20.185 -59.528 1.00 0.00 N ATOM 1043 CA LYS A 85 7.259 -20.357 -58.109 1.00 0.00 C ATOM 1044 C LYS A 85 6.926 -21.812 -57.767 1.00 0.00 C ATOM 1045 O LYS A 85 7.428 -22.362 -56.787 1.00 0.00 O ATOM 1046 CB LYS A 85 6.176 -19.419 -57.591 1.00 0.00 C ATOM 1047 CG LYS A 85 5.477 -19.918 -56.357 1.00 0.00 C ATOM 1048 CD LYS A 85 6.291 -19.684 -55.072 1.00 0.00 C ATOM 1049 CE LYS A 85 6.356 -18.199 -54.735 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.109 -17.939 -53.488 1.00 0.00 N ATOM 0 H LYS A 85 6.533 -19.864 -59.989 1.00 0.00 H new ATOM 0 HA LYS A 85 8.207 -20.115 -57.629 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.622 -18.448 -57.376 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.437 -19.263 -58.377 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.512 -19.420 -56.266 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.276 -20.984 -56.465 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.838 -20.230 -54.245 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.300 -20.077 -55.198 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.825 -17.662 -55.559 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.344 -17.807 -54.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.126 -16.916 -53.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.648 -18.429 -52.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.083 -18.289 -53.591 1.00 0.00 H new ATOM 1064 N GLY A 86 6.082 -22.423 -58.581 1.00 0.00 N ATOM 1065 CA GLY A 86 5.689 -23.796 -58.341 1.00 0.00 C ATOM 1066 C GLY A 86 4.231 -23.911 -57.948 1.00 0.00 C ATOM 1067 O GLY A 86 3.761 -24.985 -57.580 1.00 0.00 O ATOM 0 H GLY A 86 5.661 -21.993 -59.405 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.870 -24.387 -59.239 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.311 -24.218 -57.552 1.00 0.00 H new ATOM 1071 N CYS A 87 3.518 -22.803 -58.037 1.00 0.00 N ATOM 1072 CA CYS A 87 2.105 -22.753 -57.689 1.00 0.00 C ATOM 1073 C CYS A 87 1.258 -23.445 -58.750 1.00 0.00 C ATOM 1074 O CYS A 87 0.253 -24.080 -58.438 1.00 0.00 O ATOM 1075 CB CYS A 87 1.685 -21.305 -57.534 1.00 0.00 C ATOM 1076 SG CYS A 87 2.452 -20.216 -58.751 1.00 0.00 S ATOM 0 H CYS A 87 3.900 -21.911 -58.352 1.00 0.00 H new ATOM 0 HA CYS A 87 1.950 -23.281 -56.748 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.601 -21.235 -57.624 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.945 -20.962 -56.532 1.00 0.00 H new ATOM 0 HG CYS A 87 2.045 -18.996 -58.559 1.00 0.00 H new ATOM 1081 N THR A 88 1.685 -23.322 -60.004 1.00 0.00 N ATOM 1082 CA THR A 88 1.005 -23.933 -61.150 1.00 0.00 C ATOM 1083 C THR A 88 -0.496 -23.616 -61.189 1.00 0.00 C ATOM 1084 O THR A 88 -1.321 -24.495 -61.437 1.00 0.00 O ATOM 1085 CB THR A 88 1.235 -25.474 -61.226 1.00 0.00 C ATOM 1086 OG1 THR A 88 0.975 -26.104 -59.961 1.00 0.00 O ATOM 1087 CG2 THR A 88 2.656 -25.785 -61.662 1.00 0.00 C ATOM 0 H THR A 88 2.519 -22.792 -60.259 1.00 0.00 H new ATOM 0 HA THR A 88 1.461 -23.480 -62.030 1.00 0.00 H new ATOM 0 HB THR A 88 0.537 -25.870 -61.964 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.344 -25.558 -59.447 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.794 -26.865 -61.708 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.837 -25.354 -62.646 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.358 -25.360 -60.945 1.00 0.00 H new ATOM 1095 N GLY A 89 -0.842 -22.366 -60.934 1.00 0.00 N ATOM 1096 CA GLY A 89 -2.229 -21.960 -61.015 1.00 0.00 C ATOM 1097 C GLY A 89 -2.718 -21.308 -59.747 1.00 0.00 C ATOM 1098 O GLY A 89 -2.092 -21.441 -58.702 1.00 0.00 O ATOM 0 H GLY A 89 -0.190 -21.626 -60.673 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.353 -21.266 -61.847 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.847 -22.831 -61.232 1.00 0.00 H new ATOM 1102 N PRO A 90 -3.860 -20.599 -59.804 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.423 -19.913 -58.638 1.00 0.00 C ATOM 1104 C PRO A 90 -4.980 -20.897 -57.620 1.00 0.00 C ATOM 1105 O PRO A 90 -5.198 -20.554 -56.462 1.00 0.00 O ATOM 1106 CB PRO A 90 -5.555 -19.080 -59.236 1.00 0.00 C ATOM 1107 CG PRO A 90 -5.962 -19.830 -60.452 1.00 0.00 C ATOM 1108 CD PRO A 90 -4.697 -20.411 -61.011 1.00 0.00 C ATOM 0 HA PRO A 90 -3.677 -19.325 -58.103 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.385 -18.976 -58.537 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.219 -18.073 -59.484 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.679 -20.614 -60.207 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.444 -19.172 -61.175 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.879 -21.353 -61.528 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.226 -19.739 -61.729 1.00 0.00 H new ATOM 1116 N ASP A 91 -5.193 -22.126 -58.064 1.00 0.00 N ATOM 1117 CA ASP A 91 -5.734 -23.174 -57.212 1.00 0.00 C ATOM 1118 C ASP A 91 -4.714 -23.589 -56.162 1.00 0.00 C ATOM 1119 O ASP A 91 -5.066 -23.904 -55.024 1.00 0.00 O ATOM 1120 CB ASP A 91 -6.148 -24.382 -58.057 1.00 0.00 C ATOM 1121 CG ASP A 91 -6.789 -25.483 -57.241 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -6.090 -26.460 -56.889 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -8.003 -25.386 -56.962 1.00 0.00 O ATOM 0 H ASP A 91 -4.997 -22.424 -59.020 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.615 -22.784 -56.702 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.845 -24.057 -58.829 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.271 -24.779 -58.567 1.00 0.00 H new ATOM 1128 N SER A 92 -3.451 -23.577 -56.542 1.00 0.00 N ATOM 1129 CA SER A 92 -2.390 -23.938 -55.630 1.00 0.00 C ATOM 1130 C SER A 92 -1.523 -22.729 -55.281 1.00 0.00 C ATOM 1131 O SER A 92 -0.538 -22.854 -54.552 1.00 0.00 O ATOM 1132 CB SER A 92 -1.541 -25.055 -56.228 1.00 0.00 C ATOM 1133 OG SER A 92 -2.351 -26.167 -56.583 1.00 0.00 O ATOM 0 H SER A 92 -3.137 -23.320 -57.478 1.00 0.00 H new ATOM 0 HA SER A 92 -2.843 -24.297 -54.706 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.014 -24.687 -57.108 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.782 -25.366 -55.510 1.00 0.00 H new ATOM 0 HG SER A 92 -1.789 -26.872 -56.966 1.00 0.00 H new ATOM 1139 N CYS A 93 -1.892 -21.557 -55.797 1.00 0.00 N ATOM 1140 CA CYS A 93 -1.151 -20.344 -55.499 1.00 0.00 C ATOM 1141 C CYS A 93 -1.454 -19.875 -54.089 1.00 0.00 C ATOM 1142 O CYS A 93 -2.438 -19.173 -53.842 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.450 -19.226 -56.511 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.440 -17.726 -56.294 1.00 0.00 S ATOM 0 H CYS A 93 -2.692 -21.428 -56.417 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.090 -20.580 -55.577 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.293 -19.613 -57.518 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.503 -18.955 -56.434 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.583 -17.278 -55.082 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.629 -20.305 -53.168 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.738 -19.911 -51.782 1.00 0.00 C ATOM 1151 C LYS A 94 0.373 -18.935 -51.460 1.00 0.00 C ATOM 1152 O LYS A 94 0.801 -18.789 -50.317 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.687 -21.144 -50.871 1.00 0.00 C ATOM 1154 CG LYS A 94 0.452 -22.118 -51.179 1.00 0.00 C ATOM 1155 CD LYS A 94 0.384 -23.361 -50.290 1.00 0.00 C ATOM 1156 CE LYS A 94 0.563 -22.997 -48.819 1.00 0.00 C ATOM 1157 NZ LYS A 94 0.425 -24.172 -47.924 1.00 0.00 N ATOM 0 H LYS A 94 0.144 -20.943 -53.358 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.696 -19.420 -51.609 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.593 -20.812 -49.837 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.634 -21.677 -50.950 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.404 -22.416 -52.226 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.409 -21.617 -51.033 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.575 -23.860 -50.430 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.158 -24.068 -50.589 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.546 -22.548 -48.676 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.175 -22.244 -48.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.555 -23.873 -46.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.522 -24.586 -48.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.145 -24.881 -48.169 1.00 0.00 H new ATOM 1171 N CYS A 95 0.818 -18.262 -52.497 1.00 0.00 N ATOM 1172 CA CYS A 95 1.887 -17.298 -52.407 1.00 0.00 C ATOM 1173 C CYS A 95 1.325 -15.901 -52.234 1.00 0.00 C ATOM 1174 O CYS A 95 0.120 -15.684 -52.377 1.00 0.00 O ATOM 1175 CB CYS A 95 2.719 -17.359 -53.672 1.00 0.00 C ATOM 1176 SG CYS A 95 3.095 -19.037 -54.198 1.00 0.00 S ATOM 0 H CYS A 95 0.441 -18.372 -53.439 1.00 0.00 H new ATOM 0 HA CYS A 95 2.508 -17.533 -51.543 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.187 -16.845 -54.473 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.652 -16.819 -53.511 1.00 0.00 H new ATOM 0 HG CYS A 95 2.683 -19.212 -55.418 1.00 0.00 H new ATOM 1181 N ASP A 96 2.195 -14.960 -51.943 1.00 0.00 N ATOM 1182 CA ASP A 96 1.786 -13.587 -51.736 1.00 0.00 C ATOM 1183 C ASP A 96 1.808 -12.797 -53.050 1.00 0.00 C ATOM 1184 O ASP A 96 1.894 -13.374 -54.145 1.00 0.00 O ATOM 1185 CB ASP A 96 2.675 -12.912 -50.681 1.00 0.00 C ATOM 1186 CG ASP A 96 4.100 -12.725 -51.145 1.00 0.00 C ATOM 1187 OD1 ASP A 96 4.878 -13.701 -51.113 1.00 0.00 O ATOM 1188 OD2 ASP A 96 4.447 -11.602 -51.544 1.00 0.00 O ATOM 0 H ASP A 96 3.197 -15.121 -51.844 1.00 0.00 H new ATOM 0 HA ASP A 96 0.760 -13.594 -51.369 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.252 -11.941 -50.424 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.670 -13.513 -49.771 1.00 0.00 H new ATOM 1193 N ARG A 97 1.765 -11.485 -52.928 1.00 0.00 N ATOM 1194 CA ARG A 97 1.666 -10.580 -54.073 1.00 0.00 C ATOM 1195 C ARG A 97 3.009 -10.381 -54.803 1.00 0.00 C ATOM 1196 O ARG A 97 3.107 -9.553 -55.704 1.00 0.00 O ATOM 1197 CB ARG A 97 1.124 -9.228 -53.598 1.00 0.00 C ATOM 1198 CG ARG A 97 2.098 -8.446 -52.732 1.00 0.00 C ATOM 1199 CD ARG A 97 1.460 -7.191 -52.158 1.00 0.00 C ATOM 1200 NE ARG A 97 2.483 -6.246 -51.682 1.00 0.00 N ATOM 1201 CZ ARG A 97 2.556 -5.734 -50.444 1.00 0.00 C ATOM 1202 NH1 ARG A 97 1.622 -6.004 -49.546 1.00 0.00 N ATOM 1203 NH2 ARG A 97 3.559 -4.923 -50.120 1.00 0.00 N ATOM 0 H ARG A 97 1.798 -11.006 -52.028 1.00 0.00 H new ATOM 0 HA ARG A 97 0.986 -11.036 -54.792 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.862 -8.626 -54.468 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.205 -9.393 -53.036 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.450 -9.080 -51.918 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.971 -8.172 -53.324 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.844 -6.712 -52.919 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.798 -7.460 -51.335 1.00 0.00 H new ATOM 0 HE ARG A 97 3.197 -5.956 -52.350 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.837 -6.607 -49.792 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.687 -5.609 -48.608 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.271 -4.691 -50.812 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.616 -4.533 -49.179 1.00 0.00 H new ATOM 1217 N SER A 98 4.024 -11.139 -54.424 1.00 0.00 N ATOM 1218 CA SER A 98 5.345 -11.010 -55.058 1.00 0.00 C ATOM 1219 C SER A 98 5.363 -11.634 -56.457 1.00 0.00 C ATOM 1220 O SER A 98 6.202 -11.283 -57.293 1.00 0.00 O ATOM 1221 CB SER A 98 6.429 -11.648 -54.190 1.00 0.00 C ATOM 1222 OG SER A 98 6.517 -11.014 -52.923 1.00 0.00 O ATOM 0 H SER A 98 3.971 -11.845 -53.690 1.00 0.00 H new ATOM 0 HA SER A 98 5.552 -9.944 -55.158 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.212 -12.707 -54.054 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.391 -11.582 -54.699 1.00 0.00 H new ATOM 0 HG SER A 98 5.636 -11.017 -52.494 1.00 0.00 H new ATOM 1228 N CYS A 99 4.434 -12.555 -56.704 1.00 0.00 N ATOM 1229 CA CYS A 99 4.337 -13.229 -57.994 1.00 0.00 C ATOM 1230 C CYS A 99 4.236 -12.237 -59.148 1.00 0.00 C ATOM 1231 O CYS A 99 3.378 -11.363 -59.157 1.00 0.00 O ATOM 1232 CB CYS A 99 3.146 -14.186 -58.009 1.00 0.00 C ATOM 1233 SG CYS A 99 3.510 -15.834 -57.361 1.00 0.00 S ATOM 0 H CYS A 99 3.735 -12.852 -56.023 1.00 0.00 H new ATOM 0 HA CYS A 99 5.254 -13.801 -58.133 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.336 -13.749 -57.425 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.785 -14.282 -59.033 1.00 0.00 H new ATOM 0 HG CYS A 99 2.438 -16.568 -57.414 1.00 0.00 H new ATOM 1238 N SER A 100 5.115 -12.398 -60.121 1.00 0.00 N ATOM 1239 CA SER A 100 5.173 -11.521 -61.283 1.00 0.00 C ATOM 1240 C SER A 100 3.912 -11.642 -62.149 1.00 0.00 C ATOM 1241 O SER A 100 3.657 -10.808 -63.017 1.00 0.00 O ATOM 1242 CB SER A 100 6.405 -11.870 -62.106 1.00 0.00 C ATOM 1243 OG SER A 100 7.535 -12.038 -61.262 1.00 0.00 O ATOM 0 H SER A 100 5.812 -13.142 -60.130 1.00 0.00 H new ATOM 0 HA SER A 100 5.232 -10.490 -60.935 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.226 -12.785 -62.670 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.600 -11.081 -62.832 1.00 0.00 H new ATOM 0 HG SER A 100 8.319 -12.264 -61.806 1.00 0.00 H new ATOM 1249 N CYS A 101 3.136 -12.685 -61.910 1.00 0.00 N ATOM 1250 CA CYS A 101 1.912 -12.916 -62.655 1.00 0.00 C ATOM 1251 C CYS A 101 0.735 -12.141 -62.079 1.00 0.00 C ATOM 1252 O CYS A 101 -0.364 -12.170 -62.633 1.00 0.00 O ATOM 1253 CB CYS A 101 1.597 -14.404 -62.695 1.00 0.00 C ATOM 1254 SG CYS A 101 2.573 -15.319 -63.886 1.00 0.00 S ATOM 0 H CYS A 101 3.335 -13.390 -61.200 1.00 0.00 H new ATOM 0 HA CYS A 101 2.072 -12.553 -63.670 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.761 -14.827 -61.704 1.00 0.00 H new ATOM 0 HB3 CYS A 101 0.540 -14.536 -62.927 1.00 0.00 H new ATOM 0 HG CYS A 101 2.239 -16.575 -63.848 1.00 0.00 H new ATOM 1259 N LYS A 102 0.959 -11.440 -60.981 1.00 0.00 N ATOM 1260 CA LYS A 102 -0.108 -10.677 -60.357 1.00 0.00 C ATOM 1261 C LYS A 102 -0.360 -9.386 -61.124 1.00 0.00 C ATOM 1262 O LYS A 102 0.621 -8.605 -61.289 1.00 0.00 O ATOM 1263 CB LYS A 102 0.211 -10.371 -58.889 1.00 0.00 C ATOM 1264 CG LYS A 102 0.520 -11.602 -58.040 1.00 0.00 C ATOM 1265 CD LYS A 102 -0.515 -12.692 -58.248 1.00 0.00 C ATOM 1266 CE LYS A 102 -0.951 -13.325 -56.914 1.00 0.00 C ATOM 1267 NZ LYS A 102 0.128 -14.116 -56.259 1.00 0.00 N ATOM 0 H LYS A 102 1.860 -11.383 -60.507 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.012 -11.285 -60.385 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.064 -9.694 -58.849 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.635 -9.844 -58.448 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.509 -11.983 -58.296 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.549 -11.322 -56.987 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.385 -12.275 -58.755 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.105 -13.463 -58.900 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.278 -12.537 -56.235 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.811 -13.972 -57.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.286 -14.729 -55.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.609 -14.703 -56.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.815 -13.470 -55.821 1.00 0.00 H new