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 88 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 150:sc= 0.0403 USER MOD Set 2.1: A 74 CYS SG : rot 116:sc= 0.776 USER MOD Set 2.2: A 76 CYS SG : rot 99:sc= 0.396 USER MOD Set 2.3: A 81 CYS SG : rot 23:sc= 0.136 USER MOD Set 2.4: A 83 CYS SG : rot -85:sc= 1 USER MOD Set 2.5: A 87 CYS SG : rot 123:sc= 0.252 USER MOD Set 2.6: A 93 CYS SG : rot -140:sc= 0.132 USER MOD Set 2.7: A 95 CYS SG : rot 150:sc= 0 USER MOD Set 2.8: A 99 CYS SG : rot 180:sc= -0.268 USER MOD Set 2.9: A 101 CYS SG : rot 180:sc= -1.84! USER MOD Set 2.10: A 102 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.256) USER MOD Set 3.1: A 47 CYS SG : rot -27:sc= 0.0117 USER MOD Set 3.2: A 67 CYS SG : rot 180:sc= 0.351 USER MOD Set 3.3: A 70 CYS SG : rot -72:sc= 0.145 USER MOD Set 4.1: A 54 CYS SG : rot -10:sc= -0.657 USER MOD Set 4.2: A 59 CYS SG : rot -72:sc= 0.00341 USER MOD Set 4.3: A 61 CYS SG : rot 180:sc= 0.157 USER MOD Set 5.1: A 43 CYS SG : rot 180:sc= -0.129 USER MOD Set 5.2: A 44 THR OG1 : rot -63:sc= 0.195 USER MOD Set 6.1: A 15 CYS SG : rot -37:sc= 0.00282 USER MOD Set 6.2: A 20 CYS SG : rot 14:sc= 0.00897 USER MOD Set 6.3: A 22 CYS SG : rot 180:sc= -0.388 USER MOD Set 6.4: A 28 CYS SG : rot 180:sc= -1.25 USER MOD Set 7.1: A 12 THR OG1 : rot -150:sc= 0.0136 USER MOD Set 7.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 7.3: A 27 ASN : amide:sc= 0 X(o=0.014,f=-0.4) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.11) USER MOD Single : A 18 THR OG1 : rot 44:sc= 0.0346 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.302 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.738 K(o=0.74,f=-0.056) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.8 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0961) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.22) USER MOD Single : A 49 GLN : amide:sc= -0.513 K(o=-0.51,f=-3.5) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.76 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00107 USER MOD Single : A 57 SER OG : rot -76:sc= -0.257 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0645 USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.109) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 69 SER OG : rot 140:sc= -1.33 USER MOD Single : A 71 SER OG : rot 25:sc= 0.901 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0127 (180deg=-0.13) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 4.008 -4.499 -19.567 1.00 0.00 N ATOM 94 CA GLY A 8 3.989 -5.834 -20.109 1.00 0.00 C ATOM 95 C GLY A 8 2.868 -6.643 -19.518 1.00 0.00 C ATOM 96 O GLY A 8 2.482 -6.407 -18.372 1.00 0.00 O ATOM 0 HA2 GLY A 8 3.877 -5.788 -21.192 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.941 -6.325 -19.908 1.00 0.00 H new ATOM 100 N ALA A 9 2.338 -7.587 -20.301 1.00 0.00 N ATOM 101 CA ALA A 9 1.205 -8.434 -19.890 1.00 0.00 C ATOM 102 C ALA A 9 -0.069 -7.612 -19.755 1.00 0.00 C ATOM 103 O ALA A 9 -1.059 -8.057 -19.170 1.00 0.00 O ATOM 104 CB ALA A 9 1.507 -9.185 -18.596 1.00 0.00 C ATOM 0 H ALA A 9 2.680 -7.789 -21.240 1.00 0.00 H new ATOM 0 HA ALA A 9 1.050 -9.176 -20.673 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.649 -9.800 -18.323 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.379 -9.823 -18.741 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.709 -8.470 -17.799 1.00 0.00 H new ATOM 110 N GLY A 10 -0.045 -6.425 -20.327 1.00 0.00 N ATOM 111 CA GLY A 10 -1.185 -5.549 -20.267 1.00 0.00 C ATOM 112 C GLY A 10 -1.898 -5.485 -21.587 1.00 0.00 C ATOM 113 O GLY A 10 -2.042 -4.416 -22.173 1.00 0.00 O ATOM 0 H GLY A 10 0.754 -6.050 -20.838 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.873 -5.897 -19.497 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.862 -4.549 -19.977 1.00 0.00 H new ATOM 117 N CYS A 11 -2.322 -6.632 -22.071 1.00 0.00 N ATOM 118 CA CYS A 11 -3.023 -6.695 -23.335 1.00 0.00 C ATOM 119 C CYS A 11 -4.522 -6.440 -23.115 1.00 0.00 C ATOM 120 O CYS A 11 -4.933 -6.038 -22.019 1.00 0.00 O ATOM 121 CB CYS A 11 -2.780 -8.047 -24.009 1.00 0.00 C ATOM 122 SG CYS A 11 -2.763 -7.975 -25.819 1.00 0.00 S ATOM 0 H CYS A 11 -2.194 -7.532 -21.609 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.641 -5.919 -23.998 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.828 -8.448 -23.663 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.555 -8.745 -23.691 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.549 -9.164 -26.299 1.00 0.00 H new ATOM 127 N THR A 12 -5.335 -6.675 -24.129 1.00 0.00 N ATOM 128 CA THR A 12 -6.755 -6.395 -24.019 1.00 0.00 C ATOM 129 C THR A 12 -7.601 -7.552 -24.549 1.00 0.00 C ATOM 130 O THR A 12 -7.151 -8.335 -25.387 1.00 0.00 O ATOM 131 CB THR A 12 -7.121 -5.081 -24.768 1.00 0.00 C ATOM 132 OG1 THR A 12 -8.514 -4.781 -24.606 1.00 0.00 O ATOM 133 CG2 THR A 12 -6.799 -5.188 -26.253 1.00 0.00 C ATOM 0 H THR A 12 -5.041 -7.055 -25.029 1.00 0.00 H new ATOM 0 HA THR A 12 -6.977 -6.271 -22.959 1.00 0.00 H new ATOM 0 HB THR A 12 -6.524 -4.278 -24.335 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.838 -4.296 -25.394 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.065 -4.256 -26.751 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.733 -5.377 -26.382 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.368 -6.008 -26.691 1.00 0.00 H new ATOM 141 N ASP A 13 -8.823 -7.657 -24.046 1.00 0.00 N ATOM 142 CA ASP A 13 -9.755 -8.691 -24.479 1.00 0.00 C ATOM 143 C ASP A 13 -10.315 -8.357 -25.859 1.00 0.00 C ATOM 144 O ASP A 13 -10.727 -9.241 -26.609 1.00 0.00 O ATOM 145 CB ASP A 13 -10.887 -8.849 -23.462 1.00 0.00 C ATOM 146 CG ASP A 13 -11.903 -9.892 -23.878 1.00 0.00 C ATOM 147 OD1 ASP A 13 -11.569 -11.093 -23.874 1.00 0.00 O ATOM 148 OD2 ASP A 13 -13.048 -9.515 -24.196 1.00 0.00 O ATOM 0 H ASP A 13 -9.196 -7.033 -23.331 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.219 -9.638 -24.545 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.466 -9.123 -22.495 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.389 -7.890 -23.331 1.00 0.00 H new ATOM 153 N THR A 14 -10.296 -7.072 -26.202 1.00 0.00 N ATOM 154 CA THR A 14 -10.745 -6.614 -27.514 1.00 0.00 C ATOM 155 C THR A 14 -9.850 -7.210 -28.605 1.00 0.00 C ATOM 156 O THR A 14 -10.228 -7.306 -29.779 1.00 0.00 O ATOM 157 CB THR A 14 -10.667 -5.077 -27.603 1.00 0.00 C ATOM 158 OG1 THR A 14 -11.286 -4.493 -26.448 1.00 0.00 O ATOM 159 CG2 THR A 14 -11.361 -4.580 -28.862 1.00 0.00 C ATOM 0 H THR A 14 -9.973 -6.326 -25.586 1.00 0.00 H new ATOM 0 HA THR A 14 -11.777 -6.936 -27.655 1.00 0.00 H new ATOM 0 HB THR A 14 -9.618 -4.783 -27.642 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.233 -3.516 -26.507 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.296 -3.493 -28.908 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.876 -5.010 -29.739 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.409 -4.880 -28.843 1.00 0.00 H new ATOM 167 N CYS A 15 -8.683 -7.633 -28.185 1.00 0.00 N ATOM 168 CA CYS A 15 -7.683 -8.184 -29.057 1.00 0.00 C ATOM 169 C CYS A 15 -7.955 -9.667 -29.335 1.00 0.00 C ATOM 170 O CYS A 15 -7.284 -10.298 -30.149 1.00 0.00 O ATOM 171 CB CYS A 15 -6.337 -8.020 -28.387 1.00 0.00 C ATOM 172 SG CYS A 15 -4.949 -8.237 -29.463 1.00 0.00 S ATOM 0 H CYS A 15 -8.399 -7.602 -27.206 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.701 -7.661 -30.013 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.285 -7.025 -27.944 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.263 -8.737 -27.570 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.204 -9.186 -30.314 1.00 0.00 H new ATOM 177 N LYS A 16 -8.943 -10.217 -28.655 1.00 0.00 N ATOM 178 CA LYS A 16 -9.284 -11.622 -28.818 1.00 0.00 C ATOM 179 C LYS A 16 -10.389 -11.790 -29.842 1.00 0.00 C ATOM 180 O LYS A 16 -10.940 -12.877 -30.004 1.00 0.00 O ATOM 181 CB LYS A 16 -9.730 -12.214 -27.481 1.00 0.00 C ATOM 182 CG LYS A 16 -8.739 -12.003 -26.355 1.00 0.00 C ATOM 183 CD LYS A 16 -7.372 -12.524 -26.727 1.00 0.00 C ATOM 184 CE LYS A 16 -6.432 -12.503 -25.539 1.00 0.00 C ATOM 185 NZ LYS A 16 -5.075 -12.992 -25.895 1.00 0.00 N ATOM 0 H LYS A 16 -9.525 -9.715 -27.984 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.397 -12.149 -29.169 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.685 -11.771 -27.199 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.900 -13.283 -27.607 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.674 -10.941 -26.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.092 -12.509 -25.457 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.459 -13.542 -27.106 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.957 -11.919 -27.533 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.361 -11.487 -25.151 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.842 -13.121 -24.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.463 -12.961 -25.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.138 -13.970 -26.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.672 -12.387 -26.639 1.00 0.00 H new ATOM 199 N GLN A 17 -10.707 -10.715 -30.537 1.00 0.00 N ATOM 200 CA GLN A 17 -11.787 -10.747 -31.499 1.00 0.00 C ATOM 201 C GLN A 17 -11.263 -11.062 -32.878 1.00 0.00 C ATOM 202 O GLN A 17 -10.077 -10.896 -33.155 1.00 0.00 O ATOM 203 CB GLN A 17 -12.536 -9.414 -31.541 1.00 0.00 C ATOM 204 CG GLN A 17 -12.995 -8.885 -30.192 1.00 0.00 C ATOM 205 CD GLN A 17 -13.507 -9.961 -29.258 1.00 0.00 C ATOM 206 OE1 GLN A 17 -14.658 -10.379 -29.349 1.00 0.00 O ATOM 207 NE2 GLN A 17 -12.692 -10.349 -28.308 1.00 0.00 N ATOM 0 H GLN A 17 -10.235 -9.815 -30.453 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.477 -11.529 -31.183 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.891 -8.668 -32.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.408 -9.526 -32.185 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.164 -8.366 -29.713 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.783 -8.148 -30.350 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.743 -9.978 -28.267 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.007 -11.022 -27.609 1.00 0.00 H new ATOM 216 N THR A 18 -12.147 -11.509 -33.736 1.00 0.00 N ATOM 217 CA THR A 18 -11.800 -11.808 -35.109 1.00 0.00 C ATOM 218 C THR A 18 -12.933 -11.390 -36.048 1.00 0.00 C ATOM 219 O THR A 18 -14.004 -12.000 -36.053 1.00 0.00 O ATOM 220 CB THR A 18 -11.471 -13.307 -35.313 1.00 0.00 C ATOM 221 OG1 THR A 18 -12.420 -14.124 -34.613 1.00 0.00 O ATOM 222 CG2 THR A 18 -10.063 -13.634 -34.835 1.00 0.00 C ATOM 0 H THR A 18 -13.126 -11.677 -33.506 1.00 0.00 H new ATOM 0 HA THR A 18 -10.902 -11.237 -35.346 1.00 0.00 H new ATOM 0 HB THR A 18 -11.529 -13.517 -36.381 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.324 -13.778 -34.765 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.863 -14.694 -34.992 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.341 -13.041 -35.397 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.976 -13.401 -33.774 1.00 0.00 H new ATOM 230 N PRO A 19 -12.734 -10.314 -36.827 1.00 0.00 N ATOM 231 CA PRO A 19 -11.487 -9.511 -36.792 1.00 0.00 C ATOM 232 C PRO A 19 -11.311 -8.732 -35.469 1.00 0.00 C ATOM 233 O PRO A 19 -12.288 -8.474 -34.759 1.00 0.00 O ATOM 234 CB PRO A 19 -11.656 -8.526 -37.955 1.00 0.00 C ATOM 235 CG PRO A 19 -12.802 -9.054 -38.773 1.00 0.00 C ATOM 236 CD PRO A 19 -13.694 -9.802 -37.825 1.00 0.00 C ATOM 0 HA PRO A 19 -10.606 -10.148 -36.870 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.867 -7.521 -37.589 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.745 -8.464 -38.551 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.343 -8.239 -39.254 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.443 -9.709 -39.566 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.443 -9.152 -37.373 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.232 -10.609 -38.323 1.00 0.00 H new ATOM 244 N CYS A 20 -10.057 -8.376 -35.143 1.00 0.00 N ATOM 245 CA CYS A 20 -9.754 -7.626 -33.918 1.00 0.00 C ATOM 246 C CYS A 20 -10.495 -6.296 -33.881 1.00 0.00 C ATOM 247 O CYS A 20 -10.633 -5.614 -34.901 1.00 0.00 O ATOM 248 CB CYS A 20 -8.244 -7.392 -33.761 1.00 0.00 C ATOM 249 SG CYS A 20 -7.356 -8.701 -32.870 1.00 0.00 S ATOM 0 H CYS A 20 -9.239 -8.596 -35.712 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.097 -8.234 -33.081 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.803 -7.284 -34.752 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.090 -6.448 -33.238 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.115 -9.752 -32.774 1.00 0.00 H new ATOM 254 N GLY A 21 -10.953 -5.921 -32.696 1.00 0.00 N ATOM 255 CA GLY A 21 -11.725 -4.708 -32.551 1.00 0.00 C ATOM 256 C GLY A 21 -10.877 -3.472 -32.328 1.00 0.00 C ATOM 257 O GLY A 21 -11.402 -2.364 -32.311 1.00 0.00 O ATOM 0 H GLY A 21 -10.802 -6.438 -31.830 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.333 -4.565 -33.445 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.412 -4.823 -31.713 1.00 0.00 H new ATOM 261 N CYS A 22 -9.571 -3.655 -32.158 1.00 0.00 N ATOM 262 CA CYS A 22 -8.668 -2.524 -31.928 1.00 0.00 C ATOM 263 C CYS A 22 -8.687 -1.542 -33.101 1.00 0.00 C ATOM 264 O CYS A 22 -8.956 -0.350 -32.927 1.00 0.00 O ATOM 265 CB CYS A 22 -7.236 -3.005 -31.692 1.00 0.00 C ATOM 266 SG CYS A 22 -6.974 -3.866 -30.133 1.00 0.00 S ATOM 0 H CYS A 22 -9.114 -4.567 -32.174 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.025 -2.009 -31.036 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.951 -3.668 -32.509 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.568 -2.145 -31.732 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.729 -4.229 -30.042 1.00 0.00 H new ATOM 271 N GLY A 23 -8.396 -2.051 -34.295 1.00 0.00 N ATOM 272 CA GLY A 23 -8.363 -1.205 -35.472 1.00 0.00 C ATOM 273 C GLY A 23 -7.215 -0.216 -35.422 1.00 0.00 C ATOM 274 O GLY A 23 -6.053 -0.593 -35.570 1.00 0.00 O ATOM 0 H GLY A 23 -8.183 -3.034 -34.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.270 -1.826 -36.363 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.305 -0.664 -35.557 1.00 0.00 H new ATOM 278 N SER A 24 -7.539 1.044 -35.195 1.00 0.00 N ATOM 279 CA SER A 24 -6.538 2.093 -35.115 1.00 0.00 C ATOM 280 C SER A 24 -6.331 2.542 -33.663 1.00 0.00 C ATOM 281 O SER A 24 -5.653 3.538 -33.396 1.00 0.00 O ATOM 282 CB SER A 24 -6.957 3.277 -35.994 1.00 0.00 C ATOM 283 OG SER A 24 -8.304 3.656 -35.733 1.00 0.00 O ATOM 0 H SER A 24 -8.497 1.368 -35.062 1.00 0.00 H new ATOM 0 HA SER A 24 -5.589 1.700 -35.480 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.295 4.123 -35.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.848 3.010 -37.045 1.00 0.00 H new ATOM 0 HG SER A 24 -8.547 4.414 -36.305 1.00 0.00 H new ATOM 289 N GLY A 25 -6.914 1.801 -32.735 1.00 0.00 N ATOM 290 CA GLY A 25 -6.796 2.129 -31.331 1.00 0.00 C ATOM 291 C GLY A 25 -6.599 0.891 -30.500 1.00 0.00 C ATOM 292 O GLY A 25 -7.566 0.251 -30.086 1.00 0.00 O ATOM 0 H GLY A 25 -7.472 0.970 -32.932 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.956 2.808 -31.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.692 2.654 -31.000 1.00 0.00 H new ATOM 296 N CYS A 26 -5.356 0.548 -30.264 1.00 0.00 N ATOM 297 CA CYS A 26 -5.025 -0.655 -29.531 1.00 0.00 C ATOM 298 C CYS A 26 -4.958 -0.406 -28.044 1.00 0.00 C ATOM 299 O CYS A 26 -4.348 0.565 -27.586 1.00 0.00 O ATOM 300 CB CYS A 26 -3.698 -1.196 -30.011 1.00 0.00 C ATOM 301 SG CYS A 26 -3.623 -1.430 -31.784 1.00 0.00 S ATOM 0 H CYS A 26 -4.548 1.089 -30.571 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.816 -1.383 -29.715 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.905 -0.512 -29.709 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.503 -2.148 -29.518 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.453 -1.893 -32.111 1.00 0.00 H new ATOM 306 N ASN A 27 -5.580 -1.287 -27.291 1.00 0.00 N ATOM 307 CA ASN A 27 -5.541 -1.211 -25.844 1.00 0.00 C ATOM 308 C ASN A 27 -4.444 -2.128 -25.327 1.00 0.00 C ATOM 309 O ASN A 27 -4.208 -2.225 -24.127 1.00 0.00 O ATOM 310 CB ASN A 27 -6.891 -1.617 -25.228 1.00 0.00 C ATOM 311 CG ASN A 27 -8.052 -0.752 -25.690 1.00 0.00 C ATOM 312 OD1 ASN A 27 -7.882 0.425 -26.011 1.00 0.00 O ATOM 313 ND2 ASN A 27 -9.241 -1.330 -25.718 1.00 0.00 N ATOM 0 H ASN A 27 -6.122 -2.069 -27.658 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.336 -0.180 -25.555 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.099 -2.656 -25.481 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.817 -1.562 -24.142 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.060 -0.798 -26.013 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.339 -2.308 -25.444 1.00 0.00 H new ATOM 320 N CYS A 28 -3.773 -2.798 -26.256 1.00 0.00 N ATOM 321 CA CYS A 28 -2.710 -3.720 -25.925 1.00 0.00 C ATOM 322 C CYS A 28 -1.348 -3.034 -25.966 1.00 0.00 C ATOM 323 O CYS A 28 -1.236 -1.868 -26.359 1.00 0.00 O ATOM 324 CB CYS A 28 -2.740 -4.920 -26.872 1.00 0.00 C ATOM 325 SG CYS A 28 -2.863 -4.497 -28.627 1.00 0.00 S ATOM 0 H CYS A 28 -3.955 -2.713 -27.256 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.870 -4.072 -24.906 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.837 -5.510 -26.717 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.585 -5.555 -26.605 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.878 -5.587 -29.336 1.00 0.00 H new ATOM 330 N LYS A 29 -0.317 -3.758 -25.557 1.00 0.00 N ATOM 331 CA LYS A 29 1.029 -3.213 -25.512 1.00 0.00 C ATOM 332 C LYS A 29 1.719 -3.348 -26.850 1.00 0.00 C ATOM 333 O LYS A 29 1.321 -4.154 -27.685 1.00 0.00 O ATOM 334 CB LYS A 29 1.855 -3.909 -24.424 1.00 0.00 C ATOM 335 CG LYS A 29 1.233 -3.822 -23.045 1.00 0.00 C ATOM 336 CD LYS A 29 0.920 -2.386 -22.693 1.00 0.00 C ATOM 337 CE LYS A 29 0.199 -2.274 -21.376 1.00 0.00 C ATOM 338 NZ LYS A 29 -0.130 -0.865 -21.049 1.00 0.00 N ATOM 0 H LYS A 29 -0.389 -4.728 -25.251 1.00 0.00 H new ATOM 0 HA LYS A 29 0.950 -2.152 -25.273 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.982 -4.958 -24.691 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.850 -3.465 -24.394 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.320 -4.417 -23.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.914 -4.243 -22.306 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.846 -1.813 -22.649 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.309 -1.944 -23.480 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.718 -2.863 -21.412 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.819 -2.696 -20.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.626 -0.827 -20.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.747 -0.308 -20.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.742 -0.470 -21.791 1.00 0.00 H new ATOM 352 N GLU A 30 2.776 -2.571 -27.042 1.00 0.00 N ATOM 353 CA GLU A 30 3.531 -2.608 -28.299 1.00 0.00 C ATOM 354 C GLU A 30 4.384 -3.869 -28.388 1.00 0.00 C ATOM 355 O GLU A 30 5.063 -4.116 -29.388 1.00 0.00 O ATOM 356 CB GLU A 30 4.389 -1.357 -28.472 1.00 0.00 C ATOM 357 CG GLU A 30 5.415 -1.129 -27.379 1.00 0.00 C ATOM 358 CD GLU A 30 6.329 0.025 -27.711 1.00 0.00 C ATOM 359 OE1 GLU A 30 6.011 1.169 -27.338 1.00 0.00 O ATOM 360 OE2 GLU A 30 7.353 -0.204 -28.387 1.00 0.00 O ATOM 0 H GLU A 30 3.133 -1.910 -26.352 1.00 0.00 H new ATOM 0 HA GLU A 30 2.809 -2.629 -29.115 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.907 -1.419 -29.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.733 -0.488 -28.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.906 -0.931 -26.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.006 -2.034 -27.239 1.00 0.00 H new ATOM 367 N ASP A 31 4.339 -4.660 -27.330 1.00 0.00 N ATOM 368 CA ASP A 31 5.015 -5.944 -27.286 1.00 0.00 C ATOM 369 C ASP A 31 4.255 -6.931 -28.167 1.00 0.00 C ATOM 370 O ASP A 31 4.773 -7.969 -28.577 1.00 0.00 O ATOM 371 CB ASP A 31 5.060 -6.454 -25.837 1.00 0.00 C ATOM 372 CG ASP A 31 5.694 -7.825 -25.709 1.00 0.00 C ATOM 373 OD1 ASP A 31 6.931 -7.898 -25.562 1.00 0.00 O ATOM 374 OD2 ASP A 31 4.957 -8.836 -25.746 1.00 0.00 O ATOM 0 H ASP A 31 3.832 -4.429 -26.476 1.00 0.00 H new ATOM 0 HA ASP A 31 6.036 -5.841 -27.652 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.617 -5.744 -25.225 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.046 -6.491 -25.439 1.00 0.00 H new ATOM 379 N CYS A 32 3.023 -6.572 -28.465 1.00 0.00 N ATOM 380 CA CYS A 32 2.154 -7.381 -29.272 1.00 0.00 C ATOM 381 C CYS A 32 2.511 -7.225 -30.758 1.00 0.00 C ATOM 382 O CYS A 32 2.847 -6.130 -31.215 1.00 0.00 O ATOM 383 CB CYS A 32 0.708 -6.971 -29.019 1.00 0.00 C ATOM 384 SG CYS A 32 -0.496 -8.237 -29.417 1.00 0.00 S ATOM 0 H CYS A 32 2.599 -5.700 -28.147 1.00 0.00 H new ATOM 0 HA CYS A 32 2.279 -8.430 -29.003 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.598 -6.698 -27.969 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.487 -6.079 -29.605 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.692 -7.793 -29.166 1.00 0.00 H new ATOM 389 N ARG A 33 2.444 -8.325 -31.497 1.00 0.00 N ATOM 390 CA ARG A 33 2.789 -8.331 -32.921 1.00 0.00 C ATOM 391 C ARG A 33 1.588 -8.673 -33.779 1.00 0.00 C ATOM 392 O ARG A 33 1.731 -9.062 -34.939 1.00 0.00 O ATOM 393 CB ARG A 33 3.911 -9.336 -33.177 1.00 0.00 C ATOM 394 CG ARG A 33 5.256 -8.866 -32.688 1.00 0.00 C ATOM 395 CD ARG A 33 5.835 -7.829 -33.623 1.00 0.00 C ATOM 396 NE ARG A 33 6.822 -6.984 -32.951 1.00 0.00 N ATOM 397 CZ ARG A 33 7.849 -6.390 -33.556 1.00 0.00 C ATOM 398 NH1 ARG A 33 8.091 -6.611 -34.846 1.00 0.00 N ATOM 399 NH2 ARG A 33 8.645 -5.584 -32.861 1.00 0.00 N ATOM 0 H ARG A 33 2.152 -9.233 -31.135 1.00 0.00 H new ATOM 0 HA ARG A 33 3.124 -7.330 -33.192 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.664 -10.278 -32.688 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.971 -9.538 -34.246 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.157 -8.445 -31.687 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.937 -9.714 -32.612 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.301 -8.326 -34.474 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.032 -7.207 -34.018 1.00 0.00 H new ATOM 0 HE ARG A 33 6.716 -6.839 -31.947 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.488 -7.239 -35.378 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.879 -6.153 -35.303 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.468 -5.423 -31.869 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.433 -5.126 -33.319 1.00 0.00 H new ATOM 413 N CYS A 34 0.412 -8.498 -33.221 1.00 0.00 N ATOM 414 CA CYS A 34 -0.816 -8.832 -33.909 1.00 0.00 C ATOM 415 C CYS A 34 -1.024 -7.963 -35.140 1.00 0.00 C ATOM 416 O CYS A 34 -1.374 -6.801 -35.029 1.00 0.00 O ATOM 417 CB CYS A 34 -1.991 -8.682 -32.971 1.00 0.00 C ATOM 418 SG CYS A 34 -3.083 -10.095 -32.982 1.00 0.00 S ATOM 0 H CYS A 34 0.279 -8.122 -32.282 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.741 -9.868 -34.239 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.621 -8.524 -31.958 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.556 -7.792 -33.246 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.063 -9.892 -32.152 1.00 0.00 H new ATOM 423 N GLN A 35 -0.828 -8.549 -36.317 1.00 0.00 N ATOM 424 CA GLN A 35 -0.967 -7.824 -37.582 1.00 0.00 C ATOM 425 C GLN A 35 -2.398 -7.349 -37.789 1.00 0.00 C ATOM 426 O GLN A 35 -2.655 -6.458 -38.599 1.00 0.00 O ATOM 427 CB GLN A 35 -0.529 -8.699 -38.756 1.00 0.00 C ATOM 428 CG GLN A 35 0.905 -9.190 -38.652 1.00 0.00 C ATOM 429 CD GLN A 35 1.912 -8.057 -38.567 1.00 0.00 C ATOM 430 OE1 GLN A 35 2.412 -7.580 -39.582 1.00 0.00 O ATOM 431 NE2 GLN A 35 2.226 -7.642 -37.361 1.00 0.00 N ATOM 0 H GLN A 35 -0.571 -9.530 -36.424 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.319 -6.948 -37.535 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.194 -9.560 -38.824 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.644 -8.134 -39.681 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.004 -9.824 -37.771 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.135 -9.810 -39.518 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.786 -8.067 -36.545 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.910 -6.895 -37.241 1.00 0.00 H new ATOM 440 N SER A 36 -3.323 -7.942 -37.043 1.00 0.00 N ATOM 441 CA SER A 36 -4.727 -7.563 -37.099 1.00 0.00 C ATOM 442 C SER A 36 -4.912 -6.100 -36.684 1.00 0.00 C ATOM 443 O SER A 36 -5.864 -5.440 -37.096 1.00 0.00 O ATOM 444 CB SER A 36 -5.545 -8.469 -36.182 1.00 0.00 C ATOM 445 OG SER A 36 -5.411 -9.834 -36.558 1.00 0.00 O ATOM 0 H SER A 36 -3.121 -8.695 -36.386 1.00 0.00 H new ATOM 0 HA SER A 36 -5.075 -7.677 -38.126 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.217 -8.339 -35.151 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.595 -8.179 -36.222 1.00 0.00 H new ATOM 0 HG SER A 36 -5.943 -10.393 -35.954 1.00 0.00 H new ATOM 451 N CYS A 37 -3.991 -5.609 -35.877 1.00 0.00 N ATOM 452 CA CYS A 37 -4.026 -4.245 -35.407 1.00 0.00 C ATOM 453 C CYS A 37 -2.632 -3.644 -35.470 1.00 0.00 C ATOM 454 O CYS A 37 -2.328 -2.650 -34.806 1.00 0.00 O ATOM 455 CB CYS A 37 -4.589 -4.206 -33.981 1.00 0.00 C ATOM 456 SG CYS A 37 -4.102 -5.615 -32.943 1.00 0.00 S ATOM 0 H CYS A 37 -3.198 -6.149 -35.531 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.678 -3.650 -36.046 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.261 -3.285 -33.499 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.677 -4.168 -34.034 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.627 -5.485 -31.761 1.00 0.00 H new ATOM 461 N LYS A 38 -1.802 -4.223 -36.327 1.00 0.00 N ATOM 462 CA LYS A 38 -0.431 -3.797 -36.469 1.00 0.00 C ATOM 463 C LYS A 38 -0.015 -3.865 -37.928 1.00 0.00 C ATOM 464 O LYS A 38 0.661 -4.801 -38.357 1.00 0.00 O ATOM 465 CB LYS A 38 0.495 -4.670 -35.614 1.00 0.00 C ATOM 466 CG LYS A 38 1.515 -3.899 -34.798 1.00 0.00 C ATOM 467 CD LYS A 38 2.439 -3.080 -35.674 1.00 0.00 C ATOM 468 CE LYS A 38 3.343 -3.950 -36.536 1.00 0.00 C ATOM 469 NZ LYS A 38 4.326 -4.713 -35.731 1.00 0.00 N ATOM 0 H LYS A 38 -2.066 -4.997 -36.937 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.349 -2.766 -36.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.115 -5.269 -34.937 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.022 -5.365 -36.267 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.998 -3.240 -34.100 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.104 -4.596 -34.202 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.845 -2.430 -36.316 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.052 -2.434 -35.046 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.732 -4.645 -37.113 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.873 -3.322 -37.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.024 -5.155 -36.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.812 -4.069 -35.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.833 -5.451 -35.189 1.00 0.00 H new ATOM 528 N CYS A 43 -1.001 1.577 -43.554 1.00 0.00 N ATOM 529 CA CYS A 43 -1.516 1.569 -44.958 1.00 0.00 C ATOM 530 C CYS A 43 -2.667 2.551 -45.196 1.00 0.00 C ATOM 531 O CYS A 43 -2.470 3.769 -45.226 1.00 0.00 O ATOM 532 CB CYS A 43 -1.912 0.145 -45.385 1.00 0.00 C ATOM 533 SG CYS A 43 -2.427 0.007 -47.123 1.00 0.00 S ATOM 0 HA CYS A 43 -0.693 1.914 -45.584 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.067 -0.522 -45.214 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.726 -0.201 -44.748 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.738 -1.227 -47.387 1.00 0.00 H new ATOM 538 N THR A 44 -3.841 2.005 -45.384 1.00 0.00 N ATOM 539 CA THR A 44 -5.054 2.773 -45.540 1.00 0.00 C ATOM 540 C THR A 44 -6.147 2.148 -44.693 1.00 0.00 C ATOM 541 O THR A 44 -6.211 0.926 -44.559 1.00 0.00 O ATOM 542 CB THR A 44 -5.511 2.827 -47.014 1.00 0.00 C ATOM 543 OG1 THR A 44 -5.570 1.503 -47.558 1.00 0.00 O ATOM 544 CG2 THR A 44 -4.566 3.675 -47.841 1.00 0.00 C ATOM 0 H THR A 44 -3.986 0.997 -45.434 1.00 0.00 H new ATOM 0 HA THR A 44 -4.856 3.795 -45.216 1.00 0.00 H new ATOM 0 HB THR A 44 -6.503 3.278 -47.047 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.674 1.106 -47.551 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.909 3.698 -48.876 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.545 4.690 -47.443 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.564 3.248 -47.800 1.00 0.00 H new ATOM 552 N ASP A 45 -6.997 2.967 -44.117 1.00 0.00 N ATOM 553 CA ASP A 45 -8.050 2.469 -43.248 1.00 0.00 C ATOM 554 C ASP A 45 -9.181 1.844 -44.042 1.00 0.00 C ATOM 555 O ASP A 45 -9.947 1.048 -43.509 1.00 0.00 O ATOM 556 CB ASP A 45 -8.565 3.563 -42.318 1.00 0.00 C ATOM 557 CG ASP A 45 -7.505 4.011 -41.333 1.00 0.00 C ATOM 558 OD1 ASP A 45 -6.988 3.163 -40.577 1.00 0.00 O ATOM 559 OD2 ASP A 45 -7.171 5.215 -41.315 1.00 0.00 O ATOM 0 H ASP A 45 -6.984 3.980 -44.231 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.616 1.685 -42.628 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.895 4.417 -42.910 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.435 3.197 -41.773 1.00 0.00 H new ATOM 564 N VAL A 46 -9.277 2.191 -45.324 1.00 0.00 N ATOM 565 CA VAL A 46 -10.288 1.591 -46.195 1.00 0.00 C ATOM 566 C VAL A 46 -9.932 0.121 -46.447 1.00 0.00 C ATOM 567 O VAL A 46 -10.800 -0.719 -46.687 1.00 0.00 O ATOM 568 CB VAL A 46 -10.401 2.332 -47.556 1.00 0.00 C ATOM 569 CG1 VAL A 46 -11.546 1.766 -48.383 1.00 0.00 C ATOM 570 CG2 VAL A 46 -10.594 3.826 -47.348 1.00 0.00 C ATOM 0 H VAL A 46 -8.675 2.877 -45.780 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.251 1.672 -45.691 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.468 2.178 -48.099 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.608 2.299 -49.332 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.369 0.707 -48.572 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.482 1.886 -47.838 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.670 4.321 -48.316 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.507 3.999 -46.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.743 4.230 -46.800 1.00 0.00 H new ATOM 580 N CYS A 47 -8.647 -0.171 -46.360 1.00 0.00 N ATOM 581 CA CYS A 47 -8.138 -1.517 -46.547 1.00 0.00 C ATOM 582 C CYS A 47 -8.318 -2.334 -45.256 1.00 0.00 C ATOM 583 O CYS A 47 -8.320 -3.564 -45.272 1.00 0.00 O ATOM 584 CB CYS A 47 -6.654 -1.436 -46.937 1.00 0.00 C ATOM 585 SG CYS A 47 -5.866 -3.012 -47.307 1.00 0.00 S ATOM 0 H CYS A 47 -7.925 0.521 -46.157 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.692 -2.017 -47.342 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.560 -0.788 -47.809 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.108 -0.958 -46.124 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.477 -3.964 -46.666 1.00 0.00 H new ATOM 590 N LYS A 48 -8.501 -1.631 -44.142 1.00 0.00 N ATOM 591 CA LYS A 48 -8.654 -2.279 -42.844 1.00 0.00 C ATOM 592 C LYS A 48 -10.138 -2.426 -42.481 1.00 0.00 C ATOM 593 O LYS A 48 -10.476 -2.808 -41.360 1.00 0.00 O ATOM 594 CB LYS A 48 -7.941 -1.465 -41.756 1.00 0.00 C ATOM 595 CG LYS A 48 -6.515 -1.046 -42.105 1.00 0.00 C ATOM 596 CD LYS A 48 -5.939 -0.152 -41.018 1.00 0.00 C ATOM 597 CE LYS A 48 -4.832 0.723 -41.531 1.00 0.00 C ATOM 598 NZ LYS A 48 -4.590 1.873 -40.622 1.00 0.00 N ATOM 0 H LYS A 48 -8.547 -0.612 -44.112 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.206 -3.271 -42.907 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.528 -0.570 -41.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.918 -2.052 -40.838 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.889 -1.930 -42.225 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.508 -0.518 -43.059 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.732 0.472 -40.605 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.563 -0.770 -40.203 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.918 0.137 -41.631 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.086 1.090 -42.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.700 2.342 -40.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.375 2.550 -40.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.525 1.533 -39.641 1.00 0.00 H new ATOM 612 N GLN A 49 -11.013 -2.105 -43.431 1.00 0.00 N ATOM 613 CA GLN A 49 -12.465 -2.204 -43.213 1.00 0.00 C ATOM 614 C GLN A 49 -12.904 -3.661 -43.050 1.00 0.00 C ATOM 615 O GLN A 49 -12.126 -4.590 -43.266 1.00 0.00 O ATOM 616 CB GLN A 49 -13.249 -1.567 -44.375 1.00 0.00 C ATOM 617 CG GLN A 49 -13.041 -0.072 -44.537 1.00 0.00 C ATOM 618 CD GLN A 49 -13.858 0.514 -45.688 1.00 0.00 C ATOM 619 OE1 GLN A 49 -14.149 -0.162 -46.664 1.00 0.00 O ATOM 620 NE2 GLN A 49 -14.220 1.776 -45.569 1.00 0.00 N ATOM 0 H GLN A 49 -10.749 -1.774 -44.359 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.685 -1.660 -42.294 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.963 -2.062 -45.303 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.312 -1.758 -44.226 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.314 0.432 -43.610 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.983 0.127 -44.709 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.957 2.306 -44.738 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.763 2.223 -46.308 1.00 0.00 H new ATOM 629 N THR A 50 -14.149 -3.852 -42.664 1.00 0.00 N ATOM 630 CA THR A 50 -14.699 -5.180 -42.504 1.00 0.00 C ATOM 631 C THR A 50 -16.171 -5.213 -42.945 1.00 0.00 C ATOM 632 O THR A 50 -17.051 -4.746 -42.221 1.00 0.00 O ATOM 633 CB THR A 50 -14.593 -5.654 -41.043 1.00 0.00 C ATOM 634 OG1 THR A 50 -13.226 -5.563 -40.603 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.073 -7.092 -40.909 1.00 0.00 C ATOM 0 H THR A 50 -14.802 -3.097 -42.454 1.00 0.00 H new ATOM 0 HA THR A 50 -14.118 -5.853 -43.134 1.00 0.00 H new ATOM 0 HB THR A 50 -15.223 -5.015 -40.425 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.161 -5.864 -39.673 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.990 -7.408 -39.869 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.113 -7.159 -41.227 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.460 -7.740 -41.535 1.00 0.00 H new ATOM 643 N PRO A 51 -16.455 -5.741 -44.156 1.00 0.00 N ATOM 644 CA PRO A 51 -15.424 -6.268 -45.068 1.00 0.00 C ATOM 645 C PRO A 51 -14.608 -5.146 -45.709 1.00 0.00 C ATOM 646 O PRO A 51 -15.034 -3.987 -45.711 1.00 0.00 O ATOM 647 CB PRO A 51 -16.243 -6.999 -46.133 1.00 0.00 C ATOM 648 CG PRO A 51 -17.554 -6.290 -46.150 1.00 0.00 C ATOM 649 CD PRO A 51 -17.816 -5.858 -44.733 1.00 0.00 C ATOM 0 HA PRO A 51 -14.700 -6.902 -44.555 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.756 -6.955 -47.107 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.365 -8.053 -45.885 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.523 -5.430 -46.820 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.347 -6.946 -46.510 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.353 -4.910 -44.694 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.420 -6.588 -44.195 1.00 0.00 H new ATOM 657 N CYS A 52 -13.435 -5.489 -46.236 1.00 0.00 N ATOM 658 CA CYS A 52 -12.570 -4.509 -46.874 1.00 0.00 C ATOM 659 C CYS A 52 -13.292 -3.837 -48.025 1.00 0.00 C ATOM 660 O CYS A 52 -14.042 -4.480 -48.767 1.00 0.00 O ATOM 661 CB CYS A 52 -11.282 -5.164 -47.372 1.00 0.00 C ATOM 662 SG CYS A 52 -10.135 -4.030 -48.199 1.00 0.00 S ATOM 0 H CYS A 52 -13.065 -6.439 -46.232 1.00 0.00 H new ATOM 0 HA CYS A 52 -12.308 -3.754 -46.133 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.772 -5.624 -46.525 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.541 -5.967 -48.062 1.00 0.00 H new ATOM 0 HG CYS A 52 -9.077 -4.683 -48.579 1.00 0.00 H new ATOM 667 N GLY A 53 -13.074 -2.553 -48.165 1.00 0.00 N ATOM 668 CA GLY A 53 -13.732 -1.807 -49.204 1.00 0.00 C ATOM 669 C GLY A 53 -12.761 -1.019 -50.023 1.00 0.00 C ATOM 670 O GLY A 53 -13.132 -0.023 -50.664 1.00 0.00 O ATOM 0 H GLY A 53 -12.448 -2.006 -47.574 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.281 -2.491 -49.851 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.464 -1.132 -48.759 1.00 0.00 H new ATOM 674 N CYS A 54 -11.509 -1.450 -50.014 1.00 0.00 N ATOM 675 CA CYS A 54 -10.482 -0.762 -50.752 1.00 0.00 C ATOM 676 C CYS A 54 -10.768 -0.812 -52.233 1.00 0.00 C ATOM 677 O CYS A 54 -10.829 0.217 -52.884 1.00 0.00 O ATOM 678 CB CYS A 54 -9.106 -1.339 -50.470 1.00 0.00 C ATOM 679 SG CYS A 54 -7.774 -0.380 -51.221 1.00 0.00 S ATOM 0 H CYS A 54 -11.188 -2.272 -49.502 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.486 0.277 -50.422 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.951 -1.385 -49.392 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.064 -2.363 -50.842 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.278 0.499 -52.035 1.00 0.00 H new ATOM 684 N ALA A 55 -10.978 -2.012 -52.754 1.00 0.00 N ATOM 685 CA ALA A 55 -11.256 -2.187 -54.169 1.00 0.00 C ATOM 686 C ALA A 55 -12.569 -1.521 -54.535 1.00 0.00 C ATOM 687 O ALA A 55 -12.726 -1.001 -55.635 1.00 0.00 O ATOM 688 CB ALA A 55 -11.286 -3.662 -54.529 1.00 0.00 C ATOM 0 H ALA A 55 -10.961 -2.879 -52.216 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.457 -1.713 -54.740 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.496 -3.773 -55.593 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.320 -4.112 -54.301 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.064 -4.162 -53.952 1.00 0.00 H new ATOM 694 N THR A 56 -13.499 -1.526 -53.593 1.00 0.00 N ATOM 695 CA THR A 56 -14.803 -0.914 -53.776 1.00 0.00 C ATOM 696 C THR A 56 -14.670 0.588 -54.065 1.00 0.00 C ATOM 697 O THR A 56 -15.352 1.125 -54.936 1.00 0.00 O ATOM 698 CB THR A 56 -15.665 -1.120 -52.520 1.00 0.00 C ATOM 699 OG1 THR A 56 -15.579 -2.493 -52.110 1.00 0.00 O ATOM 700 CG2 THR A 56 -17.118 -0.760 -52.792 1.00 0.00 C ATOM 0 H THR A 56 -13.369 -1.956 -52.677 1.00 0.00 H new ATOM 0 HA THR A 56 -15.283 -1.392 -54.630 1.00 0.00 H new ATOM 0 HB THR A 56 -15.293 -0.468 -51.730 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.126 -2.630 -51.308 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.707 -0.915 -51.888 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.184 0.285 -53.093 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.506 -1.393 -53.590 1.00 0.00 H new ATOM 708 N SER A 57 -13.777 1.249 -53.341 1.00 0.00 N ATOM 709 CA SER A 57 -13.550 2.676 -53.524 1.00 0.00 C ATOM 710 C SER A 57 -12.391 2.919 -54.498 1.00 0.00 C ATOM 711 O SER A 57 -12.082 4.060 -54.854 1.00 0.00 O ATOM 712 CB SER A 57 -13.259 3.334 -52.168 1.00 0.00 C ATOM 713 OG SER A 57 -12.223 2.649 -51.482 1.00 0.00 O ATOM 0 H SER A 57 -13.197 0.819 -52.620 1.00 0.00 H new ATOM 0 HA SER A 57 -14.449 3.123 -53.949 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.974 4.375 -52.319 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.163 3.336 -51.559 1.00 0.00 H new ATOM 0 HG SER A 57 -12.576 1.817 -51.104 1.00 0.00 H new ATOM 719 N GLY A 58 -11.775 1.839 -54.935 1.00 0.00 N ATOM 720 CA GLY A 58 -10.643 1.927 -55.825 1.00 0.00 C ATOM 721 C GLY A 58 -9.377 1.503 -55.124 1.00 0.00 C ATOM 722 O GLY A 58 -8.862 2.242 -54.282 1.00 0.00 O ATOM 0 H GLY A 58 -12.044 0.887 -54.685 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.810 1.295 -56.697 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.538 2.950 -56.188 1.00 0.00 H new ATOM 726 N CYS A 59 -8.894 0.299 -55.451 1.00 0.00 N ATOM 727 CA CYS A 59 -7.693 -0.274 -54.834 1.00 0.00 C ATOM 728 C CYS A 59 -6.555 0.746 -54.830 1.00 0.00 C ATOM 729 O CYS A 59 -6.053 1.140 -55.889 1.00 0.00 O ATOM 730 CB CYS A 59 -7.279 -1.549 -55.584 1.00 0.00 C ATOM 731 SG CYS A 59 -6.026 -2.551 -54.750 1.00 0.00 S ATOM 0 H CYS A 59 -9.325 -0.305 -56.151 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.916 -0.534 -53.799 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.166 -2.162 -55.745 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.903 -1.268 -56.568 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.876 -1.948 -54.812 1.00 0.00 H new ATOM 736 N ASN A 60 -6.170 1.184 -53.643 1.00 0.00 N ATOM 737 CA ASN A 60 -5.163 2.228 -53.499 1.00 0.00 C ATOM 738 C ASN A 60 -3.758 1.657 -53.459 1.00 0.00 C ATOM 739 O ASN A 60 -2.833 2.220 -54.049 1.00 0.00 O ATOM 740 CB ASN A 60 -5.437 3.060 -52.242 1.00 0.00 C ATOM 741 CG ASN A 60 -4.470 4.222 -52.080 1.00 0.00 C ATOM 742 OD1 ASN A 60 -4.674 5.297 -52.650 1.00 0.00 O ATOM 743 ND2 ASN A 60 -3.429 4.025 -51.295 1.00 0.00 N ATOM 0 H ASN A 60 -6.540 0.832 -52.760 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.229 2.872 -54.376 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.456 3.445 -52.282 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.374 2.416 -51.365 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.757 4.777 -51.141 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.296 3.121 -50.842 1.00 0.00 H new ATOM 750 N CYS A 61 -3.601 0.549 -52.777 1.00 0.00 N ATOM 751 CA CYS A 61 -2.305 -0.082 -52.630 1.00 0.00 C ATOM 752 C CYS A 61 -2.010 -1.015 -53.803 1.00 0.00 C ATOM 753 O CYS A 61 -2.707 -0.989 -54.824 1.00 0.00 O ATOM 754 CB CYS A 61 -2.274 -0.847 -51.321 1.00 0.00 C ATOM 755 SG CYS A 61 -3.756 -1.822 -51.043 1.00 0.00 S ATOM 0 H CYS A 61 -4.362 0.058 -52.308 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.534 0.688 -52.623 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -1.405 -1.506 -51.312 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.149 -0.143 -50.498 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.657 -2.449 -49.908 1.00 0.00 H new ATOM 760 N THR A 62 -0.976 -1.822 -53.664 1.00 0.00 N ATOM 761 CA THR A 62 -0.585 -2.743 -54.708 1.00 0.00 C ATOM 762 C THR A 62 -0.929 -4.179 -54.321 1.00 0.00 C ATOM 763 O THR A 62 -1.350 -4.445 -53.194 1.00 0.00 O ATOM 764 CB THR A 62 0.924 -2.639 -54.988 1.00 0.00 C ATOM 765 OG1 THR A 62 1.656 -2.886 -53.783 1.00 0.00 O ATOM 766 CG2 THR A 62 1.276 -1.261 -55.520 1.00 0.00 C ATOM 0 H THR A 62 -0.389 -1.856 -52.831 1.00 0.00 H new ATOM 0 HA THR A 62 -1.136 -2.475 -55.609 1.00 0.00 H new ATOM 0 HB THR A 62 1.189 -3.383 -55.739 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.617 -2.821 -53.965 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.348 -1.208 -55.712 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.732 -1.079 -56.447 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.001 -0.506 -54.784 1.00 0.00 H new ATOM 774 N ASP A 63 -0.734 -5.109 -55.253 1.00 0.00 N ATOM 775 CA ASP A 63 -1.014 -6.528 -55.002 1.00 0.00 C ATOM 776 C ASP A 63 0.114 -7.157 -54.193 1.00 0.00 C ATOM 777 O ASP A 63 0.156 -8.360 -53.972 1.00 0.00 O ATOM 778 CB ASP A 63 -1.216 -7.282 -56.320 1.00 0.00 C ATOM 779 CG ASP A 63 -2.414 -6.784 -57.093 1.00 0.00 C ATOM 780 OD1 ASP A 63 -3.562 -7.115 -56.711 1.00 0.00 O ATOM 781 OD2 ASP A 63 -2.219 -6.055 -58.087 1.00 0.00 O ATOM 0 H ASP A 63 -0.383 -4.910 -56.190 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.936 -6.599 -54.425 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.322 -7.178 -56.935 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.338 -8.345 -56.112 1.00 0.00 H new ATOM 786 N ASP A 64 1.039 -6.314 -53.792 1.00 0.00 N ATOM 787 CA ASP A 64 2.157 -6.695 -52.947 1.00 0.00 C ATOM 788 C ASP A 64 1.749 -6.626 -51.462 1.00 0.00 C ATOM 789 O ASP A 64 2.496 -7.045 -50.574 1.00 0.00 O ATOM 790 CB ASP A 64 3.335 -5.747 -53.226 1.00 0.00 C ATOM 791 CG ASP A 64 4.593 -6.096 -52.467 1.00 0.00 C ATOM 792 OD1 ASP A 64 5.329 -7.000 -52.913 1.00 0.00 O ATOM 793 OD2 ASP A 64 4.878 -5.440 -51.440 1.00 0.00 O ATOM 0 H ASP A 64 1.039 -5.326 -54.046 1.00 0.00 H new ATOM 0 HA ASP A 64 2.455 -7.720 -53.169 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.552 -5.757 -54.294 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.039 -4.730 -52.971 1.00 0.00 H new ATOM 798 N CYS A 65 0.553 -6.089 -51.208 1.00 0.00 N ATOM 799 CA CYS A 65 0.023 -5.962 -49.842 1.00 0.00 C ATOM 800 C CYS A 65 -0.362 -7.332 -49.309 1.00 0.00 C ATOM 801 O CYS A 65 -0.552 -8.274 -50.073 1.00 0.00 O ATOM 802 CB CYS A 65 -1.197 -5.009 -49.829 1.00 0.00 C ATOM 803 SG CYS A 65 -1.705 -4.414 -48.182 1.00 0.00 S ATOM 0 H CYS A 65 -0.071 -5.733 -51.932 1.00 0.00 H new ATOM 0 HA CYS A 65 0.794 -5.540 -49.197 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.969 -4.146 -50.454 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.042 -5.521 -50.288 1.00 0.00 H new ATOM 0 HG CYS A 65 -2.731 -3.625 -48.303 1.00 0.00 H new ATOM 808 N LYS A 66 -0.475 -7.442 -47.998 1.00 0.00 N ATOM 809 CA LYS A 66 -0.786 -8.707 -47.379 1.00 0.00 C ATOM 810 C LYS A 66 -2.281 -8.973 -47.365 1.00 0.00 C ATOM 811 O LYS A 66 -2.723 -10.044 -46.946 1.00 0.00 O ATOM 812 CB LYS A 66 -0.222 -8.774 -45.966 1.00 0.00 C ATOM 813 CG LYS A 66 0.698 -9.951 -45.775 1.00 0.00 C ATOM 814 CD LYS A 66 1.105 -10.143 -44.313 1.00 0.00 C ATOM 815 CE LYS A 66 1.724 -11.512 -44.087 1.00 0.00 C ATOM 816 NZ LYS A 66 2.860 -11.772 -45.004 1.00 0.00 N ATOM 0 H LYS A 66 -0.355 -6.667 -47.345 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.315 -9.485 -47.980 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.319 -7.853 -45.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.043 -8.837 -45.252 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.206 -10.855 -46.134 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.592 -9.812 -46.383 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.816 -9.368 -44.027 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.231 -10.026 -43.672 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.068 -11.588 -43.055 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.963 -12.280 -44.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.366 -12.627 -44.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.501 -11.911 -45.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.510 -10.961 -44.990 1.00 0.00 H new ATOM 830 N CYS A 67 -3.055 -8.010 -47.812 1.00 0.00 N ATOM 831 CA CYS A 67 -4.482 -8.181 -47.851 1.00 0.00 C ATOM 832 C CYS A 67 -4.907 -8.801 -49.169 1.00 0.00 C ATOM 833 O CYS A 67 -4.557 -8.313 -50.240 1.00 0.00 O ATOM 834 CB CYS A 67 -5.208 -6.868 -47.628 1.00 0.00 C ATOM 835 SG CYS A 67 -6.993 -7.072 -47.500 1.00 0.00 S ATOM 0 H CYS A 67 -2.720 -7.108 -48.150 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.755 -8.855 -47.039 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.834 -6.401 -46.717 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.982 -6.189 -48.450 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.550 -5.913 -47.308 1.00 0.00 H new ATOM 840 N GLN A 68 -5.673 -9.872 -49.085 1.00 0.00 N ATOM 841 CA GLN A 68 -6.109 -10.590 -50.268 1.00 0.00 C ATOM 842 C GLN A 68 -7.572 -10.272 -50.597 1.00 0.00 C ATOM 843 O GLN A 68 -8.184 -10.927 -51.442 1.00 0.00 O ATOM 844 CB GLN A 68 -5.916 -12.101 -50.062 1.00 0.00 C ATOM 845 CG GLN A 68 -4.467 -12.508 -49.782 1.00 0.00 C ATOM 846 CD GLN A 68 -4.309 -13.999 -49.536 1.00 0.00 C ATOM 847 OE1 GLN A 68 -4.107 -14.771 -50.461 1.00 0.00 O ATOM 848 NE2 GLN A 68 -4.400 -14.407 -48.283 1.00 0.00 N ATOM 0 H GLN A 68 -6.008 -10.266 -48.206 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.501 -10.267 -51.113 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.542 -12.428 -49.232 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.266 -12.627 -50.951 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.843 -12.216 -50.627 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.103 -11.961 -48.913 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.569 -13.732 -47.538 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.301 -15.398 -48.061 1.00 0.00 H new ATOM 857 N SER A 69 -8.124 -9.255 -49.935 1.00 0.00 N ATOM 858 CA SER A 69 -9.516 -8.868 -50.153 1.00 0.00 C ATOM 859 C SER A 69 -9.658 -8.022 -51.420 1.00 0.00 C ATOM 860 O SER A 69 -10.477 -8.317 -52.290 1.00 0.00 O ATOM 861 CB SER A 69 -10.068 -8.097 -48.938 1.00 0.00 C ATOM 862 OG SER A 69 -11.470 -7.906 -49.044 1.00 0.00 O ATOM 0 H SER A 69 -7.630 -8.687 -49.246 1.00 0.00 H new ATOM 0 HA SER A 69 -10.097 -9.781 -50.280 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.841 -8.645 -48.023 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.571 -7.130 -48.862 1.00 0.00 H new ATOM 0 HG SER A 69 -11.885 -8.034 -48.165 1.00 0.00 H new ATOM 868 N CYS A 70 -8.859 -6.980 -51.517 1.00 0.00 N ATOM 869 CA CYS A 70 -8.908 -6.078 -52.656 1.00 0.00 C ATOM 870 C CYS A 70 -7.961 -6.531 -53.764 1.00 0.00 C ATOM 871 O CYS A 70 -8.239 -6.341 -54.956 1.00 0.00 O ATOM 872 CB CYS A 70 -8.537 -4.687 -52.197 1.00 0.00 C ATOM 873 SG CYS A 70 -7.072 -4.664 -51.164 1.00 0.00 S ATOM 0 H CYS A 70 -8.161 -6.733 -50.816 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.919 -6.082 -53.062 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.371 -4.054 -53.069 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.372 -4.257 -51.645 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.354 -5.167 -49.999 1.00 0.00 H new ATOM 878 N SER A 71 -6.849 -7.134 -53.362 1.00 0.00 N ATOM 879 CA SER A 71 -5.830 -7.601 -54.291 1.00 0.00 C ATOM 880 C SER A 71 -6.362 -8.725 -55.192 1.00 0.00 C ATOM 881 O SER A 71 -7.391 -9.351 -54.894 1.00 0.00 O ATOM 882 CB SER A 71 -4.595 -8.077 -53.511 1.00 0.00 C ATOM 883 OG SER A 71 -3.533 -8.427 -54.378 1.00 0.00 O ATOM 0 H SER A 71 -6.629 -7.313 -52.382 1.00 0.00 H new ATOM 0 HA SER A 71 -5.550 -6.769 -54.937 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.267 -7.289 -52.833 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.862 -8.937 -52.896 1.00 0.00 H new ATOM 0 HG SER A 71 -3.633 -7.949 -55.227 1.00 0.00 H new ATOM 889 N THR A 72 -5.664 -8.957 -56.291 1.00 0.00 N ATOM 890 CA THR A 72 -6.032 -9.984 -57.246 1.00 0.00 C ATOM 891 C THR A 72 -5.812 -11.383 -56.663 1.00 0.00 C ATOM 892 O THR A 72 -4.857 -11.625 -55.919 1.00 0.00 O ATOM 893 CB THR A 72 -5.238 -9.829 -58.567 1.00 0.00 C ATOM 894 OG1 THR A 72 -5.549 -10.899 -59.469 1.00 0.00 O ATOM 895 CG2 THR A 72 -3.744 -9.805 -58.303 1.00 0.00 C ATOM 0 H THR A 72 -4.825 -8.436 -56.545 1.00 0.00 H new ATOM 0 HA THR A 72 -7.093 -9.861 -57.464 1.00 0.00 H new ATOM 0 HB THR A 72 -5.529 -8.882 -59.021 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.041 -10.785 -60.299 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.209 -9.695 -59.247 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.503 -8.966 -57.650 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.444 -10.736 -57.822 1.00 0.00 H new ATOM 903 N ALA A 73 -6.697 -12.294 -57.004 1.00 0.00 N ATOM 904 CA ALA A 73 -6.637 -13.646 -56.497 1.00 0.00 C ATOM 905 C ALA A 73 -5.809 -14.544 -57.415 1.00 0.00 C ATOM 906 O ALA A 73 -5.495 -14.176 -58.547 1.00 0.00 O ATOM 907 CB ALA A 73 -8.046 -14.197 -56.351 1.00 0.00 C ATOM 0 H ALA A 73 -7.476 -12.119 -57.639 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.151 -13.629 -55.522 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.000 -15.217 -55.969 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.610 -13.574 -55.657 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.540 -14.196 -57.323 1.00 0.00 H new ATOM 913 N CYS A 74 -5.436 -15.710 -56.912 1.00 0.00 N ATOM 914 CA CYS A 74 -4.718 -16.684 -57.712 1.00 0.00 C ATOM 915 C CYS A 74 -5.726 -17.406 -58.594 1.00 0.00 C ATOM 916 O CYS A 74 -6.826 -17.713 -58.148 1.00 0.00 O ATOM 917 CB CYS A 74 -3.989 -17.682 -56.807 1.00 0.00 C ATOM 918 SG CYS A 74 -2.360 -18.204 -57.409 1.00 0.00 S ATOM 0 H CYS A 74 -5.620 -16.003 -55.952 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.971 -16.185 -58.329 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.870 -17.236 -55.819 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.616 -18.565 -56.685 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.443 -17.813 -56.574 1.00 0.00 H new ATOM 923 N LYS A 75 -5.364 -17.666 -59.828 1.00 0.00 N ATOM 924 CA LYS A 75 -6.297 -18.266 -60.775 1.00 0.00 C ATOM 925 C LYS A 75 -6.175 -19.775 -60.808 1.00 0.00 C ATOM 926 O LYS A 75 -6.923 -20.452 -61.514 1.00 0.00 O ATOM 927 CB LYS A 75 -6.049 -17.712 -62.155 1.00 0.00 C ATOM 928 CG LYS A 75 -4.742 -18.175 -62.759 1.00 0.00 C ATOM 929 CD LYS A 75 -4.388 -17.362 -63.967 1.00 0.00 C ATOM 930 CE LYS A 75 -5.457 -17.438 -65.045 1.00 0.00 C ATOM 931 NZ LYS A 75 -5.135 -16.560 -66.197 1.00 0.00 N ATOM 0 H LYS A 75 -4.436 -17.476 -60.206 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.306 -18.018 -60.447 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.869 -18.007 -62.810 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.054 -16.623 -62.108 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.947 -18.096 -62.018 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.817 -19.227 -63.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.244 -16.322 -63.673 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.439 -17.713 -64.373 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.556 -18.468 -65.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.420 -17.149 -64.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.886 -16.637 -66.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.065 -15.574 -65.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.228 -16.852 -66.614 1.00 0.00 H new ATOM 945 N CYS A 76 -5.223 -20.293 -60.072 1.00 0.00 N ATOM 946 CA CYS A 76 -4.996 -21.721 -60.015 1.00 0.00 C ATOM 947 C CYS A 76 -6.188 -22.443 -59.382 1.00 0.00 C ATOM 948 O CYS A 76 -7.086 -21.810 -58.815 1.00 0.00 O ATOM 949 CB CYS A 76 -3.738 -22.004 -59.223 1.00 0.00 C ATOM 950 SG CYS A 76 -2.275 -21.243 -59.920 1.00 0.00 S ATOM 0 H CYS A 76 -4.585 -19.742 -59.497 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.878 -22.093 -61.033 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.872 -21.648 -58.202 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.587 -23.082 -59.168 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.011 -20.143 -59.279 1.00 0.00 H new ATOM 955 N ALA A 77 -6.186 -23.756 -59.468 1.00 0.00 N ATOM 956 CA ALA A 77 -7.267 -24.557 -58.925 1.00 0.00 C ATOM 957 C ALA A 77 -6.720 -25.750 -58.173 1.00 0.00 C ATOM 958 O ALA A 77 -5.502 -25.954 -58.125 1.00 0.00 O ATOM 959 CB ALA A 77 -8.184 -25.023 -60.035 1.00 0.00 C ATOM 0 H ALA A 77 -5.443 -24.296 -59.912 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.836 -23.938 -58.231 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.990 -25.623 -59.613 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.605 -24.157 -60.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.618 -25.625 -60.746 1.00 0.00 H new ATOM 965 N ALA A 78 -7.615 -26.543 -57.598 1.00 0.00 N ATOM 966 CA ALA A 78 -7.229 -27.727 -56.848 1.00 0.00 C ATOM 967 C ALA A 78 -6.560 -28.748 -57.756 1.00 0.00 C ATOM 968 O ALA A 78 -7.225 -29.500 -58.472 1.00 0.00 O ATOM 969 CB ALA A 78 -8.434 -28.340 -56.151 1.00 0.00 C ATOM 0 H ALA A 78 -8.622 -26.384 -57.639 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.510 -27.425 -56.087 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.122 -29.225 -55.596 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.865 -27.613 -55.463 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.180 -28.622 -56.894 1.00 0.00 H new ATOM 975 N GLY A 79 -5.245 -28.726 -57.757 1.00 0.00 N ATOM 976 CA GLY A 79 -4.485 -29.647 -58.565 1.00 0.00 C ATOM 977 C GLY A 79 -4.127 -29.049 -59.901 1.00 0.00 C ATOM 978 O GLY A 79 -3.741 -29.760 -60.827 1.00 0.00 O ATOM 0 H GLY A 79 -4.682 -28.079 -57.206 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.574 -29.929 -58.037 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.061 -30.560 -58.717 1.00 0.00 H new ATOM 982 N SER A 80 -4.262 -27.738 -60.005 1.00 0.00 N ATOM 983 CA SER A 80 -3.960 -27.032 -61.229 1.00 0.00 C ATOM 984 C SER A 80 -3.164 -25.763 -60.931 1.00 0.00 C ATOM 985 O SER A 80 -3.739 -24.709 -60.672 1.00 0.00 O ATOM 986 CB SER A 80 -5.256 -26.684 -61.958 1.00 0.00 C ATOM 987 OG SER A 80 -6.066 -27.839 -62.123 1.00 0.00 O ATOM 0 H SER A 80 -4.583 -27.139 -59.244 1.00 0.00 H new ATOM 0 HA SER A 80 -3.354 -27.676 -61.867 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.803 -25.927 -61.396 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.026 -26.253 -62.932 1.00 0.00 H new ATOM 0 HG SER A 80 -6.892 -27.595 -62.591 1.00 0.00 H new ATOM 993 N CYS A 81 -1.849 -25.886 -60.941 1.00 0.00 N ATOM 994 CA CYS A 81 -0.957 -24.764 -60.668 1.00 0.00 C ATOM 995 C CYS A 81 -0.056 -24.504 -61.882 1.00 0.00 C ATOM 996 O CYS A 81 0.795 -25.334 -62.221 1.00 0.00 O ATOM 997 CB CYS A 81 -0.110 -25.074 -59.423 1.00 0.00 C ATOM 998 SG CYS A 81 1.050 -23.774 -58.945 1.00 0.00 S ATOM 0 H CYS A 81 -1.366 -26.763 -61.138 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.547 -23.867 -60.479 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.780 -25.268 -58.585 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.450 -25.992 -59.602 1.00 0.00 H new ATOM 0 HG CYS A 81 0.650 -22.636 -59.430 1.00 0.00 H new ATOM 1003 N LYS A 82 -0.246 -23.361 -62.542 1.00 0.00 N ATOM 1004 CA LYS A 82 0.530 -23.045 -63.749 1.00 0.00 C ATOM 1005 C LYS A 82 1.584 -21.970 -63.511 1.00 0.00 C ATOM 1006 O LYS A 82 2.560 -21.879 -64.259 1.00 0.00 O ATOM 1007 CB LYS A 82 -0.376 -22.629 -64.911 1.00 0.00 C ATOM 1008 CG LYS A 82 -1.303 -21.462 -64.607 1.00 0.00 C ATOM 1009 CD LYS A 82 -2.686 -21.932 -64.220 1.00 0.00 C ATOM 1010 CE LYS A 82 -3.390 -22.665 -65.367 1.00 0.00 C ATOM 1011 NZ LYS A 82 -3.611 -21.786 -66.544 1.00 0.00 N ATOM 0 H LYS A 82 -0.920 -22.646 -62.269 1.00 0.00 H new ATOM 0 HA LYS A 82 1.048 -23.967 -64.014 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.248 -22.367 -65.765 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.979 -23.487 -65.209 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.882 -20.864 -63.798 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.370 -20.814 -65.481 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.615 -22.594 -63.357 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.287 -21.075 -63.915 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.793 -23.526 -65.666 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.349 -23.048 -65.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.234 -22.266 -67.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.055 -20.898 -66.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.699 -21.578 -66.998 1.00 0.00 H new ATOM 1025 N CYS A 83 1.397 -21.161 -62.489 1.00 0.00 N ATOM 1026 CA CYS A 83 2.348 -20.101 -62.185 1.00 0.00 C ATOM 1027 C CYS A 83 3.658 -20.692 -61.682 1.00 0.00 C ATOM 1028 O CYS A 83 4.737 -20.147 -61.924 1.00 0.00 O ATOM 1029 CB CYS A 83 1.761 -19.158 -61.155 1.00 0.00 C ATOM 1030 SG CYS A 83 1.104 -20.009 -59.724 1.00 0.00 S ATOM 0 H CYS A 83 0.600 -21.213 -61.854 1.00 0.00 H new ATOM 0 HA CYS A 83 2.553 -19.540 -63.097 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.530 -18.456 -60.832 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.968 -18.571 -61.618 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.118 -20.383 -59.964 1.00 0.00 H new ATOM 1035 N GLY A 84 3.556 -21.814 -60.988 1.00 0.00 N ATOM 1036 CA GLY A 84 4.732 -22.489 -60.503 1.00 0.00 C ATOM 1037 C GLY A 84 5.128 -22.044 -59.117 1.00 0.00 C ATOM 1038 O GLY A 84 6.283 -22.189 -58.720 1.00 0.00 O ATOM 0 H GLY A 84 2.674 -22.268 -60.753 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.553 -23.564 -60.498 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.559 -22.307 -61.189 1.00 0.00 H new ATOM 1042 N LYS A 85 4.182 -21.493 -58.380 1.00 0.00 N ATOM 1043 CA LYS A 85 4.451 -21.043 -57.026 1.00 0.00 C ATOM 1044 C LYS A 85 3.910 -22.041 -56.003 1.00 0.00 C ATOM 1045 O LYS A 85 3.974 -21.811 -54.790 1.00 0.00 O ATOM 1046 CB LYS A 85 3.879 -19.640 -56.800 1.00 0.00 C ATOM 1047 CG LYS A 85 4.506 -18.566 -57.700 1.00 0.00 C ATOM 1048 CD LYS A 85 6.006 -18.382 -57.425 1.00 0.00 C ATOM 1049 CE LYS A 85 6.247 -17.829 -56.027 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.690 -17.657 -55.738 1.00 0.00 N ATOM 0 H LYS A 85 3.223 -21.346 -58.694 1.00 0.00 H new ATOM 0 HA LYS A 85 5.531 -20.987 -56.889 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.803 -19.664 -56.973 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.028 -19.360 -55.757 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.361 -18.840 -58.745 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.991 -17.618 -57.545 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.518 -19.338 -57.534 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.434 -17.705 -58.165 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.740 -16.869 -55.925 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.808 -18.502 -55.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.809 -17.279 -54.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.170 -18.577 -55.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.105 -16.995 -56.424 1.00 0.00 H new ATOM 1064 N GLY A 86 3.391 -23.158 -56.505 1.00 0.00 N ATOM 1065 CA GLY A 86 2.906 -24.220 -55.642 1.00 0.00 C ATOM 1066 C GLY A 86 1.630 -23.863 -54.919 1.00 0.00 C ATOM 1067 O GLY A 86 1.409 -24.295 -53.786 1.00 0.00 O ATOM 0 H GLY A 86 3.297 -23.347 -57.503 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.739 -25.117 -56.239 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.675 -24.464 -54.909 1.00 0.00 H new ATOM 1071 N CYS A 87 0.798 -23.079 -55.556 1.00 0.00 N ATOM 1072 CA CYS A 87 -0.460 -22.673 -54.982 1.00 0.00 C ATOM 1073 C CYS A 87 -1.615 -23.184 -55.824 1.00 0.00 C ATOM 1074 O CYS A 87 -1.679 -22.942 -57.020 1.00 0.00 O ATOM 1075 CB CYS A 87 -0.501 -21.157 -54.862 1.00 0.00 C ATOM 1076 SG CYS A 87 0.292 -20.303 -56.236 1.00 0.00 S ATOM 0 H CYS A 87 0.974 -22.704 -56.488 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.557 -23.104 -53.986 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.540 -20.834 -54.795 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.015 -20.861 -53.932 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.562 -19.501 -56.799 1.00 0.00 H new ATOM 1081 N THR A 88 -2.515 -23.906 -55.203 1.00 0.00 N ATOM 1082 CA THR A 88 -3.640 -24.464 -55.911 1.00 0.00 C ATOM 1083 C THR A 88 -4.917 -23.662 -55.659 1.00 0.00 C ATOM 1084 O THR A 88 -5.894 -24.177 -55.115 1.00 0.00 O ATOM 1085 CB THR A 88 -3.848 -25.941 -55.535 1.00 0.00 C ATOM 1086 OG1 THR A 88 -3.766 -26.101 -54.109 1.00 0.00 O ATOM 1087 CG2 THR A 88 -2.798 -26.818 -56.209 1.00 0.00 C ATOM 0 H THR A 88 -2.490 -24.121 -54.206 1.00 0.00 H new ATOM 0 HA THR A 88 -3.415 -24.407 -56.976 1.00 0.00 H new ATOM 0 HB THR A 88 -4.836 -26.248 -55.878 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.901 -27.044 -53.877 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.961 -27.859 -55.931 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.878 -26.714 -57.291 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.804 -26.508 -55.887 1.00 0.00 H new ATOM 1095 N GLY A 89 -4.889 -22.399 -56.040 1.00 0.00 N ATOM 1096 CA GLY A 89 -6.048 -21.543 -55.877 1.00 0.00 C ATOM 1097 C GLY A 89 -5.789 -20.418 -54.906 1.00 0.00 C ATOM 1098 O GLY A 89 -4.795 -20.450 -54.187 1.00 0.00 O ATOM 0 H GLY A 89 -4.080 -21.945 -56.463 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.331 -21.129 -56.845 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.891 -22.138 -55.526 1.00 0.00 H new ATOM 1102 N PRO A 90 -6.667 -19.397 -54.857 1.00 0.00 N ATOM 1103 CA PRO A 90 -6.512 -18.248 -53.943 1.00 0.00 C ATOM 1104 C PRO A 90 -6.459 -18.659 -52.471 1.00 0.00 C ATOM 1105 O PRO A 90 -5.897 -17.953 -51.646 1.00 0.00 O ATOM 1106 CB PRO A 90 -7.765 -17.408 -54.211 1.00 0.00 C ATOM 1107 CG PRO A 90 -8.718 -18.353 -54.854 1.00 0.00 C ATOM 1108 CD PRO A 90 -7.878 -19.262 -55.686 1.00 0.00 C ATOM 0 HA PRO A 90 -5.574 -17.721 -54.121 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.174 -17.000 -53.287 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.544 -16.563 -54.863 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.280 -18.913 -54.106 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.445 -17.820 -55.467 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.364 -20.222 -55.860 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.658 -18.834 -56.664 1.00 0.00 H new ATOM 1116 N ASP A 91 -7.035 -19.807 -52.156 1.00 0.00 N ATOM 1117 CA ASP A 91 -7.045 -20.311 -50.785 1.00 0.00 C ATOM 1118 C ASP A 91 -5.675 -20.868 -50.421 1.00 0.00 C ATOM 1119 O ASP A 91 -5.282 -20.882 -49.256 1.00 0.00 O ATOM 1120 CB ASP A 91 -8.110 -21.400 -50.623 1.00 0.00 C ATOM 1121 CG ASP A 91 -7.773 -22.663 -51.389 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -7.647 -22.594 -52.629 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -7.636 -23.732 -50.759 1.00 0.00 O ATOM 0 H ASP A 91 -7.504 -20.412 -52.830 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.283 -19.485 -50.115 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.221 -21.640 -49.566 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.071 -21.017 -50.966 1.00 0.00 H new ATOM 1128 N SER A 92 -4.954 -21.318 -51.426 1.00 0.00 N ATOM 1129 CA SER A 92 -3.633 -21.872 -51.235 1.00 0.00 C ATOM 1130 C SER A 92 -2.574 -20.811 -51.499 1.00 0.00 C ATOM 1131 O SER A 92 -1.455 -20.899 -50.999 1.00 0.00 O ATOM 1132 CB SER A 92 -3.435 -23.068 -52.169 1.00 0.00 C ATOM 1133 OG SER A 92 -2.155 -23.658 -52.010 1.00 0.00 O ATOM 0 H SER A 92 -5.268 -21.310 -52.397 1.00 0.00 H new ATOM 0 HA SER A 92 -3.533 -22.209 -50.203 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.205 -23.814 -51.972 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.560 -22.746 -53.203 1.00 0.00 H new ATOM 0 HG SER A 92 -2.209 -24.616 -52.210 1.00 0.00 H new ATOM 1139 N CYS A 93 -2.939 -19.814 -52.282 1.00 0.00 N ATOM 1140 CA CYS A 93 -2.026 -18.746 -52.626 1.00 0.00 C ATOM 1141 C CYS A 93 -1.797 -17.830 -51.447 1.00 0.00 C ATOM 1142 O CYS A 93 -2.712 -17.174 -50.971 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.561 -17.945 -53.806 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.496 -16.576 -54.329 1.00 0.00 S ATOM 0 H CYS A 93 -3.868 -19.723 -52.693 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.074 -19.197 -52.905 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.706 -18.619 -54.650 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.541 -17.547 -53.544 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.230 -15.547 -54.635 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.584 -17.817 -50.968 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.196 -16.948 -49.880 1.00 0.00 C ATOM 1151 C LYS A 94 1.020 -16.158 -50.313 1.00 0.00 C ATOM 1152 O LYS A 94 1.843 -15.742 -49.496 1.00 0.00 O ATOM 1153 CB LYS A 94 0.103 -17.774 -48.625 1.00 0.00 C ATOM 1154 CG LYS A 94 -1.096 -18.572 -48.127 1.00 0.00 C ATOM 1155 CD LYS A 94 -0.765 -19.393 -46.890 1.00 0.00 C ATOM 1156 CE LYS A 94 0.277 -20.457 -47.182 1.00 0.00 C ATOM 1157 NZ LYS A 94 0.526 -21.325 -46.004 1.00 0.00 N ATOM 0 H LYS A 94 0.169 -18.409 -51.319 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.007 -16.261 -49.636 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.924 -18.459 -48.837 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.441 -17.107 -47.832 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.915 -17.890 -47.900 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.443 -19.235 -48.919 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.400 -18.733 -46.103 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.672 -19.866 -46.514 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.054 -21.069 -48.021 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.209 -19.979 -47.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.244 -22.039 -46.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.867 -20.745 -45.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.357 -21.801 -45.730 1.00 0.00 H new ATOM 1171 N CYS A 95 1.110 -15.957 -51.615 1.00 0.00 N ATOM 1172 CA CYS A 95 2.224 -15.270 -52.225 1.00 0.00 C ATOM 1173 C CYS A 95 1.873 -13.805 -52.489 1.00 0.00 C ATOM 1174 O CYS A 95 0.780 -13.352 -52.164 1.00 0.00 O ATOM 1175 CB CYS A 95 2.584 -15.966 -53.538 1.00 0.00 C ATOM 1176 SG CYS A 95 2.695 -17.771 -53.407 1.00 0.00 S ATOM 0 H CYS A 95 0.404 -16.270 -52.281 1.00 0.00 H new ATOM 0 HA CYS A 95 3.077 -15.300 -51.547 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.837 -15.711 -54.289 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.539 -15.578 -53.894 1.00 0.00 H new ATOM 0 HG CYS A 95 2.369 -18.310 -54.544 1.00 0.00 H new ATOM 1181 N ASP A 96 2.807 -13.077 -53.079 1.00 0.00 N ATOM 1182 CA ASP A 96 2.601 -11.666 -53.391 1.00 0.00 C ATOM 1183 C ASP A 96 2.247 -11.500 -54.866 1.00 0.00 C ATOM 1184 O ASP A 96 1.879 -12.466 -55.544 1.00 0.00 O ATOM 1185 CB ASP A 96 3.867 -10.856 -53.075 1.00 0.00 C ATOM 1186 CG ASP A 96 4.331 -10.995 -51.640 1.00 0.00 C ATOM 1187 OD1 ASP A 96 3.922 -10.182 -50.792 1.00 0.00 O ATOM 1188 OD2 ASP A 96 5.134 -11.909 -51.357 1.00 0.00 O ATOM 0 H ASP A 96 3.720 -13.439 -53.354 1.00 0.00 H new ATOM 0 HA ASP A 96 1.779 -11.296 -52.778 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.669 -11.176 -53.740 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.678 -9.804 -53.287 1.00 0.00 H new ATOM 1193 N ARG A 97 2.394 -10.279 -55.371 1.00 0.00 N ATOM 1194 CA ARG A 97 2.096 -9.964 -56.774 1.00 0.00 C ATOM 1195 C ARG A 97 3.149 -10.563 -57.724 1.00 0.00 C ATOM 1196 O ARG A 97 3.106 -10.332 -58.931 1.00 0.00 O ATOM 1197 CB ARG A 97 2.038 -8.447 -56.971 1.00 0.00 C ATOM 1198 CG ARG A 97 3.349 -7.732 -56.675 1.00 0.00 C ATOM 1199 CD ARG A 97 3.242 -6.240 -56.937 1.00 0.00 C ATOM 1200 NE ARG A 97 4.474 -5.535 -56.596 1.00 0.00 N ATOM 1201 CZ ARG A 97 4.725 -4.270 -56.925 1.00 0.00 C ATOM 1202 NH1 ARG A 97 3.826 -3.571 -57.609 1.00 0.00 N ATOM 1203 NH2 ARG A 97 5.869 -3.706 -56.564 1.00 0.00 N ATOM 0 H ARG A 97 2.721 -9.480 -54.827 1.00 0.00 H new ATOM 0 HA ARG A 97 1.128 -10.405 -57.013 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.745 -8.236 -58.000 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.260 -8.037 -56.327 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.630 -7.900 -55.635 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.142 -8.155 -57.292 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.008 -6.072 -57.988 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.416 -5.828 -56.357 1.00 0.00 H new ATOM 0 HE ARG A 97 5.187 -6.044 -56.073 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.944 -4.004 -57.882 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.018 -2.602 -57.861 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.557 -4.241 -56.034 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.062 -2.737 -56.816 1.00 0.00 H new ATOM 1217 N SER A 98 4.085 -11.335 -57.168 1.00 0.00 N ATOM 1218 CA SER A 98 5.155 -11.950 -57.947 1.00 0.00 C ATOM 1219 C SER A 98 4.594 -12.960 -58.961 1.00 0.00 C ATOM 1220 O SER A 98 5.253 -13.293 -59.952 1.00 0.00 O ATOM 1221 CB SER A 98 6.173 -12.626 -57.016 1.00 0.00 C ATOM 1222 OG SER A 98 7.305 -13.094 -57.737 1.00 0.00 O ATOM 0 H SER A 98 4.121 -11.549 -56.171 1.00 0.00 H new ATOM 0 HA SER A 98 5.662 -11.163 -58.506 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.494 -11.919 -56.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.698 -13.460 -56.500 1.00 0.00 H new ATOM 0 HG SER A 98 7.935 -13.518 -57.117 1.00 0.00 H new ATOM 1228 N CYS A 99 3.392 -13.450 -58.700 1.00 0.00 N ATOM 1229 CA CYS A 99 2.725 -14.362 -59.611 1.00 0.00 C ATOM 1230 C CYS A 99 2.413 -13.658 -60.931 1.00 0.00 C ATOM 1231 O CYS A 99 1.743 -12.630 -60.951 1.00 0.00 O ATOM 1232 CB CYS A 99 1.434 -14.876 -58.985 1.00 0.00 C ATOM 1233 SG CYS A 99 1.657 -16.061 -57.636 1.00 0.00 S ATOM 0 H CYS A 99 2.858 -13.229 -57.860 1.00 0.00 H new ATOM 0 HA CYS A 99 3.388 -15.205 -59.807 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.866 -14.025 -58.610 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.832 -15.344 -59.764 1.00 0.00 H new ATOM 0 HG CYS A 99 0.495 -16.425 -57.182 1.00 0.00 H new ATOM 1238 N SER A 100 2.892 -14.215 -62.022 1.00 0.00 N ATOM 1239 CA SER A 100 2.674 -13.636 -63.336 1.00 0.00 C ATOM 1240 C SER A 100 1.318 -14.051 -63.900 1.00 0.00 C ATOM 1241 O SER A 100 0.979 -13.736 -65.036 1.00 0.00 O ATOM 1242 CB SER A 100 3.796 -14.052 -64.280 1.00 0.00 C ATOM 1243 OG SER A 100 5.062 -13.696 -63.746 1.00 0.00 O ATOM 0 H SER A 100 3.440 -15.075 -62.027 1.00 0.00 H new ATOM 0 HA SER A 100 2.677 -12.550 -63.239 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.756 -15.128 -64.447 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.658 -13.574 -65.250 1.00 0.00 H new ATOM 0 HG SER A 100 5.768 -13.973 -64.366 1.00 0.00 H new ATOM 1249 N CYS A 101 0.547 -14.747 -63.090 1.00 0.00 N ATOM 1250 CA CYS A 101 -0.771 -15.200 -63.483 1.00 0.00 C ATOM 1251 C CYS A 101 -1.822 -14.170 -63.090 1.00 0.00 C ATOM 1252 O CYS A 101 -3.008 -14.356 -63.343 1.00 0.00 O ATOM 1253 CB CYS A 101 -1.078 -16.518 -62.792 1.00 0.00 C ATOM 1254 SG CYS A 101 -1.102 -16.394 -60.988 1.00 0.00 S ATOM 0 H CYS A 101 0.816 -15.014 -62.143 1.00 0.00 H new ATOM 0 HA CYS A 101 -0.791 -15.334 -64.565 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.045 -16.884 -63.137 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.334 -17.257 -63.088 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.373 -17.558 -60.477 1.00 0.00 H new ATOM 1259 N LYS A 102 -1.375 -13.089 -62.459 1.00 0.00 N ATOM 1260 CA LYS A 102 -2.279 -12.052 -61.979 1.00 0.00 C ATOM 1261 C LYS A 102 -2.866 -11.239 -63.135 1.00 0.00 C ATOM 1262 O LYS A 102 -3.963 -11.619 -63.635 1.00 0.00 O ATOM 1263 CB LYS A 102 -1.566 -11.116 -60.999 1.00 0.00 C ATOM 1264 CG LYS A 102 -0.960 -11.805 -59.774 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.905 -12.834 -59.163 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.439 -13.263 -57.767 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.802 -14.679 -57.451 1.00 0.00 N ATOM 0 H LYS A 102 -0.389 -12.909 -62.268 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.097 -12.553 -61.461 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.773 -10.592 -61.532 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.275 -10.361 -60.659 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.028 -12.294 -60.059 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.710 -11.054 -59.024 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.909 -12.415 -59.100 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.964 -13.707 -59.813 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.358 -13.144 -57.696 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.882 -12.603 -57.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.246 -15.006 -56.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.815 -14.735 -57.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.597 -15.282 -58.273 1.00 0.00 H new