USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=53 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= 0.771 USER MOD Set 1.2: A 92 SER OG : rot -160:sc= 1.8 USER MOD Set 2.1: A 74 CYS SG : rot -175:sc= -0.324 USER MOD Set 2.2: A 76 CYS SG : rot 180:sc= 0.805 USER MOD Set 2.3: A 83 CYS SG : rot -123:sc= 0.982 USER MOD Set 2.4: A 87 CYS SG : rot -178:sc= 0.114 USER MOD Set 2.5: A 93 CYS SG : rot 136:sc= 0.165 USER MOD Set 2.6: A 99 CYS SG : rot -76:sc= 0.789 USER MOD Set 3.1: A 85 LYS NZ :NH3+ -173:sc=-0.00103 (180deg=-0.0488) USER MOD Set 3.2: A 95 CYS SG : rot 170:sc= 0 USER MOD Set 4.1: A 43 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 47 CYS SG : rot -24:sc= 0.0621 USER MOD Set 4.3: A 59 CYS SG : rot 180:sc= -0.0193 USER MOD Set 4.4: A 61 CYS SG : rot 180:sc= 0.248 USER MOD Set 4.5: A 65 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 20 CYS SG : rot -4:sc= -2.5! USER MOD Set 5.2: A 32 CYS SG : rot 180:sc= 0.129 USER MOD Set 5.3: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 5.4: A 36 SER OG : rot 150:sc= 0 USER MOD Set 5.5: A 37 CYS SG : rot 180:sc= -0.244 USER MOD Set 6.1: A 22 CYS SG : rot -40:sc= -0.381 USER MOD Set 6.2: A 28 CYS SG : rot 180:sc= 0.0983 USER MOD Set 7.1: A 12 THR OG1 : rot -170:sc= -0.0485 USER MOD Set 7.2: A 14 THR OG1 : rot 180:sc= 0.005 USER MOD Set 7.3: A 27 ASN : amide:sc= -0.325 K(o=-0.37,f=-0.99) USER MOD Set 8.1: A 11 CYS SG : rot -100:sc= -1.29 USER MOD Set 8.2: A 15 CYS SG : rot -33:sc= 0.15 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.0558 (180deg=-0.403) USER MOD Single : A 17 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.1) USER MOD Single : A 18 THR OG1 : rot 52:sc=0.000129 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.042) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.18) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.00836 (180deg=0.00774) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.82 F(o=-3,f=-1.8) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -1.2! USER MOD Single : A 54 CYS SG : rot 180:sc= -0.58 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 60 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 62 THR OG1 : rot -140:sc= -1.02 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0299 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -93:sc= -0.37 USER MOD Single : A 72 THR OG1 : rot -17:sc= -1.6! 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 81 CYS SG : rot 180:sc= -0.575 USER MOD Single : A 82 LYS NZ :NH3+ 133:sc= -0.0898 (180deg=-0.396) USER MOD Single : A 94 LYS NZ :NH3+ -112:sc= -0.337 (180deg=-2.02!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 160:sc= -0.104 USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= 1.03 (180deg=0.588) USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -2.402 -8.307 -18.639 1.00 0.00 N ATOM 94 CA GLY A 8 -3.424 -8.291 -19.642 1.00 0.00 C ATOM 95 C GLY A 8 -4.015 -6.925 -19.891 1.00 0.00 C ATOM 96 O GLY A 8 -4.052 -6.457 -21.025 1.00 0.00 O ATOM 0 HA2 GLY A 8 -3.010 -8.672 -20.575 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.221 -8.972 -19.345 1.00 0.00 H new ATOM 100 N ALA A 9 -4.446 -6.276 -18.836 1.00 0.00 N ATOM 101 CA ALA A 9 -5.099 -4.972 -18.948 1.00 0.00 C ATOM 102 C ALA A 9 -4.097 -3.833 -18.829 1.00 0.00 C ATOM 103 O ALA A 9 -4.473 -2.671 -18.670 1.00 0.00 O ATOM 104 CB ALA A 9 -6.186 -4.835 -17.892 1.00 0.00 C ATOM 0 H ALA A 9 -4.361 -6.623 -17.881 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.554 -4.910 -19.937 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.664 -3.860 -17.986 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.930 -5.619 -18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.743 -4.928 -16.900 1.00 0.00 H new ATOM 110 N GLY A 10 -2.825 -4.165 -18.926 1.00 0.00 N ATOM 111 CA GLY A 10 -1.784 -3.166 -18.830 1.00 0.00 C ATOM 112 C GLY A 10 -1.568 -2.443 -20.140 1.00 0.00 C ATOM 113 O GLY A 10 -0.491 -2.519 -20.731 1.00 0.00 O ATOM 0 H GLY A 10 -2.490 -5.117 -19.071 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.045 -2.444 -18.057 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.853 -3.641 -18.521 1.00 0.00 H new ATOM 117 N CYS A 11 -2.595 -1.765 -20.603 1.00 0.00 N ATOM 118 CA CYS A 11 -2.516 -1.015 -21.836 1.00 0.00 C ATOM 119 C CYS A 11 -1.892 0.348 -21.625 1.00 0.00 C ATOM 120 O CYS A 11 -1.553 0.733 -20.503 1.00 0.00 O ATOM 121 CB CYS A 11 -3.887 -0.877 -22.482 1.00 0.00 C ATOM 122 SG CYS A 11 -4.490 -2.400 -23.221 1.00 0.00 S ATOM 0 H CYS A 11 -3.502 -1.718 -20.139 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.870 -1.576 -22.511 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.601 -0.540 -21.731 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.842 -0.104 -23.249 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.293 -2.367 -24.506 1.00 0.00 H new ATOM 127 N THR A 12 -1.758 1.078 -22.701 1.00 0.00 N ATOM 128 CA THR A 12 -1.132 2.364 -22.669 1.00 0.00 C ATOM 129 C THR A 12 -2.150 3.460 -22.956 1.00 0.00 C ATOM 130 O THR A 12 -3.234 3.189 -23.481 1.00 0.00 O ATOM 131 CB THR A 12 0.025 2.429 -23.700 1.00 0.00 C ATOM 132 OG1 THR A 12 0.697 3.691 -23.627 1.00 0.00 O ATOM 133 CG2 THR A 12 -0.498 2.205 -25.116 1.00 0.00 C ATOM 0 H THR A 12 -2.083 0.792 -23.625 1.00 0.00 H new ATOM 0 HA THR A 12 -0.722 2.521 -21.671 1.00 0.00 H new ATOM 0 HB THR A 12 0.733 1.637 -23.457 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.315 3.777 -24.383 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.331 2.255 -25.822 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.970 1.224 -25.179 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.229 2.976 -25.360 1.00 0.00 H new ATOM 141 N ASP A 13 -1.798 4.687 -22.607 1.00 0.00 N ATOM 142 CA ASP A 13 -2.651 5.846 -22.850 1.00 0.00 C ATOM 143 C ASP A 13 -2.951 5.969 -24.339 1.00 0.00 C ATOM 144 O ASP A 13 -4.070 6.281 -24.740 1.00 0.00 O ATOM 145 CB ASP A 13 -1.948 7.116 -22.354 1.00 0.00 C ATOM 146 CG ASP A 13 -2.775 8.371 -22.545 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.726 8.964 -23.644 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.462 8.785 -21.587 1.00 0.00 O ATOM 0 H ASP A 13 -0.915 4.911 -22.148 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.589 5.719 -22.310 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.711 7.003 -21.296 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.001 7.229 -22.882 1.00 0.00 H new ATOM 153 N THR A 14 -1.945 5.665 -25.146 1.00 0.00 N ATOM 154 CA THR A 14 -2.030 5.745 -26.598 1.00 0.00 C ATOM 155 C THR A 14 -3.102 4.799 -27.166 1.00 0.00 C ATOM 156 O THR A 14 -3.559 4.962 -28.301 1.00 0.00 O ATOM 157 CB THR A 14 -0.660 5.406 -27.210 1.00 0.00 C ATOM 158 OG1 THR A 14 0.358 6.129 -26.504 1.00 0.00 O ATOM 159 CG2 THR A 14 -0.610 5.778 -28.679 1.00 0.00 C ATOM 0 H THR A 14 -1.035 5.352 -24.807 1.00 0.00 H new ATOM 0 HA THR A 14 -2.318 6.763 -26.861 1.00 0.00 H new ATOM 0 HB THR A 14 -0.496 4.332 -27.123 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.235 5.917 -26.887 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.370 5.527 -29.085 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.379 5.227 -29.220 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.785 6.848 -28.789 1.00 0.00 H new ATOM 167 N CYS A 15 -3.521 3.850 -26.362 1.00 0.00 N ATOM 168 CA CYS A 15 -4.500 2.873 -26.781 1.00 0.00 C ATOM 169 C CYS A 15 -5.924 3.387 -26.552 1.00 0.00 C ATOM 170 O CYS A 15 -6.899 2.744 -26.918 1.00 0.00 O ATOM 171 CB CYS A 15 -4.279 1.585 -26.012 1.00 0.00 C ATOM 172 SG CYS A 15 -5.314 0.220 -26.542 1.00 0.00 S ATOM 0 H CYS A 15 -3.195 3.733 -25.403 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.379 2.690 -27.849 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.234 1.292 -26.110 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.459 1.772 -24.953 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.463 0.677 -26.942 1.00 0.00 H new ATOM 177 N LYS A 16 -6.038 4.548 -25.955 1.00 0.00 N ATOM 178 CA LYS A 16 -7.342 5.112 -25.661 1.00 0.00 C ATOM 179 C LYS A 16 -7.599 6.327 -26.527 1.00 0.00 C ATOM 180 O LYS A 16 -8.469 7.142 -26.235 1.00 0.00 O ATOM 181 CB LYS A 16 -7.410 5.484 -24.190 1.00 0.00 C ATOM 182 CG LYS A 16 -6.974 4.354 -23.279 1.00 0.00 C ATOM 183 CD LYS A 16 -6.987 4.765 -21.828 1.00 0.00 C ATOM 184 CE LYS A 16 -8.403 4.962 -21.308 1.00 0.00 C ATOM 185 NZ LYS A 16 -9.211 3.716 -21.399 1.00 0.00 N ATOM 0 H LYS A 16 -5.248 5.123 -25.662 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.111 4.371 -25.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.779 6.354 -24.010 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.431 5.774 -23.940 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.635 3.498 -23.420 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.970 4.031 -23.556 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.483 4.005 -21.231 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.424 5.690 -21.708 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.365 5.294 -20.270 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.891 5.753 -21.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.030 3.786 -20.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.542 3.587 -22.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.626 2.902 -21.122 1.00 0.00 H new ATOM 199 N GLN A 17 -6.842 6.432 -27.600 1.00 0.00 N ATOM 200 CA GLN A 17 -6.950 7.568 -28.506 1.00 0.00 C ATOM 201 C GLN A 17 -8.020 7.332 -29.560 1.00 0.00 C ATOM 202 O GLN A 17 -8.502 6.209 -29.732 1.00 0.00 O ATOM 203 CB GLN A 17 -5.612 7.840 -29.193 1.00 0.00 C ATOM 204 CG GLN A 17 -4.432 7.943 -28.250 1.00 0.00 C ATOM 205 CD GLN A 17 -4.661 8.925 -27.134 1.00 0.00 C ATOM 206 OE1 GLN A 17 -4.406 10.119 -27.283 1.00 0.00 O ATOM 207 NE2 GLN A 17 -5.103 8.443 -26.005 1.00 0.00 N ATOM 0 H GLN A 17 -6.140 5.743 -27.871 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.232 8.435 -27.909 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.418 7.044 -29.912 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.691 8.768 -29.759 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.225 6.960 -27.826 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.547 8.240 -28.813 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.304 7.447 -25.920 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.248 9.063 -25.208 1.00 0.00 H new ATOM 216 N THR A 18 -8.381 8.392 -30.266 1.00 0.00 N ATOM 217 CA THR A 18 -9.371 8.317 -31.331 1.00 0.00 C ATOM 218 C THR A 18 -9.002 9.259 -32.493 1.00 0.00 C ATOM 219 O THR A 18 -9.149 10.478 -32.381 1.00 0.00 O ATOM 220 CB THR A 18 -10.783 8.660 -30.804 1.00 0.00 C ATOM 221 OG1 THR A 18 -10.697 9.727 -29.843 1.00 0.00 O ATOM 222 CG2 THR A 18 -11.435 7.445 -30.159 1.00 0.00 C ATOM 0 H THR A 18 -7.998 9.326 -30.118 1.00 0.00 H new ATOM 0 HA THR A 18 -9.378 7.291 -31.700 1.00 0.00 H new ATOM 0 HB THR A 18 -11.396 8.973 -31.649 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.187 10.471 -30.225 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.427 7.714 -29.797 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.522 6.645 -30.894 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.824 7.105 -29.323 1.00 0.00 H new ATOM 230 N PRO A 19 -8.473 8.706 -33.614 1.00 0.00 N ATOM 231 CA PRO A 19 -8.208 7.268 -33.759 1.00 0.00 C ATOM 232 C PRO A 19 -7.099 6.802 -32.827 1.00 0.00 C ATOM 233 O PRO A 19 -6.274 7.604 -32.377 1.00 0.00 O ATOM 234 CB PRO A 19 -7.764 7.115 -35.219 1.00 0.00 C ATOM 235 CG PRO A 19 -8.158 8.390 -35.887 1.00 0.00 C ATOM 236 CD PRO A 19 -8.104 9.446 -34.828 1.00 0.00 C ATOM 0 HA PRO A 19 -9.084 6.670 -33.507 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.689 6.951 -35.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.248 6.259 -35.689 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.480 8.626 -36.708 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.159 8.315 -36.312 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.111 9.887 -34.747 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.799 10.260 -35.033 1.00 0.00 H new ATOM 244 N CYS A 20 -7.086 5.518 -32.538 1.00 0.00 N ATOM 245 CA CYS A 20 -6.124 4.949 -31.618 1.00 0.00 C ATOM 246 C CYS A 20 -4.698 5.138 -32.135 1.00 0.00 C ATOM 247 O CYS A 20 -4.415 4.902 -33.311 1.00 0.00 O ATOM 248 CB CYS A 20 -6.428 3.478 -31.393 1.00 0.00 C ATOM 249 SG CYS A 20 -5.709 2.791 -29.894 1.00 0.00 S ATOM 0 H CYS A 20 -7.739 4.841 -32.932 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.203 5.471 -30.664 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.509 3.344 -31.357 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.065 2.909 -32.249 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.979 3.694 -29.310 1.00 0.00 H new ATOM 254 N GLY A 21 -3.806 5.548 -31.248 1.00 0.00 N ATOM 255 CA GLY A 21 -2.445 5.835 -31.645 1.00 0.00 C ATOM 256 C GLY A 21 -1.597 4.594 -31.791 1.00 0.00 C ATOM 257 O GLY A 21 -0.497 4.650 -32.344 1.00 0.00 O ATOM 0 H GLY A 21 -4.001 5.688 -30.257 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.455 6.375 -32.592 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.989 6.495 -30.907 1.00 0.00 H new ATOM 261 N CYS A 22 -2.105 3.462 -31.313 1.00 0.00 N ATOM 262 CA CYS A 22 -1.369 2.205 -31.393 1.00 0.00 C ATOM 263 C CYS A 22 -1.187 1.734 -32.832 1.00 0.00 C ATOM 264 O CYS A 22 -0.478 0.757 -33.096 1.00 0.00 O ATOM 265 CB CYS A 22 -2.030 1.124 -30.560 1.00 0.00 C ATOM 266 SG CYS A 22 -1.703 1.269 -28.798 1.00 0.00 S ATOM 0 H CYS A 22 -3.020 3.389 -30.868 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.378 2.398 -30.983 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.107 1.158 -30.725 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.685 0.149 -30.906 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.463 1.612 -28.614 1.00 0.00 H new ATOM 271 N GLY A 23 -1.818 2.433 -33.766 1.00 0.00 N ATOM 272 CA GLY A 23 -1.631 2.122 -35.162 1.00 0.00 C ATOM 273 C GLY A 23 -0.209 2.424 -35.593 1.00 0.00 C ATOM 274 O GLY A 23 0.246 1.970 -36.637 1.00 0.00 O ATOM 0 H GLY A 23 -2.454 3.208 -33.578 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.854 1.070 -35.338 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.330 2.701 -35.765 1.00 0.00 H new ATOM 278 N SER A 24 0.491 3.193 -34.766 1.00 0.00 N ATOM 279 CA SER A 24 1.865 3.558 -35.023 1.00 0.00 C ATOM 280 C SER A 24 2.788 3.021 -33.918 1.00 0.00 C ATOM 281 O SER A 24 3.918 3.487 -33.759 1.00 0.00 O ATOM 282 CB SER A 24 1.980 5.078 -35.112 1.00 0.00 C ATOM 283 OG SER A 24 1.047 5.599 -36.047 1.00 0.00 O ATOM 0 H SER A 24 0.114 3.577 -33.900 1.00 0.00 H new ATOM 0 HA SER A 24 2.175 3.114 -35.969 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.804 5.519 -34.131 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.992 5.354 -35.408 1.00 0.00 H new ATOM 0 HG SER A 24 1.135 6.574 -36.088 1.00 0.00 H new ATOM 289 N GLY A 25 2.301 2.046 -33.154 1.00 0.00 N ATOM 290 CA GLY A 25 3.113 1.468 -32.095 1.00 0.00 C ATOM 291 C GLY A 25 2.299 1.058 -30.883 1.00 0.00 C ATOM 292 O GLY A 25 1.737 1.907 -30.192 1.00 0.00 O ATOM 0 H GLY A 25 1.366 1.648 -33.247 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.641 0.597 -32.483 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.871 2.190 -31.790 1.00 0.00 H new ATOM 296 N CYS A 26 2.225 -0.242 -30.634 1.00 0.00 N ATOM 297 CA CYS A 26 1.498 -0.765 -29.484 1.00 0.00 C ATOM 298 C CYS A 26 2.383 -0.831 -28.254 1.00 0.00 C ATOM 299 O CYS A 26 3.527 -1.290 -28.319 1.00 0.00 O ATOM 300 CB CYS A 26 0.948 -2.158 -29.773 1.00 0.00 C ATOM 301 SG CYS A 26 -0.323 -2.205 -31.034 1.00 0.00 S ATOM 0 H CYS A 26 2.661 -0.957 -31.215 1.00 0.00 H new ATOM 0 HA CYS A 26 0.672 -0.080 -29.292 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.771 -2.804 -30.080 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.543 -2.574 -28.850 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.720 -3.431 -31.205 1.00 0.00 H new ATOM 306 N ASN A 27 1.847 -0.382 -27.139 1.00 0.00 N ATOM 307 CA ASN A 27 2.552 -0.432 -25.864 1.00 0.00 C ATOM 308 C ASN A 27 1.657 -1.123 -24.831 1.00 0.00 C ATOM 309 O ASN A 27 1.859 -1.020 -23.618 1.00 0.00 O ATOM 310 CB ASN A 27 2.925 0.991 -25.409 1.00 0.00 C ATOM 311 CG ASN A 27 3.809 1.016 -24.171 1.00 0.00 C ATOM 312 OD1 ASN A 27 4.613 0.110 -23.940 1.00 0.00 O ATOM 313 ND2 ASN A 27 3.663 2.052 -23.367 1.00 0.00 N ATOM 0 H ASN A 27 0.914 0.027 -27.085 1.00 0.00 H new ATOM 0 HA ASN A 27 3.476 -1.000 -25.971 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.438 1.502 -26.223 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.012 1.551 -25.206 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.226 2.123 -22.520 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.987 2.782 -23.593 1.00 0.00 H new ATOM 320 N CYS A 28 0.667 -1.835 -25.333 1.00 0.00 N ATOM 321 CA CYS A 28 -0.270 -2.543 -24.495 1.00 0.00 C ATOM 322 C CYS A 28 0.112 -4.022 -24.369 1.00 0.00 C ATOM 323 O CYS A 28 1.223 -4.421 -24.735 1.00 0.00 O ATOM 324 CB CYS A 28 -1.688 -2.379 -25.048 1.00 0.00 C ATOM 325 SG CYS A 28 -1.834 -2.620 -26.834 1.00 0.00 S ATOM 0 H CYS A 28 0.493 -1.936 -26.333 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.238 -2.115 -23.493 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.344 -3.089 -24.544 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.047 -1.381 -24.799 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.073 -2.461 -27.194 1.00 0.00 H new ATOM 330 N LYS A 29 -0.796 -4.824 -23.840 1.00 0.00 N ATOM 331 CA LYS A 29 -0.535 -6.241 -23.640 1.00 0.00 C ATOM 332 C LYS A 29 -1.175 -7.070 -24.747 1.00 0.00 C ATOM 333 O LYS A 29 -2.008 -6.575 -25.499 1.00 0.00 O ATOM 334 CB LYS A 29 -1.071 -6.697 -22.278 1.00 0.00 C ATOM 335 CG LYS A 29 -0.561 -5.883 -21.088 1.00 0.00 C ATOM 336 CD LYS A 29 0.959 -5.904 -20.984 1.00 0.00 C ATOM 337 CE LYS A 29 1.490 -7.308 -20.788 1.00 0.00 C ATOM 338 NZ LYS A 29 2.973 -7.337 -20.770 1.00 0.00 N ATOM 0 H LYS A 29 -1.722 -4.519 -23.541 1.00 0.00 H new ATOM 0 HA LYS A 29 0.544 -6.392 -23.668 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.160 -6.647 -22.296 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.802 -7.743 -22.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.903 -4.852 -21.182 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.992 -6.279 -20.168 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.391 -5.475 -21.888 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.275 -5.276 -20.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.107 -7.714 -19.852 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.123 -7.951 -21.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.299 -8.315 -20.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.338 -6.973 -21.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.322 -6.744 -19.990 1.00 0.00 H new ATOM 352 N GLU A 30 -0.802 -8.345 -24.822 1.00 0.00 N ATOM 353 CA GLU A 30 -1.343 -9.253 -25.839 1.00 0.00 C ATOM 354 C GLU A 30 -2.740 -9.748 -25.448 1.00 0.00 C ATOM 355 O GLU A 30 -3.298 -10.651 -26.079 1.00 0.00 O ATOM 356 CB GLU A 30 -0.407 -10.445 -26.042 1.00 0.00 C ATOM 357 CG GLU A 30 -0.223 -11.305 -24.801 1.00 0.00 C ATOM 358 CD GLU A 30 0.616 -12.528 -25.070 1.00 0.00 C ATOM 359 OE1 GLU A 30 0.073 -13.520 -25.592 1.00 0.00 O ATOM 360 OE2 GLU A 30 1.819 -12.503 -24.765 1.00 0.00 O ATOM 0 H GLU A 30 -0.126 -8.777 -24.191 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.423 -8.699 -26.774 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.797 -11.067 -26.848 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.567 -10.078 -26.365 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.246 -10.711 -24.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.200 -11.612 -24.427 1.00 0.00 H new ATOM 367 N ASP A 31 -3.289 -9.154 -24.406 1.00 0.00 N ATOM 368 CA ASP A 31 -4.616 -9.502 -23.919 1.00 0.00 C ATOM 369 C ASP A 31 -5.599 -8.411 -24.331 1.00 0.00 C ATOM 370 O ASP A 31 -6.752 -8.385 -23.909 1.00 0.00 O ATOM 371 CB ASP A 31 -4.583 -9.649 -22.394 1.00 0.00 C ATOM 372 CG ASP A 31 -5.839 -10.270 -21.813 1.00 0.00 C ATOM 373 OD1 ASP A 31 -5.997 -11.507 -21.913 1.00 0.00 O ATOM 374 OD2 ASP A 31 -6.659 -9.535 -21.230 1.00 0.00 O ATOM 0 H ASP A 31 -2.830 -8.416 -23.871 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.935 -10.451 -24.351 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.724 -10.260 -22.115 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.434 -8.666 -21.946 1.00 0.00 H new ATOM 379 N CYS A 32 -5.121 -7.507 -25.162 1.00 0.00 N ATOM 380 CA CYS A 32 -5.927 -6.411 -25.650 1.00 0.00 C ATOM 381 C CYS A 32 -6.928 -6.905 -26.694 1.00 0.00 C ATOM 382 O CYS A 32 -6.654 -7.852 -27.423 1.00 0.00 O ATOM 383 CB CYS A 32 -5.028 -5.335 -26.250 1.00 0.00 C ATOM 384 SG CYS A 32 -5.917 -3.927 -26.928 1.00 0.00 S ATOM 0 H CYS A 32 -4.165 -7.513 -25.516 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.483 -5.986 -24.815 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.341 -4.981 -25.481 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.422 -5.782 -27.038 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.068 -3.069 -27.411 1.00 0.00 H new ATOM 389 N ARG A 33 -8.091 -6.272 -26.747 1.00 0.00 N ATOM 390 CA ARG A 33 -9.137 -6.638 -27.706 1.00 0.00 C ATOM 391 C ARG A 33 -9.560 -5.431 -28.539 1.00 0.00 C ATOM 392 O ARG A 33 -10.682 -5.375 -29.045 1.00 0.00 O ATOM 393 CB ARG A 33 -10.364 -7.201 -26.978 1.00 0.00 C ATOM 394 CG ARG A 33 -10.340 -8.705 -26.732 1.00 0.00 C ATOM 395 CD ARG A 33 -9.287 -9.116 -25.717 1.00 0.00 C ATOM 396 NE ARG A 33 -9.439 -10.518 -25.340 1.00 0.00 N ATOM 397 CZ ARG A 33 -9.203 -11.007 -24.123 1.00 0.00 C ATOM 398 NH1 ARG A 33 -8.722 -10.224 -23.169 1.00 0.00 N ATOM 399 NH2 ARG A 33 -9.442 -12.285 -23.869 1.00 0.00 N ATOM 0 H ARG A 33 -8.340 -5.496 -26.134 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.725 -7.401 -28.367 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.461 -6.694 -26.018 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.254 -6.958 -27.559 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.321 -9.028 -26.383 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.152 -9.220 -27.674 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.293 -8.954 -26.134 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.367 -8.487 -24.830 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.748 -11.171 -26.060 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.530 -9.241 -23.364 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.543 -10.604 -22.239 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.806 -12.892 -24.604 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.262 -12.662 -22.939 1.00 0.00 H new ATOM 413 N CYS A 34 -8.653 -4.494 -28.720 1.00 0.00 N ATOM 414 CA CYS A 34 -8.980 -3.269 -29.425 1.00 0.00 C ATOM 415 C CYS A 34 -8.829 -3.473 -30.906 1.00 0.00 C ATOM 416 O CYS A 34 -7.756 -3.826 -31.378 1.00 0.00 O ATOM 417 CB CYS A 34 -8.093 -2.116 -28.968 1.00 0.00 C ATOM 418 SG CYS A 34 -8.796 -0.487 -29.299 1.00 0.00 S ATOM 0 H CYS A 34 -7.689 -4.554 -28.392 1.00 0.00 H new ATOM 0 HA CYS A 34 -10.015 -3.014 -29.197 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.909 -2.212 -27.898 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.126 -2.193 -29.466 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.979 0.432 -28.877 1.00 0.00 H new ATOM 423 N GLN A 35 -9.903 -3.234 -31.638 1.00 0.00 N ATOM 424 CA GLN A 35 -9.923 -3.440 -33.082 1.00 0.00 C ATOM 425 C GLN A 35 -8.876 -2.577 -33.781 1.00 0.00 C ATOM 426 O GLN A 35 -8.361 -2.943 -34.838 1.00 0.00 O ATOM 427 CB GLN A 35 -11.311 -3.130 -33.643 1.00 0.00 C ATOM 428 CG GLN A 35 -12.438 -3.933 -33.004 1.00 0.00 C ATOM 429 CD GLN A 35 -12.219 -5.431 -33.096 1.00 0.00 C ATOM 430 OE1 GLN A 35 -12.596 -6.065 -34.081 1.00 0.00 O ATOM 431 NE2 GLN A 35 -11.624 -6.012 -32.060 1.00 0.00 N ATOM 0 H GLN A 35 -10.784 -2.893 -31.254 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.683 -4.486 -33.272 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.516 -2.068 -33.509 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.308 -3.321 -34.716 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.532 -3.648 -31.956 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.380 -3.678 -33.489 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.326 -5.451 -31.262 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.465 -7.020 -32.062 1.00 0.00 H new ATOM 440 N SER A 36 -8.552 -1.450 -33.168 1.00 0.00 N ATOM 441 CA SER A 36 -7.604 -0.505 -33.729 1.00 0.00 C ATOM 442 C SER A 36 -6.202 -1.104 -33.881 1.00 0.00 C ATOM 443 O SER A 36 -5.481 -0.778 -34.821 1.00 0.00 O ATOM 444 CB SER A 36 -7.555 0.734 -32.863 1.00 0.00 C ATOM 445 OG SER A 36 -8.856 1.265 -32.679 1.00 0.00 O ATOM 0 H SER A 36 -8.939 -1.166 -32.268 1.00 0.00 H new ATOM 0 HA SER A 36 -7.947 -0.245 -34.731 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.115 0.491 -31.896 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.913 1.483 -33.326 1.00 0.00 H new ATOM 0 HG SER A 36 -8.907 1.712 -31.808 1.00 0.00 H new ATOM 451 N CYS A 37 -5.822 -1.968 -32.960 1.00 0.00 N ATOM 452 CA CYS A 37 -4.519 -2.606 -33.006 1.00 0.00 C ATOM 453 C CYS A 37 -4.659 -4.129 -32.968 1.00 0.00 C ATOM 454 O CYS A 37 -3.760 -4.845 -32.537 1.00 0.00 O ATOM 455 CB CYS A 37 -3.638 -2.086 -31.863 1.00 0.00 C ATOM 456 SG CYS A 37 -4.553 -1.553 -30.390 1.00 0.00 S ATOM 0 H CYS A 37 -6.400 -2.246 -32.167 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.032 -2.351 -33.947 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.937 -2.870 -31.576 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.046 -1.248 -32.230 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.716 -1.135 -29.487 1.00 0.00 H new ATOM 461 N LYS A 38 -5.787 -4.610 -33.465 1.00 0.00 N ATOM 462 CA LYS A 38 -6.090 -6.040 -33.498 1.00 0.00 C ATOM 463 C LYS A 38 -5.924 -6.574 -34.930 1.00 0.00 C ATOM 464 O LYS A 38 -6.435 -7.631 -35.295 1.00 0.00 O ATOM 465 CB LYS A 38 -7.520 -6.247 -32.980 1.00 0.00 C ATOM 466 CG LYS A 38 -7.987 -7.687 -32.821 1.00 0.00 C ATOM 467 CD LYS A 38 -7.031 -8.547 -32.000 1.00 0.00 C ATOM 468 CE LYS A 38 -6.928 -8.069 -30.571 1.00 0.00 C ATOM 469 NZ LYS A 38 -6.120 -8.997 -29.747 1.00 0.00 N ATOM 0 H LYS A 38 -6.522 -4.023 -33.859 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.402 -6.594 -32.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.607 -5.752 -32.013 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.205 -5.740 -33.660 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.968 -7.693 -32.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.108 -8.133 -33.808 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.372 -9.582 -32.013 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.043 -8.531 -32.460 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.479 -7.076 -30.550 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.927 -7.976 -30.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.194 -8.726 -28.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.473 -9.968 -29.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.125 -8.950 -30.046 1.00 0.00 H new ATOM 528 N CYS A 43 -4.396 -4.916 -42.424 1.00 0.00 N ATOM 529 CA CYS A 43 -5.591 -5.174 -43.187 1.00 0.00 C ATOM 530 C CYS A 43 -6.805 -4.591 -42.513 1.00 0.00 C ATOM 531 O CYS A 43 -6.850 -4.455 -41.285 1.00 0.00 O ATOM 532 CB CYS A 43 -5.776 -6.671 -43.372 1.00 0.00 C ATOM 533 SG CYS A 43 -4.396 -7.477 -44.206 1.00 0.00 S ATOM 0 HA CYS A 43 -5.479 -4.697 -44.161 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.918 -7.134 -42.395 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -6.687 -6.847 -43.944 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.640 -8.749 -44.318 1.00 0.00 H new ATOM 538 N THR A 44 -7.782 -4.243 -43.313 1.00 0.00 N ATOM 539 CA THR A 44 -9.023 -3.725 -42.817 1.00 0.00 C ATOM 540 C THR A 44 -9.891 -4.876 -42.334 1.00 0.00 C ATOM 541 O THR A 44 -9.606 -6.044 -42.628 1.00 0.00 O ATOM 542 CB THR A 44 -9.761 -2.961 -43.930 1.00 0.00 C ATOM 543 OG1 THR A 44 -9.724 -3.733 -45.140 1.00 0.00 O ATOM 544 CG2 THR A 44 -9.120 -1.603 -44.172 1.00 0.00 C ATOM 0 H THR A 44 -7.734 -4.313 -44.329 1.00 0.00 H new ATOM 0 HA THR A 44 -8.820 -3.042 -41.992 1.00 0.00 H new ATOM 0 HB THR A 44 -10.794 -2.803 -43.620 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.195 -3.250 -45.851 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.659 -1.082 -44.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.160 -1.013 -43.256 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.081 -1.739 -44.470 1.00 0.00 H new ATOM 552 N ASP A 45 -10.943 -4.567 -41.607 1.00 0.00 N ATOM 553 CA ASP A 45 -11.852 -5.598 -41.137 1.00 0.00 C ATOM 554 C ASP A 45 -12.644 -6.127 -42.327 1.00 0.00 C ATOM 555 O ASP A 45 -13.188 -7.231 -42.301 1.00 0.00 O ATOM 556 CB ASP A 45 -12.785 -5.039 -40.068 1.00 0.00 C ATOM 557 CG ASP A 45 -13.415 -6.120 -39.217 1.00 0.00 C ATOM 558 OD1 ASP A 45 -12.766 -6.576 -38.249 1.00 0.00 O ATOM 559 OD2 ASP A 45 -14.566 -6.505 -39.487 1.00 0.00 O ATOM 0 H ASP A 45 -11.192 -3.618 -41.328 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.287 -6.413 -40.686 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -12.228 -4.356 -39.426 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.571 -4.456 -40.547 1.00 0.00 H new ATOM 564 N VAL A 46 -12.665 -5.316 -43.384 1.00 0.00 N ATOM 565 CA VAL A 46 -13.305 -5.660 -44.645 1.00 0.00 C ATOM 566 C VAL A 46 -12.590 -6.850 -45.297 1.00 0.00 C ATOM 567 O VAL A 46 -13.210 -7.674 -45.975 1.00 0.00 O ATOM 568 CB VAL A 46 -13.280 -4.448 -45.613 1.00 0.00 C ATOM 569 CG1 VAL A 46 -13.981 -4.770 -46.917 1.00 0.00 C ATOM 570 CG2 VAL A 46 -13.911 -3.232 -44.961 1.00 0.00 C ATOM 0 H VAL A 46 -12.232 -4.392 -43.385 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.341 -5.932 -44.440 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.237 -4.224 -45.838 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.946 -3.900 -47.573 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.482 -5.610 -47.401 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.020 -5.032 -46.717 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.884 -2.392 -45.655 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.946 -3.455 -44.700 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.357 -2.975 -44.058 1.00 0.00 H new ATOM 580 N CYS A 47 -11.289 -6.941 -45.066 1.00 0.00 N ATOM 581 CA CYS A 47 -10.487 -8.031 -45.601 1.00 0.00 C ATOM 582 C CYS A 47 -10.729 -9.308 -44.795 1.00 0.00 C ATOM 583 O CYS A 47 -10.517 -10.420 -45.280 1.00 0.00 O ATOM 584 CB CYS A 47 -8.998 -7.655 -45.566 1.00 0.00 C ATOM 585 SG CYS A 47 -7.876 -8.931 -46.200 1.00 0.00 S ATOM 0 H CYS A 47 -10.763 -6.268 -44.508 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.780 -8.210 -46.635 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.854 -6.744 -46.146 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.720 -7.425 -44.537 1.00 0.00 H new ATOM 0 HG CYS A 47 -8.446 -10.096 -46.107 1.00 0.00 H new ATOM 590 N LYS A 48 -11.198 -9.140 -43.565 1.00 0.00 N ATOM 591 CA LYS A 48 -11.456 -10.269 -42.685 1.00 0.00 C ATOM 592 C LYS A 48 -12.870 -10.806 -42.893 1.00 0.00 C ATOM 593 O LYS A 48 -13.283 -11.775 -42.250 1.00 0.00 O ATOM 594 CB LYS A 48 -11.252 -9.862 -41.228 1.00 0.00 C ATOM 595 CG LYS A 48 -9.902 -9.217 -40.956 1.00 0.00 C ATOM 596 CD LYS A 48 -9.697 -8.992 -39.471 1.00 0.00 C ATOM 597 CE LYS A 48 -8.352 -8.343 -39.162 1.00 0.00 C ATOM 598 NZ LYS A 48 -8.113 -8.273 -37.694 1.00 0.00 N ATOM 0 H LYS A 48 -11.407 -8.230 -43.155 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.750 -11.062 -42.930 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.041 -9.167 -40.940 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.357 -10.744 -40.596 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.106 -9.853 -41.344 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.836 -8.266 -41.484 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.499 -8.361 -39.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.766 -9.946 -38.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.553 -8.912 -39.637 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.323 -7.339 -39.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.157 -7.905 -37.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.814 -7.641 -37.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.201 -9.224 -37.282 1.00 0.00 H new ATOM 612 N GLN A 49 -13.603 -10.165 -43.794 1.00 0.00 N ATOM 613 CA GLN A 49 -14.962 -10.576 -44.131 1.00 0.00 C ATOM 614 C GLN A 49 -14.979 -11.959 -44.769 1.00 0.00 C ATOM 615 O GLN A 49 -13.947 -12.470 -45.216 1.00 0.00 O ATOM 616 CB GLN A 49 -15.598 -9.582 -45.102 1.00 0.00 C ATOM 617 CG GLN A 49 -16.009 -8.264 -44.487 1.00 0.00 C ATOM 618 CD GLN A 49 -16.620 -7.318 -45.516 1.00 0.00 C ATOM 619 OE1 GLN A 49 -16.554 -6.032 -45.246 1.00 0.00 O flip ATOM 620 NE2 GLN A 49 -17.177 -7.750 -46.522 1.00 0.00 N flip ATOM 0 H GLN A 49 -13.275 -9.349 -44.311 1.00 0.00 H new ATOM 0 HA GLN A 49 -15.531 -10.603 -43.202 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.894 -9.385 -45.910 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.476 -10.046 -45.551 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.729 -8.445 -43.689 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.140 -7.790 -44.031 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.207 -8.754 -46.697 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.609 -7.104 -47.183 1.00 0.00 H new ATOM 629 N THR A 50 -16.145 -12.560 -44.803 1.00 0.00 N ATOM 630 CA THR A 50 -16.332 -13.838 -45.446 1.00 0.00 C ATOM 631 C THR A 50 -17.731 -13.918 -46.060 1.00 0.00 C ATOM 632 O THR A 50 -18.726 -14.063 -45.343 1.00 0.00 O ATOM 633 CB THR A 50 -16.125 -15.010 -44.474 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.797 -14.948 -43.926 1.00 0.00 O ATOM 635 CG2 THR A 50 -16.312 -16.330 -45.202 1.00 0.00 C ATOM 0 H THR A 50 -16.992 -12.175 -44.385 1.00 0.00 H new ATOM 0 HA THR A 50 -15.579 -13.920 -46.230 1.00 0.00 H new ATOM 0 HB THR A 50 -16.858 -14.940 -43.670 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.664 -15.694 -43.305 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.163 -17.154 -44.505 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.321 -16.379 -45.612 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.587 -16.405 -46.012 1.00 0.00 H new ATOM 643 N PRO A 51 -17.832 -13.804 -47.398 1.00 0.00 N ATOM 644 CA PRO A 51 -16.670 -13.624 -48.280 1.00 0.00 C ATOM 645 C PRO A 51 -16.039 -12.247 -48.116 1.00 0.00 C ATOM 646 O PRO A 51 -16.701 -11.304 -47.682 1.00 0.00 O ATOM 647 CB PRO A 51 -17.248 -13.771 -49.698 1.00 0.00 C ATOM 648 CG PRO A 51 -18.656 -14.252 -49.518 1.00 0.00 C ATOM 649 CD PRO A 51 -19.085 -13.820 -48.147 1.00 0.00 C ATOM 0 HA PRO A 51 -15.882 -14.343 -48.056 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -17.225 -12.820 -50.230 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.665 -14.480 -50.286 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.310 -13.829 -50.280 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.711 -15.336 -49.617 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.558 -12.838 -48.163 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.805 -14.513 -47.713 1.00 0.00 H new ATOM 657 N CYS A 52 -14.758 -12.144 -48.441 1.00 0.00 N ATOM 658 CA CYS A 52 -14.034 -10.886 -48.324 1.00 0.00 C ATOM 659 C CYS A 52 -14.711 -9.792 -49.137 1.00 0.00 C ATOM 660 O CYS A 52 -15.297 -10.061 -50.194 1.00 0.00 O ATOM 661 CB CYS A 52 -12.597 -11.057 -48.787 1.00 0.00 C ATOM 662 SG CYS A 52 -11.604 -9.557 -48.659 1.00 0.00 S ATOM 0 H CYS A 52 -14.196 -12.921 -48.790 1.00 0.00 H new ATOM 0 HA CYS A 52 -14.038 -10.592 -47.274 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.127 -11.844 -48.197 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.597 -11.393 -49.824 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.396 -9.800 -49.073 1.00 0.00 H new ATOM 667 N GLY A 53 -14.623 -8.565 -48.661 1.00 0.00 N ATOM 668 CA GLY A 53 -15.270 -7.481 -49.344 1.00 0.00 C ATOM 669 C GLY A 53 -14.313 -6.408 -49.815 1.00 0.00 C ATOM 670 O GLY A 53 -14.739 -5.303 -50.130 1.00 0.00 O ATOM 0 H GLY A 53 -14.116 -8.304 -47.816 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.813 -7.875 -50.203 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.008 -7.032 -48.679 1.00 0.00 H new ATOM 674 N CYS A 54 -13.022 -6.714 -49.870 1.00 0.00 N ATOM 675 CA CYS A 54 -12.041 -5.730 -50.332 1.00 0.00 C ATOM 676 C CYS A 54 -12.289 -5.345 -51.776 1.00 0.00 C ATOM 677 O CYS A 54 -12.316 -4.176 -52.116 1.00 0.00 O ATOM 678 CB CYS A 54 -10.617 -6.237 -50.160 1.00 0.00 C ATOM 679 SG CYS A 54 -9.893 -5.861 -48.558 1.00 0.00 S ATOM 0 H CYS A 54 -12.631 -7.619 -49.606 1.00 0.00 H new ATOM 0 HA CYS A 54 -12.162 -4.842 -49.712 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.607 -7.317 -50.307 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.992 -5.803 -50.940 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.683 -6.334 -48.507 1.00 0.00 H new ATOM 684 N ALA A 55 -12.515 -6.327 -52.615 1.00 0.00 N ATOM 685 CA ALA A 55 -12.764 -6.069 -54.019 1.00 0.00 C ATOM 686 C ALA A 55 -14.228 -5.701 -54.245 1.00 0.00 C ATOM 687 O ALA A 55 -14.690 -5.596 -55.380 1.00 0.00 O ATOM 688 CB ALA A 55 -12.378 -7.278 -54.847 1.00 0.00 C ATOM 0 H ALA A 55 -12.532 -7.313 -52.354 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.152 -5.224 -54.335 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.569 -7.074 -55.900 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.319 -7.493 -54.705 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.968 -8.138 -54.532 1.00 0.00 H new ATOM 694 N THR A 56 -14.943 -5.514 -53.153 1.00 0.00 N ATOM 695 CA THR A 56 -16.341 -5.149 -53.197 1.00 0.00 C ATOM 696 C THR A 56 -16.555 -3.723 -52.661 1.00 0.00 C ATOM 697 O THR A 56 -17.303 -2.939 -53.239 1.00 0.00 O ATOM 698 CB THR A 56 -17.178 -6.140 -52.364 1.00 0.00 C ATOM 699 OG1 THR A 56 -16.831 -7.484 -52.730 1.00 0.00 O ATOM 700 CG2 THR A 56 -18.667 -5.922 -52.589 1.00 0.00 C ATOM 0 H THR A 56 -14.568 -5.612 -52.209 1.00 0.00 H new ATOM 0 HA THR A 56 -16.664 -5.185 -54.238 1.00 0.00 H new ATOM 0 HB THR A 56 -16.961 -5.972 -51.309 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.361 -8.115 -52.200 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.234 -6.634 -51.989 1.00 0.00 H new ATOM 0 HG22 THR A 56 -18.935 -4.907 -52.296 1.00 0.00 H new ATOM 0 HG23 THR A 56 -18.901 -6.068 -53.643 1.00 0.00 H new ATOM 708 N SER A 57 -15.883 -3.395 -51.562 1.00 0.00 N ATOM 709 CA SER A 57 -16.029 -2.090 -50.937 1.00 0.00 C ATOM 710 C SER A 57 -14.754 -1.249 -51.082 1.00 0.00 C ATOM 711 O SER A 57 -14.824 -0.055 -51.367 1.00 0.00 O ATOM 712 CB SER A 57 -16.388 -2.255 -49.449 1.00 0.00 C ATOM 713 OG SER A 57 -16.686 -1.005 -48.843 1.00 0.00 O ATOM 0 H SER A 57 -15.231 -4.019 -51.087 1.00 0.00 H new ATOM 0 HA SER A 57 -16.835 -1.563 -51.448 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.246 -2.921 -49.352 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.558 -2.726 -48.923 1.00 0.00 H new ATOM 0 HG SER A 57 -16.911 -1.144 -47.899 1.00 0.00 H new ATOM 719 N GLY A 58 -13.597 -1.872 -50.899 1.00 0.00 N ATOM 720 CA GLY A 58 -12.346 -1.139 -50.973 1.00 0.00 C ATOM 721 C GLY A 58 -11.168 -1.967 -50.504 1.00 0.00 C ATOM 722 O GLY A 58 -11.125 -2.405 -49.352 1.00 0.00 O ATOM 0 H GLY A 58 -13.501 -2.868 -50.701 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.176 -0.818 -52.001 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.419 -0.237 -50.365 1.00 0.00 H new ATOM 726 N CYS A 59 -10.224 -2.191 -51.398 1.00 0.00 N ATOM 727 CA CYS A 59 -9.050 -2.987 -51.102 1.00 0.00 C ATOM 728 C CYS A 59 -7.938 -2.099 -50.536 1.00 0.00 C ATOM 729 O CYS A 59 -7.453 -1.185 -51.209 1.00 0.00 O ATOM 730 CB CYS A 59 -8.582 -3.699 -52.374 1.00 0.00 C ATOM 731 SG CYS A 59 -7.415 -5.046 -52.101 1.00 0.00 S ATOM 0 H CYS A 59 -10.250 -1.826 -52.350 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.300 -3.736 -50.351 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.455 -4.093 -52.895 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.120 -2.966 -53.035 1.00 0.00 H new ATOM 0 HG CYS A 59 -7.090 -5.576 -53.242 1.00 0.00 H new ATOM 736 N ASN A 60 -7.541 -2.371 -49.301 1.00 0.00 N ATOM 737 CA ASN A 60 -6.529 -1.560 -48.619 1.00 0.00 C ATOM 738 C ASN A 60 -5.121 -2.113 -48.822 1.00 0.00 C ATOM 739 O ASN A 60 -4.172 -1.360 -49.043 1.00 0.00 O ATOM 740 CB ASN A 60 -6.843 -1.477 -47.118 1.00 0.00 C ATOM 741 CG ASN A 60 -5.817 -0.668 -46.335 1.00 0.00 C ATOM 742 OD1 ASN A 60 -5.920 0.551 -46.234 1.00 0.00 O ATOM 743 ND2 ASN A 60 -4.836 -1.342 -45.753 1.00 0.00 N ATOM 0 H ASN A 60 -7.902 -3.147 -48.746 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.561 -0.563 -49.058 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.828 -1.030 -46.983 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.892 -2.485 -46.707 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.136 -0.848 -45.200 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.781 -2.355 -45.858 1.00 0.00 H new ATOM 750 N CYS A 61 -4.996 -3.418 -48.749 1.00 0.00 N ATOM 751 CA CYS A 61 -3.705 -4.080 -48.858 1.00 0.00 C ATOM 752 C CYS A 61 -3.269 -4.247 -50.319 1.00 0.00 C ATOM 753 O CYS A 61 -3.868 -3.665 -51.230 1.00 0.00 O ATOM 754 CB CYS A 61 -3.789 -5.424 -48.162 1.00 0.00 C ATOM 755 SG CYS A 61 -5.354 -6.259 -48.440 1.00 0.00 S ATOM 0 H CYS A 61 -5.781 -4.055 -48.613 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.949 -3.459 -48.377 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.976 -6.060 -48.513 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.644 -5.282 -47.091 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.353 -7.400 -47.818 1.00 0.00 H new ATOM 760 N THR A 62 -2.217 -5.030 -50.535 1.00 0.00 N ATOM 761 CA THR A 62 -1.689 -5.251 -51.873 1.00 0.00 C ATOM 762 C THR A 62 -1.844 -6.709 -52.289 1.00 0.00 C ATOM 763 O THR A 62 -2.402 -7.522 -51.548 1.00 0.00 O ATOM 764 CB THR A 62 -0.193 -4.860 -51.961 1.00 0.00 C ATOM 765 OG1 THR A 62 0.575 -5.613 -51.012 1.00 0.00 O ATOM 766 CG2 THR A 62 0.001 -3.375 -51.704 1.00 0.00 C ATOM 0 H THR A 62 -1.713 -5.522 -49.797 1.00 0.00 H new ATOM 0 HA THR A 62 -2.264 -4.618 -52.549 1.00 0.00 H new ATOM 0 HB THR A 62 0.151 -5.087 -52.970 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.253 -5.033 -50.606 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.061 -3.129 -51.772 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.553 -2.802 -52.447 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.365 -3.127 -50.708 1.00 0.00 H new ATOM 774 N ASP A 63 -1.314 -7.037 -53.467 1.00 0.00 N ATOM 775 CA ASP A 63 -1.369 -8.402 -54.005 1.00 0.00 C ATOM 776 C ASP A 63 -0.416 -9.332 -53.231 1.00 0.00 C ATOM 777 O ASP A 63 -0.292 -10.516 -53.528 1.00 0.00 O ATOM 778 CB ASP A 63 -1.029 -8.383 -55.504 1.00 0.00 C ATOM 779 CG ASP A 63 -1.233 -9.722 -56.188 1.00 0.00 C ATOM 780 OD1 ASP A 63 -0.236 -10.334 -56.617 1.00 0.00 O ATOM 781 OD2 ASP A 63 -2.400 -10.158 -56.325 1.00 0.00 O ATOM 0 H ASP A 63 -0.837 -6.371 -54.074 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.380 -8.792 -53.883 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.646 -7.633 -55.999 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.009 -8.074 -55.629 1.00 0.00 H new ATOM 786 N ASP A 64 0.246 -8.767 -52.230 1.00 0.00 N ATOM 787 CA ASP A 64 1.145 -9.516 -51.356 1.00 0.00 C ATOM 788 C ASP A 64 0.343 -10.362 -50.377 1.00 0.00 C ATOM 789 O ASP A 64 0.852 -11.326 -49.811 1.00 0.00 O ATOM 790 CB ASP A 64 2.025 -8.553 -50.562 1.00 0.00 C ATOM 791 CG ASP A 64 3.475 -8.578 -50.980 1.00 0.00 C ATOM 792 OD1 ASP A 64 3.914 -9.574 -51.592 1.00 0.00 O ATOM 793 OD2 ASP A 64 4.191 -7.600 -50.684 1.00 0.00 O ATOM 0 H ASP A 64 0.176 -7.776 -51.999 1.00 0.00 H new ATOM 0 HA ASP A 64 1.767 -10.162 -51.976 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.639 -7.540 -50.679 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.956 -8.800 -49.503 1.00 0.00 H new ATOM 798 N CYS A 65 -0.913 -9.981 -50.178 1.00 0.00 N ATOM 799 CA CYS A 65 -1.791 -10.673 -49.247 1.00 0.00 C ATOM 800 C CYS A 65 -2.102 -12.081 -49.767 1.00 0.00 C ATOM 801 O CYS A 65 -2.425 -12.255 -50.940 1.00 0.00 O ATOM 802 CB CYS A 65 -3.093 -9.868 -49.058 1.00 0.00 C ATOM 803 SG CYS A 65 -3.987 -10.210 -47.512 1.00 0.00 S ATOM 0 H CYS A 65 -1.347 -9.190 -50.654 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.292 -10.762 -48.282 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.854 -8.805 -49.095 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.756 -10.075 -49.898 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.060 -9.478 -47.460 1.00 0.00 H new ATOM 808 N LYS A 66 -2.004 -13.083 -48.888 1.00 0.00 N ATOM 809 CA LYS A 66 -2.261 -14.481 -49.277 1.00 0.00 C ATOM 810 C LYS A 66 -3.755 -14.733 -49.483 1.00 0.00 C ATOM 811 O LYS A 66 -4.179 -15.857 -49.761 1.00 0.00 O ATOM 812 CB LYS A 66 -1.709 -15.454 -48.226 1.00 0.00 C ATOM 813 CG LYS A 66 -2.403 -15.372 -46.878 1.00 0.00 C ATOM 814 CD LYS A 66 -3.109 -16.681 -46.523 1.00 0.00 C ATOM 815 CE LYS A 66 -3.872 -16.553 -45.219 1.00 0.00 C ATOM 816 NZ LYS A 66 -4.566 -17.809 -44.860 1.00 0.00 N ATOM 0 H LYS A 66 -1.751 -12.958 -47.908 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.747 -14.655 -50.222 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.798 -16.471 -48.607 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.646 -15.257 -48.088 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.671 -15.133 -46.106 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.129 -14.559 -46.892 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.795 -16.957 -47.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.375 -17.483 -46.442 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.183 -16.278 -44.421 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.601 -15.747 -45.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.076 -17.680 -43.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.242 -18.058 -45.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.868 -18.573 -44.755 1.00 0.00 H new ATOM 830 N CYS A 67 -4.540 -13.688 -49.340 1.00 0.00 N ATOM 831 CA CYS A 67 -5.964 -13.780 -49.500 1.00 0.00 C ATOM 832 C CYS A 67 -6.316 -13.815 -50.989 1.00 0.00 C ATOM 833 O CYS A 67 -6.220 -12.803 -51.682 1.00 0.00 O ATOM 834 CB CYS A 67 -6.637 -12.590 -48.810 1.00 0.00 C ATOM 835 SG CYS A 67 -8.400 -12.802 -48.505 1.00 0.00 S ATOM 0 H CYS A 67 -4.204 -12.753 -49.110 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.326 -14.699 -49.039 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.136 -12.407 -47.859 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.492 -11.701 -49.423 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.869 -11.742 -47.917 1.00 0.00 H new ATOM 840 N GLN A 68 -6.726 -14.985 -51.476 1.00 0.00 N ATOM 841 CA GLN A 68 -7.056 -15.165 -52.897 1.00 0.00 C ATOM 842 C GLN A 68 -8.419 -14.558 -53.241 1.00 0.00 C ATOM 843 O GLN A 68 -8.930 -14.738 -54.344 1.00 0.00 O ATOM 844 CB GLN A 68 -7.018 -16.659 -53.291 1.00 0.00 C ATOM 845 CG GLN A 68 -7.924 -17.558 -52.453 1.00 0.00 C ATOM 846 CD GLN A 68 -7.988 -18.989 -52.973 1.00 0.00 C ATOM 847 OE1 GLN A 68 -8.851 -19.327 -53.787 1.00 0.00 O ATOM 848 NE2 GLN A 68 -7.080 -19.825 -52.512 1.00 0.00 N ATOM 0 H GLN A 68 -6.839 -15.826 -50.910 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.298 -14.635 -53.473 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.303 -16.753 -54.339 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.992 -17.018 -53.206 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.566 -17.567 -51.424 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.930 -17.138 -52.437 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.384 -19.502 -51.839 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.073 -20.795 -52.828 1.00 0.00 H new ATOM 857 N SER A 69 -8.992 -13.833 -52.299 1.00 0.00 N ATOM 858 CA SER A 69 -10.285 -13.221 -52.500 1.00 0.00 C ATOM 859 C SER A 69 -10.163 -11.794 -53.052 1.00 0.00 C ATOM 860 O SER A 69 -11.005 -11.357 -53.837 1.00 0.00 O ATOM 861 CB SER A 69 -11.070 -13.223 -51.194 1.00 0.00 C ATOM 862 OG SER A 69 -11.216 -14.545 -50.693 1.00 0.00 O ATOM 0 H SER A 69 -8.578 -13.655 -51.384 1.00 0.00 H new ATOM 0 HA SER A 69 -10.822 -13.810 -53.243 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.558 -12.605 -50.456 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.053 -12.780 -51.355 1.00 0.00 H new ATOM 0 HG SER A 69 -11.721 -14.523 -49.854 1.00 0.00 H new ATOM 868 N CYS A 70 -9.120 -11.070 -52.649 1.00 0.00 N ATOM 869 CA CYS A 70 -8.951 -9.694 -53.107 1.00 0.00 C ATOM 870 C CYS A 70 -7.660 -9.499 -53.907 1.00 0.00 C ATOM 871 O CYS A 70 -7.393 -8.403 -54.412 1.00 0.00 O ATOM 872 CB CYS A 70 -9.010 -8.720 -51.928 1.00 0.00 C ATOM 873 SG CYS A 70 -7.811 -9.047 -50.616 1.00 0.00 S ATOM 0 H CYS A 70 -8.392 -11.406 -52.018 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.779 -9.479 -53.782 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.852 -7.708 -52.302 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.012 -8.749 -51.501 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.948 -8.163 -49.673 1.00 0.00 H new ATOM 878 N SER A 71 -6.867 -10.548 -54.031 1.00 0.00 N ATOM 879 CA SER A 71 -5.639 -10.471 -54.799 1.00 0.00 C ATOM 880 C SER A 71 -5.939 -10.576 -56.294 1.00 0.00 C ATOM 881 O SER A 71 -7.070 -10.892 -56.689 1.00 0.00 O ATOM 882 CB SER A 71 -4.669 -11.569 -54.358 1.00 0.00 C ATOM 883 OG SER A 71 -5.326 -12.820 -54.274 1.00 0.00 O ATOM 0 H SER A 71 -7.051 -11.459 -53.611 1.00 0.00 H new ATOM 0 HA SER A 71 -5.169 -9.505 -54.614 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.842 -11.635 -55.065 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.240 -11.313 -53.389 1.00 0.00 H new ATOM 0 HG SER A 71 -5.640 -12.964 -53.357 1.00 0.00 H new ATOM 889 N THR A 72 -4.948 -10.307 -57.118 1.00 0.00 N ATOM 890 CA THR A 72 -5.129 -10.373 -58.546 1.00 0.00 C ATOM 891 C THR A 72 -5.044 -11.811 -59.029 1.00 0.00 C ATOM 892 O THR A 72 -4.266 -12.611 -58.495 1.00 0.00 O ATOM 893 CB THR A 72 -4.104 -9.494 -59.297 1.00 0.00 C ATOM 894 OG1 THR A 72 -2.770 -9.791 -58.867 1.00 0.00 O ATOM 895 CG2 THR A 72 -4.387 -8.024 -59.066 1.00 0.00 C ATOM 0 H THR A 72 -4.010 -10.041 -56.820 1.00 0.00 H new ATOM 0 HA THR A 72 -6.123 -9.983 -58.766 1.00 0.00 H new ATOM 0 HB THR A 72 -4.196 -9.714 -60.361 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.801 -10.269 -58.012 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.653 -7.423 -59.604 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.387 -7.785 -59.427 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.324 -7.805 -58.000 1.00 0.00 H new ATOM 903 N ALA A 73 -5.856 -12.142 -60.017 1.00 0.00 N ATOM 904 CA ALA A 73 -5.896 -13.488 -60.554 1.00 0.00 C ATOM 905 C ALA A 73 -4.648 -13.795 -61.363 1.00 0.00 C ATOM 906 O ALA A 73 -4.079 -12.910 -62.011 1.00 0.00 O ATOM 907 CB ALA A 73 -7.136 -13.679 -61.406 1.00 0.00 C ATOM 0 H ALA A 73 -6.500 -11.491 -60.466 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.933 -14.183 -59.715 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.152 -14.694 -61.802 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.025 -13.513 -60.797 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.123 -12.967 -62.232 1.00 0.00 H new ATOM 913 N CYS A 74 -4.220 -15.041 -61.315 1.00 0.00 N ATOM 914 CA CYS A 74 -3.063 -15.473 -62.066 1.00 0.00 C ATOM 915 C CYS A 74 -3.476 -15.831 -63.500 1.00 0.00 C ATOM 916 O CYS A 74 -4.670 -15.934 -63.801 1.00 0.00 O ATOM 917 CB CYS A 74 -2.394 -16.663 -61.375 1.00 0.00 C ATOM 918 SG CYS A 74 -0.594 -16.535 -61.275 1.00 0.00 S ATOM 0 H CYS A 74 -4.661 -15.774 -60.760 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.340 -14.659 -62.108 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.798 -16.760 -60.367 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.654 -17.575 -61.912 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.108 -17.632 -60.775 1.00 0.00 H new ATOM 923 N LYS A 75 -2.498 -16.029 -64.372 1.00 0.00 N ATOM 924 CA LYS A 75 -2.772 -16.304 -65.789 1.00 0.00 C ATOM 925 C LYS A 75 -2.697 -17.790 -66.102 1.00 0.00 C ATOM 926 O LYS A 75 -2.812 -18.191 -67.262 1.00 0.00 O ATOM 927 CB LYS A 75 -1.790 -15.539 -66.688 1.00 0.00 C ATOM 928 CG LYS A 75 -1.920 -14.026 -66.607 1.00 0.00 C ATOM 929 CD LYS A 75 -3.252 -13.553 -67.159 1.00 0.00 C ATOM 930 CE LYS A 75 -3.463 -12.064 -66.926 1.00 0.00 C ATOM 931 NZ LYS A 75 -2.625 -11.231 -67.822 1.00 0.00 N ATOM 0 H LYS A 75 -1.507 -16.006 -64.131 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.788 -15.965 -65.990 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.772 -15.820 -66.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.942 -15.851 -67.721 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.820 -13.706 -65.570 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.108 -13.559 -67.164 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.298 -13.764 -68.227 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.060 -14.113 -66.688 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.513 -11.819 -67.083 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.231 -11.824 -65.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.802 -10.225 -67.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.621 -11.444 -67.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.863 -11.439 -68.813 1.00 0.00 H new ATOM 945 N CYS A 76 -2.504 -18.597 -65.083 1.00 0.00 N ATOM 946 CA CYS A 76 -2.408 -20.030 -65.267 1.00 0.00 C ATOM 947 C CYS A 76 -3.773 -20.661 -65.477 1.00 0.00 C ATOM 948 O CYS A 76 -4.807 -20.090 -65.104 1.00 0.00 O ATOM 949 CB CYS A 76 -1.711 -20.671 -64.085 1.00 0.00 C ATOM 950 SG CYS A 76 -0.038 -20.079 -63.828 1.00 0.00 S ATOM 0 H CYS A 76 -2.410 -18.286 -64.116 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.818 -20.206 -66.166 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.296 -20.484 -63.184 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.687 -21.751 -64.231 1.00 0.00 H new ATOM 0 HG CYS A 76 0.481 -20.678 -62.797 1.00 0.00 H new ATOM 955 N ALA A 77 -3.769 -21.838 -66.062 1.00 0.00 N ATOM 956 CA ALA A 77 -4.985 -22.561 -66.343 1.00 0.00 C ATOM 957 C ALA A 77 -4.920 -23.946 -65.746 1.00 0.00 C ATOM 958 O ALA A 77 -3.895 -24.330 -65.171 1.00 0.00 O ATOM 959 CB ALA A 77 -5.207 -22.653 -67.836 1.00 0.00 C ATOM 0 H ALA A 77 -2.920 -22.320 -66.356 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.820 -22.022 -65.895 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.128 -23.201 -68.034 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.285 -21.650 -68.255 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.368 -23.175 -68.297 1.00 0.00 H new ATOM 965 N ALA A 78 -6.002 -24.694 -65.889 1.00 0.00 N ATOM 966 CA ALA A 78 -6.083 -26.047 -65.371 1.00 0.00 C ATOM 967 C ALA A 78 -5.022 -26.949 -65.998 1.00 0.00 C ATOM 968 O ALA A 78 -5.213 -27.498 -67.087 1.00 0.00 O ATOM 969 CB ALA A 78 -7.475 -26.617 -65.600 1.00 0.00 C ATOM 0 H ALA A 78 -6.847 -24.380 -66.367 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.891 -26.009 -64.299 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.522 -27.632 -65.207 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.211 -25.996 -65.089 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.691 -26.632 -66.668 1.00 0.00 H new ATOM 975 N GLY A 79 -3.890 -27.049 -65.327 1.00 0.00 N ATOM 976 CA GLY A 79 -2.821 -27.903 -65.785 1.00 0.00 C ATOM 977 C GLY A 79 -1.748 -27.148 -66.536 1.00 0.00 C ATOM 978 O GLY A 79 -0.791 -27.746 -67.023 1.00 0.00 O ATOM 0 H GLY A 79 -3.691 -26.547 -64.462 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.373 -28.407 -64.929 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.233 -28.678 -66.431 1.00 0.00 H new ATOM 982 N SER A 80 -1.896 -25.839 -66.627 1.00 0.00 N ATOM 983 CA SER A 80 -0.939 -25.018 -67.347 1.00 0.00 C ATOM 984 C SER A 80 -0.349 -23.937 -66.444 1.00 0.00 C ATOM 985 O SER A 80 -0.969 -22.896 -66.217 1.00 0.00 O ATOM 986 CB SER A 80 -1.599 -24.381 -68.572 1.00 0.00 C ATOM 987 OG SER A 80 -2.167 -25.368 -69.420 1.00 0.00 O ATOM 0 H SER A 80 -2.670 -25.321 -66.211 1.00 0.00 H new ATOM 0 HA SER A 80 -0.126 -25.664 -67.678 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.373 -23.685 -68.250 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.860 -23.802 -69.127 1.00 0.00 H new ATOM 0 HG SER A 80 -2.583 -24.934 -70.194 1.00 0.00 H new ATOM 993 N CYS A 81 0.834 -24.208 -65.920 1.00 0.00 N ATOM 994 CA CYS A 81 1.547 -23.268 -65.066 1.00 0.00 C ATOM 995 C CYS A 81 2.411 -22.337 -65.926 1.00 0.00 C ATOM 996 O CYS A 81 3.133 -22.797 -66.815 1.00 0.00 O ATOM 997 CB CYS A 81 2.421 -24.041 -64.071 1.00 0.00 C ATOM 998 SG CYS A 81 3.381 -23.007 -62.945 1.00 0.00 S ATOM 0 H CYS A 81 1.329 -25.086 -66.074 1.00 0.00 H new ATOM 0 HA CYS A 81 0.830 -22.663 -64.511 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.782 -24.699 -63.482 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.106 -24.679 -64.630 1.00 0.00 H new ATOM 0 HG CYS A 81 4.078 -23.763 -62.150 1.00 0.00 H new ATOM 1003 N LYS A 82 2.322 -21.035 -65.675 1.00 0.00 N ATOM 1004 CA LYS A 82 3.068 -20.048 -66.467 1.00 0.00 C ATOM 1005 C LYS A 82 4.285 -19.512 -65.728 1.00 0.00 C ATOM 1006 O LYS A 82 5.419 -19.672 -66.184 1.00 0.00 O ATOM 1007 CB LYS A 82 2.162 -18.881 -66.888 1.00 0.00 C ATOM 1008 CG LYS A 82 1.388 -19.116 -68.177 1.00 0.00 C ATOM 1009 CD LYS A 82 0.485 -20.327 -68.081 1.00 0.00 C ATOM 1010 CE LYS A 82 -0.182 -20.632 -69.416 1.00 0.00 C ATOM 1011 NZ LYS A 82 0.812 -20.940 -70.479 1.00 0.00 N ATOM 0 H LYS A 82 1.746 -20.635 -64.935 1.00 0.00 H new ATOM 0 HA LYS A 82 3.421 -20.570 -67.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.453 -18.680 -66.085 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.774 -17.986 -67.004 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.790 -18.234 -68.407 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.088 -19.250 -69.002 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.066 -21.191 -67.757 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.278 -20.154 -67.323 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.860 -21.477 -69.298 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.787 -19.779 -69.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.518 -21.795 -70.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.870 -20.141 -71.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.744 -21.099 -70.047 1.00 0.00 H new ATOM 1025 N CYS A 83 4.048 -18.877 -64.595 1.00 0.00 N ATOM 1026 CA CYS A 83 5.118 -18.278 -63.807 1.00 0.00 C ATOM 1027 C CYS A 83 6.100 -19.336 -63.306 1.00 0.00 C ATOM 1028 O CYS A 83 7.292 -19.063 -63.121 1.00 0.00 O ATOM 1029 CB CYS A 83 4.517 -17.534 -62.632 1.00 0.00 C ATOM 1030 SG CYS A 83 3.449 -18.566 -61.623 1.00 0.00 S ATOM 0 H CYS A 83 3.117 -18.760 -64.194 1.00 0.00 H new ATOM 0 HA CYS A 83 5.670 -17.586 -64.443 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.320 -17.135 -62.012 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.947 -16.682 -63.001 1.00 0.00 H new ATOM 0 HG CYS A 83 2.265 -18.032 -61.558 1.00 0.00 H new ATOM 1035 N GLY A 84 5.597 -20.539 -63.090 1.00 0.00 N ATOM 1036 CA GLY A 84 6.435 -21.612 -62.616 1.00 0.00 C ATOM 1037 C GLY A 84 6.507 -21.659 -61.109 1.00 0.00 C ATOM 1038 O GLY A 84 7.432 -22.241 -60.545 1.00 0.00 O ATOM 0 H GLY A 84 4.619 -20.790 -63.236 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.051 -22.562 -62.989 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.439 -21.492 -63.022 1.00 0.00 H new ATOM 1042 N LYS A 85 5.540 -21.038 -60.449 1.00 0.00 N ATOM 1043 CA LYS A 85 5.505 -21.044 -58.999 1.00 0.00 C ATOM 1044 C LYS A 85 4.823 -22.296 -58.492 1.00 0.00 C ATOM 1045 O LYS A 85 5.085 -22.748 -57.380 1.00 0.00 O ATOM 1046 CB LYS A 85 4.813 -19.795 -58.449 1.00 0.00 C ATOM 1047 CG LYS A 85 5.599 -18.500 -58.657 1.00 0.00 C ATOM 1048 CD LYS A 85 7.013 -18.578 -58.066 1.00 0.00 C ATOM 1049 CE LYS A 85 6.999 -18.995 -56.595 1.00 0.00 C ATOM 1050 NZ LYS A 85 6.158 -18.098 -55.757 1.00 0.00 N ATOM 0 H LYS A 85 4.776 -20.528 -60.893 1.00 0.00 H new ATOM 0 HA LYS A 85 6.535 -21.036 -58.641 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.837 -19.695 -58.924 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.635 -19.932 -57.382 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.664 -18.284 -59.723 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.060 -17.672 -58.197 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.606 -19.291 -58.639 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.500 -17.608 -58.163 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.628 -20.017 -56.514 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.019 -18.995 -56.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.275 -18.349 -54.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.451 -17.111 -55.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.159 -18.206 -56.027 1.00 0.00 H new ATOM 1064 N GLY A 86 3.961 -22.862 -59.315 1.00 0.00 N ATOM 1065 CA GLY A 86 3.295 -24.086 -58.945 1.00 0.00 C ATOM 1066 C GLY A 86 1.798 -23.931 -58.794 1.00 0.00 C ATOM 1067 O GLY A 86 1.158 -24.714 -58.092 1.00 0.00 O ATOM 0 H GLY A 86 3.711 -22.495 -60.233 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.500 -24.845 -59.699 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.712 -24.449 -58.006 1.00 0.00 H new ATOM 1071 N CYS A 87 1.235 -22.938 -59.443 1.00 0.00 N ATOM 1072 CA CYS A 87 -0.188 -22.718 -59.395 1.00 0.00 C ATOM 1073 C CYS A 87 -0.804 -23.020 -60.754 1.00 0.00 C ATOM 1074 O CYS A 87 -0.098 -23.100 -61.760 1.00 0.00 O ATOM 1075 CB CYS A 87 -0.493 -21.286 -58.951 1.00 0.00 C ATOM 1076 SG CYS A 87 0.549 -20.037 -59.721 1.00 0.00 S ATOM 0 H CYS A 87 1.748 -22.266 -60.014 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.630 -23.392 -58.662 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.536 -21.062 -59.176 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.379 -21.221 -57.869 1.00 0.00 H new ATOM 0 HG CYS A 87 0.241 -18.865 -59.251 1.00 0.00 H new ATOM 1081 N THR A 88 -2.102 -23.212 -60.781 1.00 0.00 N ATOM 1082 CA THR A 88 -2.794 -23.535 -62.008 1.00 0.00 C ATOM 1083 C THR A 88 -3.986 -22.613 -62.215 1.00 0.00 C ATOM 1084 O THR A 88 -4.999 -22.996 -62.800 1.00 0.00 O ATOM 1085 CB THR A 88 -3.265 -24.998 -61.997 1.00 0.00 C ATOM 1086 OG1 THR A 88 -3.786 -25.331 -60.696 1.00 0.00 O ATOM 1087 CG2 THR A 88 -2.117 -25.938 -62.353 1.00 0.00 C ATOM 0 H THR A 88 -2.705 -23.150 -59.960 1.00 0.00 H new ATOM 0 HA THR A 88 -2.094 -23.395 -62.832 1.00 0.00 H new ATOM 0 HB THR A 88 -4.050 -25.116 -62.744 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.087 -26.264 -60.693 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.473 -26.968 -62.339 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.744 -25.696 -63.348 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.313 -25.822 -61.626 1.00 0.00 H new ATOM 1095 N GLY A 89 -3.853 -21.396 -61.742 1.00 0.00 N ATOM 1096 CA GLY A 89 -4.910 -20.436 -61.870 1.00 0.00 C ATOM 1097 C GLY A 89 -5.095 -19.670 -60.595 1.00 0.00 C ATOM 1098 O GLY A 89 -4.388 -19.923 -59.627 1.00 0.00 O ATOM 0 H GLY A 89 -3.019 -21.052 -61.265 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.684 -19.747 -62.683 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.838 -20.944 -62.132 1.00 0.00 H new ATOM 1102 N PRO A 90 -6.044 -18.732 -60.552 1.00 0.00 N ATOM 1103 CA PRO A 90 -6.300 -17.922 -59.351 1.00 0.00 C ATOM 1104 C PRO A 90 -6.693 -18.782 -58.154 1.00 0.00 C ATOM 1105 O PRO A 90 -6.300 -18.513 -57.024 1.00 0.00 O ATOM 1106 CB PRO A 90 -7.483 -17.041 -59.757 1.00 0.00 C ATOM 1107 CG PRO A 90 -8.083 -17.720 -60.941 1.00 0.00 C ATOM 1108 CD PRO A 90 -6.950 -18.379 -61.658 1.00 0.00 C ATOM 0 HA PRO A 90 -5.414 -17.365 -59.044 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.205 -16.952 -58.945 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.156 -16.031 -60.005 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.829 -18.453 -60.634 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.589 -17.002 -61.587 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.276 -19.258 -62.213 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.476 -17.708 -62.374 1.00 0.00 H new ATOM 1116 N ASP A 91 -7.457 -19.830 -58.434 1.00 0.00 N ATOM 1117 CA ASP A 91 -7.957 -20.752 -57.414 1.00 0.00 C ATOM 1118 C ASP A 91 -6.821 -21.382 -56.625 1.00 0.00 C ATOM 1119 O ASP A 91 -6.946 -21.634 -55.424 1.00 0.00 O ATOM 1120 CB ASP A 91 -8.776 -21.861 -58.075 1.00 0.00 C ATOM 1121 CG ASP A 91 -9.943 -21.341 -58.876 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -9.718 -20.821 -59.988 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -11.096 -21.455 -58.406 1.00 0.00 O ATOM 0 H ASP A 91 -7.751 -20.069 -59.381 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.580 -20.179 -56.727 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.126 -22.444 -58.728 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.145 -22.539 -57.306 1.00 0.00 H new ATOM 1128 N SER A 92 -5.719 -21.643 -57.299 1.00 0.00 N ATOM 1129 CA SER A 92 -4.586 -22.272 -56.669 1.00 0.00 C ATOM 1130 C SER A 92 -3.430 -21.293 -56.464 1.00 0.00 C ATOM 1131 O SER A 92 -2.372 -21.673 -55.961 1.00 0.00 O ATOM 1132 CB SER A 92 -4.140 -23.485 -57.490 1.00 0.00 C ATOM 1133 OG SER A 92 -4.116 -23.184 -58.879 1.00 0.00 O ATOM 0 H SER A 92 -5.588 -21.426 -58.287 1.00 0.00 H new ATOM 0 HA SER A 92 -4.894 -22.608 -55.679 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.148 -23.802 -57.167 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.817 -24.320 -57.308 1.00 0.00 H new ATOM 0 HG SER A 92 -4.140 -24.017 -59.395 1.00 0.00 H new ATOM 1139 N CYS A 93 -3.628 -20.035 -56.838 1.00 0.00 N ATOM 1140 CA CYS A 93 -2.580 -19.042 -56.664 1.00 0.00 C ATOM 1141 C CYS A 93 -2.634 -18.440 -55.275 1.00 0.00 C ATOM 1142 O CYS A 93 -3.400 -17.516 -55.009 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.651 -17.933 -57.725 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.337 -16.675 -57.573 1.00 0.00 S ATOM 0 H CYS A 93 -4.489 -19.684 -57.256 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.629 -19.559 -56.790 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.593 -18.387 -58.714 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.621 -17.441 -57.657 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.857 -16.404 -58.750 1.00 0.00 H new ATOM 1149 N LYS A 94 -1.844 -18.998 -54.383 1.00 0.00 N ATOM 1150 CA LYS A 94 -1.740 -18.482 -53.029 1.00 0.00 C ATOM 1151 C LYS A 94 -0.393 -17.832 -52.848 1.00 0.00 C ATOM 1152 O LYS A 94 0.121 -17.718 -51.735 1.00 0.00 O ATOM 1153 CB LYS A 94 -1.929 -19.593 -52.000 1.00 0.00 C ATOM 1154 CG LYS A 94 -3.318 -20.200 -52.005 1.00 0.00 C ATOM 1155 CD LYS A 94 -3.569 -21.077 -50.781 1.00 0.00 C ATOM 1156 CE LYS A 94 -2.721 -22.351 -50.778 1.00 0.00 C ATOM 1157 NZ LYS A 94 -1.334 -22.122 -50.294 1.00 0.00 N ATOM 0 H LYS A 94 -1.260 -19.813 -54.570 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.529 -17.746 -52.874 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.198 -20.379 -52.189 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.720 -19.195 -51.007 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.061 -19.403 -52.037 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.449 -20.795 -52.909 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.357 -20.503 -49.879 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.624 -21.349 -50.745 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.201 -23.100 -50.148 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.685 -22.760 -51.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.666 -22.248 -51.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.252 -21.154 -49.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.113 -22.803 -49.540 1.00 0.00 H new ATOM 1171 N CYS A 95 0.172 -17.409 -53.952 1.00 0.00 N ATOM 1172 CA CYS A 95 1.464 -16.784 -53.961 1.00 0.00 C ATOM 1173 C CYS A 95 1.344 -15.307 -53.651 1.00 0.00 C ATOM 1174 O CYS A 95 0.256 -14.804 -53.361 1.00 0.00 O ATOM 1175 CB CYS A 95 2.125 -16.989 -55.318 1.00 0.00 C ATOM 1176 SG CYS A 95 2.323 -18.723 -55.770 1.00 0.00 S ATOM 0 H CYS A 95 -0.258 -17.491 -54.874 1.00 0.00 H new ATOM 0 HA CYS A 95 2.083 -17.244 -53.190 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.530 -16.489 -56.082 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.104 -16.510 -55.312 1.00 0.00 H new ATOM 0 HG CYS A 95 2.691 -18.808 -57.014 1.00 0.00 H new ATOM 1181 N ASP A 96 2.455 -14.622 -53.700 1.00 0.00 N ATOM 1182 CA ASP A 96 2.482 -13.204 -53.434 1.00 0.00 C ATOM 1183 C ASP A 96 2.397 -12.443 -54.741 1.00 0.00 C ATOM 1184 O ASP A 96 2.011 -13.000 -55.775 1.00 0.00 O ATOM 1185 CB ASP A 96 3.766 -12.828 -52.687 1.00 0.00 C ATOM 1186 CG ASP A 96 3.999 -13.683 -51.460 1.00 0.00 C ATOM 1187 OD1 ASP A 96 3.496 -13.328 -50.377 1.00 0.00 O ATOM 1188 OD2 ASP A 96 4.685 -14.724 -51.575 1.00 0.00 O ATOM 0 H ASP A 96 3.364 -15.026 -53.924 1.00 0.00 H new ATOM 0 HA ASP A 96 1.629 -12.941 -52.808 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.616 -12.928 -53.361 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.716 -11.780 -52.391 1.00 0.00 H new ATOM 1193 N ARG A 97 2.783 -11.190 -54.709 1.00 0.00 N ATOM 1194 CA ARG A 97 2.740 -10.343 -55.892 1.00 0.00 C ATOM 1195 C ARG A 97 4.007 -10.524 -56.736 1.00 0.00 C ATOM 1196 O ARG A 97 4.327 -9.702 -57.596 1.00 0.00 O ATOM 1197 CB ARG A 97 2.580 -8.890 -55.464 1.00 0.00 C ATOM 1198 CG ARG A 97 3.785 -8.318 -54.742 1.00 0.00 C ATOM 1199 CD ARG A 97 3.408 -7.066 -53.988 1.00 0.00 C ATOM 1200 NE ARG A 97 4.544 -6.179 -53.765 1.00 0.00 N ATOM 1201 CZ ARG A 97 4.551 -5.178 -52.880 1.00 0.00 C ATOM 1202 NH1 ARG A 97 3.510 -4.987 -52.068 1.00 0.00 N ATOM 1203 NH2 ARG A 97 5.602 -4.377 -52.799 1.00 0.00 N ATOM 0 H ARG A 97 3.134 -10.725 -53.872 1.00 0.00 H new ATOM 0 HA ARG A 97 1.888 -10.631 -56.508 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.378 -8.283 -56.347 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.709 -8.808 -54.814 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.186 -9.059 -54.050 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.573 -8.093 -55.461 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.638 -6.531 -54.543 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.974 -7.342 -53.027 1.00 0.00 H new ATOM 0 HE ARG A 97 5.386 -6.332 -54.320 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.702 -5.607 -52.120 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.522 -4.221 -51.395 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.404 -4.525 -53.411 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.610 -3.612 -52.124 1.00 0.00 H new ATOM 1217 N SER A 98 4.706 -11.616 -56.492 1.00 0.00 N ATOM 1218 CA SER A 98 5.934 -11.926 -57.200 1.00 0.00 C ATOM 1219 C SER A 98 5.638 -12.621 -58.537 1.00 0.00 C ATOM 1220 O SER A 98 6.542 -12.885 -59.325 1.00 0.00 O ATOM 1221 CB SER A 98 6.812 -12.815 -56.327 1.00 0.00 C ATOM 1222 OG SER A 98 6.931 -12.279 -55.013 1.00 0.00 O ATOM 0 H SER A 98 4.439 -12.313 -55.797 1.00 0.00 H new ATOM 0 HA SER A 98 6.458 -10.995 -57.415 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.386 -13.817 -56.278 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.801 -12.910 -56.776 1.00 0.00 H new ATOM 0 HG SER A 98 7.497 -12.867 -54.470 1.00 0.00 H new ATOM 1228 N CYS A 99 4.368 -12.919 -58.777 1.00 0.00 N ATOM 1229 CA CYS A 99 3.957 -13.563 -60.014 1.00 0.00 C ATOM 1230 C CYS A 99 3.945 -12.580 -61.177 1.00 0.00 C ATOM 1231 O CYS A 99 3.312 -11.521 -61.109 1.00 0.00 O ATOM 1232 CB CYS A 99 2.576 -14.203 -59.862 1.00 0.00 C ATOM 1233 SG CYS A 99 2.601 -15.925 -59.332 1.00 0.00 S ATOM 0 H CYS A 99 3.605 -12.724 -58.129 1.00 0.00 H new ATOM 0 HA CYS A 99 4.687 -14.342 -60.231 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.999 -13.623 -59.142 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.053 -14.138 -60.816 1.00 0.00 H new ATOM 0 HG CYS A 99 2.933 -16.683 -60.335 1.00 0.00 H new ATOM 1238 N SER A 100 4.638 -12.939 -62.246 1.00 0.00 N ATOM 1239 CA SER A 100 4.682 -12.121 -63.446 1.00 0.00 C ATOM 1240 C SER A 100 3.319 -12.151 -64.144 1.00 0.00 C ATOM 1241 O SER A 100 3.002 -11.293 -64.965 1.00 0.00 O ATOM 1242 CB SER A 100 5.778 -12.640 -64.391 1.00 0.00 C ATOM 1243 OG SER A 100 5.991 -11.752 -65.474 1.00 0.00 O ATOM 0 H SER A 100 5.182 -13.800 -62.306 1.00 0.00 H new ATOM 0 HA SER A 100 4.914 -11.092 -63.173 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.707 -12.769 -63.836 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.496 -13.621 -64.773 1.00 0.00 H new ATOM 0 HG SER A 100 6.694 -12.109 -66.056 1.00 0.00 H new ATOM 1249 N CYS A 101 2.514 -13.142 -63.786 1.00 0.00 N ATOM 1250 CA CYS A 101 1.197 -13.307 -64.357 1.00 0.00 C ATOM 1251 C CYS A 101 0.195 -12.306 -63.770 1.00 0.00 C ATOM 1252 O CYS A 101 -0.887 -12.109 -64.320 1.00 0.00 O ATOM 1253 CB CYS A 101 0.712 -14.738 -64.139 1.00 0.00 C ATOM 1254 SG CYS A 101 1.717 -15.998 -64.965 1.00 0.00 S ATOM 0 H CYS A 101 2.760 -13.849 -63.093 1.00 0.00 H new ATOM 0 HA CYS A 101 1.266 -13.109 -65.427 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.697 -14.945 -63.069 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.315 -14.819 -64.494 1.00 0.00 H new ATOM 0 HG CYS A 101 1.513 -17.153 -64.404 1.00 0.00 H new ATOM 1259 N LYS A 102 0.554 -11.671 -62.657 1.00 0.00 N ATOM 1260 CA LYS A 102 -0.336 -10.693 -62.032 1.00 0.00 C ATOM 1261 C LYS A 102 -0.405 -9.429 -62.875 1.00 0.00 C ATOM 1262 O LYS A 102 0.579 -8.632 -62.817 1.00 0.00 O ATOM 1263 CB LYS A 102 0.127 -10.338 -60.612 1.00 0.00 C ATOM 1264 CG LYS A 102 0.234 -11.520 -59.662 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.075 -12.277 -59.562 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.022 -13.348 -58.473 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.055 -12.764 -57.101 1.00 0.00 N ATOM 0 H LYS A 102 1.441 -11.812 -62.174 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.326 -11.144 -61.967 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.100 -9.850 -60.674 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.568 -9.612 -60.189 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.019 -12.194 -60.006 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.527 -11.167 -58.673 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.884 -11.579 -59.348 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.301 -12.743 -60.521 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.864 -14.029 -58.596 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.114 -13.939 -58.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.701 -13.463 -56.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.455 -11.915 -57.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.032 -12.506 -56.857 1.00 0.00 H new