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 74 CYS SG : rot -117:sc= 1.06 USER MOD Set 1.2: A 76 CYS SG : rot 180:sc= -2.14! USER MOD Set 1.3: A 81 CYS SG : rot 140:sc= -0.329 USER MOD Set 1.4: A 83 CYS SG : rot 166:sc= 0.177 USER MOD Set 1.5: A 87 CYS SG : rot 152:sc= 1.05 USER MOD Set 1.6: A 93 CYS SG : rot 122:sc= 0.807 USER MOD Set 1.7: A 99 CYS SG : rot 180:sc= -0.214 USER MOD Set 1.8: A 101 CYS SG : rot 180:sc= -0.393 USER MOD Set 1.9: A 102 LYS NZ :NH3+ -145:sc= 0.275 (180deg=-2.95!) USER MOD Set 2.1: A 43 CYS SG : rot 180:sc= -4.44! USER MOD Set 2.2: A 44 THR OG1 : rot 146:sc= 0.78 USER MOD Set 2.3: A 47 CYS SG : rot -22:sc= 0.0974 USER MOD Set 2.4: A 48 LYS NZ :NH3+ -178:sc= -0.927 (180deg=-0.941) USER MOD Set 2.5: A 52 CYS SG : rot 180:sc= -0.743 USER MOD Set 2.6: A 54 CYS SG : rot -50:sc= -0.743 USER MOD Set 2.7: A 59 CYS SG : rot -73:sc= -1.07 USER MOD Set 2.8: A 61 CYS SG : rot -83:sc= 0.669 USER MOD Set 2.9: A 65 CYS SG : rot 180:sc= -1.82 USER MOD Set 2.10: A 67 CYS SG : rot 180:sc= 0.0998 USER MOD Set 2.11: A 70 CYS SG : rot 180:sc= 0.207 USER MOD Set 3.1: A 29 LYS NZ :NH3+ -149:sc= -0.341 (180deg=-2.27!) USER MOD Set 3.2: A 50 THR OG1 : rot -120:sc= 0.991 USER MOD Set 4.1: A 35 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.3!) USER MOD Set 4.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 12 THR OG1 : rot -121:sc= 0.139 USER MOD Set 6.2: A 14 THR OG1 : rot 180:sc= 0.191 USER MOD Set 6.3: A 27 ASN :FLIP amide:sc= -0.0199 F(o=-0.72,f=0.31) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0786 USER MOD Single : A 15 CYS SG : rot -22:sc= 0.0538 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc=-0.00482 (180deg=-0.147) USER MOD Single : A 17 GLN : amide:sc= 0.22 X(o=0.22,f=-0.065) USER MOD Single : A 18 THR OG1 : rot 46:sc= 0.00918 USER MOD Single : A 20 CYS SG : rot -150:sc= -0.027 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 161:sc= 0.915 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.864 USER MOD Single : A 28 CYS SG : rot 180:sc= -5.74! USER MOD Single : A 32 CYS SG : rot 180:sc= -0.076 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.347 USER MOD Single : A 49 GLN : amide:sc= -3.53! C(o=-3.5!,f=-5.4!) 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= -0.0301 K(o=-0.03,f=-3.1!) USER MOD Single : A 62 THR OG1 : rot -140:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= -0.448 (180deg=-1.77!) USER MOD Single : A 68 GLN : amide:sc=-0.00157 X(o=-0.0016,f=0.22) USER MOD Single : A 69 SER OG : rot -160:sc= 0 USER MOD Single : A 71 SER OG : rot 122:sc= 0.075 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= -0.0168 USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0394) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.0173 (180deg=-0.152) USER MOD Single : A 88 THR OG1 : rot 28:sc= 0.564 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 160:sc= -0.0412 USER MOD Single : A 98 SER OG : rot -60:sc= 0.197 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -10.138 -10.753 -29.949 1.00 0.00 N ATOM 94 CA GLY A 8 -9.405 -11.236 -31.068 1.00 0.00 C ATOM 95 C GLY A 8 -8.218 -12.064 -30.648 1.00 0.00 C ATOM 96 O GLY A 8 -8.315 -12.888 -29.741 1.00 0.00 O ATOM 0 HA2 GLY A 8 -10.060 -11.836 -31.700 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.065 -10.393 -31.670 1.00 0.00 H new ATOM 100 N ALA A 9 -7.097 -11.835 -31.300 1.00 0.00 N ATOM 101 CA ALA A 9 -5.850 -12.498 -30.956 1.00 0.00 C ATOM 102 C ALA A 9 -5.012 -11.562 -30.142 1.00 0.00 C ATOM 103 O ALA A 9 -3.879 -11.862 -29.784 1.00 0.00 O ATOM 104 CB ALA A 9 -5.104 -12.936 -32.209 1.00 0.00 C ATOM 0 H ALA A 9 -7.021 -11.185 -32.083 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.067 -13.394 -30.374 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.174 -13.429 -31.925 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.724 -13.629 -32.778 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.879 -12.063 -32.822 1.00 0.00 H new ATOM 110 N GLY A 10 -5.585 -10.405 -29.866 1.00 0.00 N ATOM 111 CA GLY A 10 -4.916 -9.412 -29.083 1.00 0.00 C ATOM 112 C GLY A 10 -3.945 -8.604 -29.890 1.00 0.00 C ATOM 113 O GLY A 10 -3.992 -7.377 -29.891 1.00 0.00 O ATOM 0 H GLY A 10 -6.518 -10.140 -30.180 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.655 -8.747 -28.637 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.387 -9.896 -28.262 1.00 0.00 H new ATOM 117 N CYS A 11 -3.101 -9.294 -30.611 1.00 0.00 N ATOM 118 CA CYS A 11 -2.044 -8.667 -31.364 1.00 0.00 C ATOM 119 C CYS A 11 -1.497 -9.656 -32.394 1.00 0.00 C ATOM 120 O CYS A 11 -1.594 -10.871 -32.199 1.00 0.00 O ATOM 121 CB CYS A 11 -0.959 -8.205 -30.375 1.00 0.00 C ATOM 122 SG CYS A 11 0.575 -7.615 -31.097 1.00 0.00 S ATOM 0 H CYS A 11 -3.126 -10.310 -30.694 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.410 -7.798 -31.910 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.375 -7.409 -29.758 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.727 -9.036 -29.709 1.00 0.00 H new ATOM 0 HG CYS A 11 1.392 -7.259 -30.150 1.00 0.00 H new ATOM 127 N THR A 12 -0.971 -9.149 -33.497 1.00 0.00 N ATOM 128 CA THR A 12 -0.448 -10.004 -34.551 1.00 0.00 C ATOM 129 C THR A 12 1.072 -10.016 -34.545 1.00 0.00 C ATOM 130 O THR A 12 1.717 -9.068 -34.082 1.00 0.00 O ATOM 131 CB THR A 12 -0.955 -9.568 -35.963 1.00 0.00 C ATOM 132 OG1 THR A 12 -0.510 -10.497 -36.964 1.00 0.00 O ATOM 133 CG2 THR A 12 -0.444 -8.183 -36.327 1.00 0.00 C ATOM 0 H THR A 12 -0.895 -8.150 -33.686 1.00 0.00 H new ATOM 0 HA THR A 12 -0.817 -11.009 -34.346 1.00 0.00 H new ATOM 0 HB THR A 12 -2.044 -9.551 -35.926 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.033 -10.025 -37.630 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.813 -7.907 -37.315 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.798 -7.460 -35.592 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.646 -8.188 -36.335 1.00 0.00 H new ATOM 141 N ASP A 13 1.634 -11.095 -35.062 1.00 0.00 N ATOM 142 CA ASP A 13 3.075 -11.243 -35.194 1.00 0.00 C ATOM 143 C ASP A 13 3.638 -10.092 -36.008 1.00 0.00 C ATOM 144 O ASP A 13 4.732 -9.597 -35.741 1.00 0.00 O ATOM 145 CB ASP A 13 3.403 -12.557 -35.908 1.00 0.00 C ATOM 146 CG ASP A 13 3.066 -13.790 -35.100 1.00 0.00 C ATOM 147 OD1 ASP A 13 1.879 -14.195 -35.087 1.00 0.00 O ATOM 148 OD2 ASP A 13 3.988 -14.381 -34.499 1.00 0.00 O ATOM 0 H ASP A 13 1.103 -11.896 -35.403 1.00 0.00 H new ATOM 0 HA ASP A 13 3.518 -11.245 -34.198 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.859 -12.593 -36.852 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.465 -12.572 -36.151 1.00 0.00 H new ATOM 153 N THR A 14 2.855 -9.653 -36.981 1.00 0.00 N ATOM 154 CA THR A 14 3.250 -8.601 -37.898 1.00 0.00 C ATOM 155 C THR A 14 3.485 -7.260 -37.191 1.00 0.00 C ATOM 156 O THR A 14 4.206 -6.396 -37.696 1.00 0.00 O ATOM 157 CB THR A 14 2.187 -8.416 -38.989 1.00 0.00 C ATOM 158 OG1 THR A 14 1.498 -9.665 -39.216 1.00 0.00 O ATOM 159 CG2 THR A 14 2.847 -7.970 -40.275 1.00 0.00 C ATOM 0 H THR A 14 1.920 -10.021 -37.156 1.00 0.00 H new ATOM 0 HA THR A 14 4.195 -8.914 -38.343 1.00 0.00 H new ATOM 0 HB THR A 14 1.473 -7.659 -38.664 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.819 -9.542 -39.912 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.089 -7.840 -41.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.363 -7.024 -40.110 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.566 -8.724 -40.596 1.00 0.00 H new ATOM 167 N CYS A 15 2.901 -7.102 -36.027 1.00 0.00 N ATOM 168 CA CYS A 15 3.028 -5.870 -35.277 1.00 0.00 C ATOM 169 C CYS A 15 4.356 -5.812 -34.547 1.00 0.00 C ATOM 170 O CYS A 15 4.922 -4.744 -34.337 1.00 0.00 O ATOM 171 CB CYS A 15 1.900 -5.768 -34.280 1.00 0.00 C ATOM 172 SG CYS A 15 1.946 -4.274 -33.272 1.00 0.00 S ATOM 0 H CYS A 15 2.329 -7.815 -35.574 1.00 0.00 H new ATOM 0 HA CYS A 15 2.983 -5.035 -35.976 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.951 -5.804 -34.815 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.929 -6.638 -33.624 1.00 0.00 H new ATOM 0 HG CYS A 15 3.157 -3.802 -33.250 1.00 0.00 H new ATOM 177 N LYS A 16 4.866 -6.974 -34.202 1.00 0.00 N ATOM 178 CA LYS A 16 6.097 -7.089 -33.435 1.00 0.00 C ATOM 179 C LYS A 16 7.332 -6.801 -34.296 1.00 0.00 C ATOM 180 O LYS A 16 8.462 -7.010 -33.857 1.00 0.00 O ATOM 181 CB LYS A 16 6.178 -8.494 -32.836 1.00 0.00 C ATOM 182 CG LYS A 16 4.967 -8.847 -31.982 1.00 0.00 C ATOM 183 CD LYS A 16 4.856 -10.344 -31.730 1.00 0.00 C ATOM 184 CE LYS A 16 5.944 -10.857 -30.797 1.00 0.00 C ATOM 185 NZ LYS A 16 5.795 -10.325 -29.418 1.00 0.00 N ATOM 0 H LYS A 16 4.442 -7.870 -34.443 1.00 0.00 H new ATOM 0 HA LYS A 16 6.083 -6.345 -32.639 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.272 -9.222 -33.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.080 -8.573 -32.229 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.033 -8.324 -31.028 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.061 -8.496 -32.476 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.879 -10.566 -31.301 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.915 -10.875 -32.680 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.914 -11.946 -30.770 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.921 -10.575 -31.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.422 -10.849 -28.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.050 -9.317 -29.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.809 -10.437 -29.107 1.00 0.00 H new ATOM 199 N GLN A 17 7.114 -6.304 -35.507 1.00 0.00 N ATOM 200 CA GLN A 17 8.209 -6.023 -36.424 1.00 0.00 C ATOM 201 C GLN A 17 8.728 -4.605 -36.230 1.00 0.00 C ATOM 202 O GLN A 17 8.098 -3.790 -35.553 1.00 0.00 O ATOM 203 CB GLN A 17 7.776 -6.204 -37.880 1.00 0.00 C ATOM 204 CG GLN A 17 7.124 -7.541 -38.200 1.00 0.00 C ATOM 205 CD GLN A 17 7.850 -8.729 -37.603 1.00 0.00 C ATOM 206 OE1 GLN A 17 8.810 -9.236 -38.175 1.00 0.00 O ATOM 207 NE2 GLN A 17 7.354 -9.217 -36.496 1.00 0.00 N ATOM 0 H GLN A 17 6.188 -6.087 -35.876 1.00 0.00 H new ATOM 0 HA GLN A 17 9.005 -6.734 -36.201 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.078 -5.407 -38.137 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.650 -6.081 -38.520 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.097 -7.532 -37.834 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.075 -7.662 -39.282 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.555 -8.765 -36.052 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.766 -10.050 -36.076 1.00 0.00 H new ATOM 216 N THR A 18 9.869 -4.314 -36.841 1.00 0.00 N ATOM 217 CA THR A 18 10.482 -2.998 -36.758 1.00 0.00 C ATOM 218 C THR A 18 11.142 -2.611 -38.095 1.00 0.00 C ATOM 219 O THR A 18 12.154 -3.201 -38.489 1.00 0.00 O ATOM 220 CB THR A 18 11.537 -2.943 -35.626 1.00 0.00 C ATOM 221 OG1 THR A 18 12.290 -4.167 -35.602 1.00 0.00 O ATOM 222 CG2 THR A 18 10.877 -2.726 -34.272 1.00 0.00 C ATOM 0 H THR A 18 10.393 -4.982 -37.406 1.00 0.00 H new ATOM 0 HA THR A 18 9.688 -2.285 -36.534 1.00 0.00 H new ATOM 0 HB THR A 18 12.204 -2.103 -35.824 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.560 -4.403 -36.514 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.642 -2.692 -33.496 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.327 -1.785 -34.282 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.189 -3.546 -34.067 1.00 0.00 H new ATOM 230 N PRO A 19 10.555 -1.643 -38.836 1.00 0.00 N ATOM 231 CA PRO A 19 9.283 -0.977 -38.450 1.00 0.00 C ATOM 232 C PRO A 19 8.065 -1.924 -38.548 1.00 0.00 C ATOM 233 O PRO A 19 8.193 -3.048 -39.047 1.00 0.00 O ATOM 234 CB PRO A 19 9.142 0.156 -39.481 1.00 0.00 C ATOM 235 CG PRO A 19 10.482 0.270 -40.154 1.00 0.00 C ATOM 236 CD PRO A 19 11.109 -1.091 -40.095 1.00 0.00 C ATOM 0 HA PRO A 19 9.308 -0.639 -37.414 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.359 -0.070 -40.205 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.867 1.093 -38.997 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.370 0.600 -41.187 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.107 1.007 -39.650 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.840 -1.700 -40.958 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.197 -1.036 -40.070 1.00 0.00 H new ATOM 244 N CYS A 20 6.891 -1.456 -38.069 1.00 0.00 N ATOM 245 CA CYS A 20 5.644 -2.252 -38.102 1.00 0.00 C ATOM 246 C CYS A 20 5.432 -2.900 -39.469 1.00 0.00 C ATOM 247 O CYS A 20 5.545 -2.241 -40.510 1.00 0.00 O ATOM 248 CB CYS A 20 4.420 -1.380 -37.743 1.00 0.00 C ATOM 249 SG CYS A 20 3.801 -1.572 -36.040 1.00 0.00 S ATOM 0 H CYS A 20 6.781 -0.530 -37.655 1.00 0.00 H new ATOM 0 HA CYS A 20 5.747 -3.041 -37.357 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.681 -0.334 -37.902 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.611 -1.615 -38.435 1.00 0.00 H new ATOM 0 HG CYS A 20 2.521 -1.349 -36.016 1.00 0.00 H new ATOM 254 N GLY A 21 5.126 -4.189 -39.461 1.00 0.00 N ATOM 255 CA GLY A 21 4.949 -4.917 -40.699 1.00 0.00 C ATOM 256 C GLY A 21 3.560 -4.764 -41.273 1.00 0.00 C ATOM 257 O GLY A 21 3.315 -5.148 -42.413 1.00 0.00 O ATOM 0 H GLY A 21 4.997 -4.745 -38.616 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.680 -4.568 -41.429 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.152 -5.974 -40.526 1.00 0.00 H new ATOM 261 N CYS A 22 2.644 -4.220 -40.477 1.00 0.00 N ATOM 262 CA CYS A 22 1.276 -3.995 -40.927 1.00 0.00 C ATOM 263 C CYS A 22 1.253 -3.052 -42.131 1.00 0.00 C ATOM 264 O CYS A 22 0.600 -3.329 -43.140 1.00 0.00 O ATOM 265 CB CYS A 22 0.427 -3.419 -39.788 1.00 0.00 C ATOM 266 SG CYS A 22 0.244 -4.513 -38.353 1.00 0.00 S ATOM 0 H CYS A 22 2.825 -3.927 -39.517 1.00 0.00 H new ATOM 0 HA CYS A 22 0.853 -4.953 -41.230 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.874 -2.481 -39.458 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.564 -3.181 -40.176 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.488 -3.928 -37.452 1.00 0.00 H new ATOM 271 N GLY A 23 1.982 -1.946 -42.021 1.00 0.00 N ATOM 272 CA GLY A 23 2.047 -0.982 -43.099 1.00 0.00 C ATOM 273 C GLY A 23 0.697 -0.375 -43.417 1.00 0.00 C ATOM 274 O GLY A 23 0.163 0.417 -42.632 1.00 0.00 O ATOM 0 H GLY A 23 2.532 -1.701 -41.197 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.744 -0.188 -42.831 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.443 -1.466 -43.992 1.00 0.00 H new ATOM 278 N SER A 24 0.142 -0.752 -44.554 1.00 0.00 N ATOM 279 CA SER A 24 -1.146 -0.250 -44.977 1.00 0.00 C ATOM 280 C SER A 24 -2.273 -1.186 -44.545 1.00 0.00 C ATOM 281 O SER A 24 -3.449 -0.820 -44.590 1.00 0.00 O ATOM 282 CB SER A 24 -1.163 -0.060 -46.497 1.00 0.00 C ATOM 283 OG SER A 24 -0.760 -1.246 -47.180 1.00 0.00 O ATOM 0 H SER A 24 0.570 -1.411 -45.204 1.00 0.00 H new ATOM 0 HA SER A 24 -1.310 0.714 -44.496 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.166 0.222 -46.818 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.499 0.760 -46.769 1.00 0.00 H new ATOM 0 HG SER A 24 -1.058 -1.204 -48.113 1.00 0.00 H new ATOM 289 N GLY A 25 -1.912 -2.383 -44.106 1.00 0.00 N ATOM 290 CA GLY A 25 -2.908 -3.346 -43.714 1.00 0.00 C ATOM 291 C GLY A 25 -2.687 -3.878 -42.327 1.00 0.00 C ATOM 292 O GLY A 25 -1.806 -4.703 -42.104 1.00 0.00 O ATOM 0 H GLY A 25 -0.947 -2.700 -44.016 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.894 -2.885 -43.769 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.904 -4.175 -44.422 1.00 0.00 H new ATOM 296 N CYS A 26 -3.486 -3.415 -41.403 1.00 0.00 N ATOM 297 CA CYS A 26 -3.378 -3.834 -40.024 1.00 0.00 C ATOM 298 C CYS A 26 -4.181 -5.105 -39.768 1.00 0.00 C ATOM 299 O CYS A 26 -5.314 -5.242 -40.248 1.00 0.00 O ATOM 300 CB CYS A 26 -3.855 -2.728 -39.108 1.00 0.00 C ATOM 301 SG CYS A 26 -3.948 -3.214 -37.392 1.00 0.00 S ATOM 0 H CYS A 26 -4.229 -2.739 -41.580 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.330 -4.048 -39.817 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.182 -1.875 -39.200 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.839 -2.394 -39.437 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.362 -2.209 -36.678 1.00 0.00 H new ATOM 306 N ASN A 27 -3.595 -6.023 -39.004 1.00 0.00 N ATOM 307 CA ASN A 27 -4.246 -7.293 -38.686 1.00 0.00 C ATOM 308 C ASN A 27 -4.653 -7.347 -37.204 1.00 0.00 C ATOM 309 O ASN A 27 -5.406 -8.238 -36.779 1.00 0.00 O ATOM 310 CB ASN A 27 -3.311 -8.467 -39.024 1.00 0.00 C ATOM 311 CG ASN A 27 -4.004 -9.825 -38.974 1.00 0.00 C ATOM 312 OD1 ASN A 27 -5.256 -9.879 -39.397 1.00 0.00 O flip ATOM 313 ND2 ASN A 27 -3.402 -10.828 -38.582 1.00 0.00 N flip ATOM 0 H ASN A 27 -2.668 -5.912 -38.592 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.150 -7.374 -39.290 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.895 -8.316 -40.020 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.474 -8.468 -38.326 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.436 -10.751 -38.262 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.870 -11.734 -38.578 1.00 0.00 H new ATOM 320 N CYS A 28 -4.167 -6.391 -36.418 1.00 0.00 N ATOM 321 CA CYS A 28 -4.492 -6.345 -34.998 1.00 0.00 C ATOM 322 C CYS A 28 -5.925 -5.834 -34.802 1.00 0.00 C ATOM 323 O CYS A 28 -6.605 -5.474 -35.767 1.00 0.00 O ATOM 324 CB CYS A 28 -3.489 -5.454 -34.237 1.00 0.00 C ATOM 325 SG CYS A 28 -1.752 -5.906 -34.482 1.00 0.00 S ATOM 0 H CYS A 28 -3.551 -5.643 -36.738 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.422 -7.354 -34.593 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.630 -4.419 -34.550 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.717 -5.499 -33.172 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.993 -5.097 -33.804 1.00 0.00 H new ATOM 330 N LYS A 29 -6.389 -5.829 -33.569 1.00 0.00 N ATOM 331 CA LYS A 29 -7.731 -5.355 -33.266 1.00 0.00 C ATOM 332 C LYS A 29 -7.692 -4.333 -32.143 1.00 0.00 C ATOM 333 O LYS A 29 -6.613 -3.957 -31.689 1.00 0.00 O ATOM 334 CB LYS A 29 -8.700 -6.514 -32.932 1.00 0.00 C ATOM 335 CG LYS A 29 -8.187 -7.534 -31.922 1.00 0.00 C ATOM 336 CD LYS A 29 -7.232 -8.557 -32.548 1.00 0.00 C ATOM 337 CE LYS A 29 -7.892 -9.373 -33.667 1.00 0.00 C ATOM 338 NZ LYS A 29 -7.762 -8.736 -35.016 1.00 0.00 N ATOM 0 H LYS A 29 -5.859 -6.147 -32.758 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.117 -4.872 -34.163 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.629 -6.089 -32.551 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.944 -7.037 -33.857 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.675 -7.013 -31.113 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.034 -8.058 -31.478 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.361 -8.038 -32.947 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.872 -9.234 -31.773 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.444 -10.366 -33.696 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.949 -9.507 -33.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.590 -8.980 -35.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.707 -7.703 -34.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.899 -9.082 -35.482 1.00 0.00 H new ATOM 352 N GLU A 30 -8.864 -3.909 -31.669 1.00 0.00 N ATOM 353 CA GLU A 30 -8.952 -2.889 -30.616 1.00 0.00 C ATOM 354 C GLU A 30 -8.424 -3.404 -29.282 1.00 0.00 C ATOM 355 O GLU A 30 -8.424 -2.682 -28.285 1.00 0.00 O ATOM 356 CB GLU A 30 -10.386 -2.366 -30.445 1.00 0.00 C ATOM 357 CG GLU A 30 -11.414 -3.430 -30.086 1.00 0.00 C ATOM 358 CD GLU A 30 -11.898 -4.200 -31.289 1.00 0.00 C ATOM 359 OE1 GLU A 30 -12.945 -3.832 -31.854 1.00 0.00 O ATOM 360 OE2 GLU A 30 -11.235 -5.176 -31.688 1.00 0.00 O ATOM 0 H GLU A 30 -9.767 -4.254 -31.995 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.321 -2.061 -30.939 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.389 -1.601 -29.668 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.694 -1.881 -31.371 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.977 -4.123 -29.367 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.265 -2.957 -29.596 1.00 0.00 H new ATOM 367 N ASP A 31 -8.000 -4.657 -29.261 1.00 0.00 N ATOM 368 CA ASP A 31 -7.395 -5.221 -28.075 1.00 0.00 C ATOM 369 C ASP A 31 -5.975 -4.679 -27.935 1.00 0.00 C ATOM 370 O ASP A 31 -5.419 -4.613 -26.836 1.00 0.00 O ATOM 371 CB ASP A 31 -7.362 -6.761 -28.133 1.00 0.00 C ATOM 372 CG ASP A 31 -6.866 -7.345 -26.819 1.00 0.00 C ATOM 373 OD1 ASP A 31 -7.585 -7.241 -25.811 1.00 0.00 O ATOM 374 OD2 ASP A 31 -5.751 -7.895 -26.786 1.00 0.00 O ATOM 0 H ASP A 31 -8.065 -5.298 -30.052 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.996 -4.935 -27.212 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.360 -7.142 -28.351 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.713 -7.084 -28.947 1.00 0.00 H new ATOM 379 N CYS A 32 -5.412 -4.264 -29.064 1.00 0.00 N ATOM 380 CA CYS A 32 -4.062 -3.739 -29.114 1.00 0.00 C ATOM 381 C CYS A 32 -4.072 -2.244 -28.765 1.00 0.00 C ATOM 382 O CYS A 32 -5.135 -1.621 -28.718 1.00 0.00 O ATOM 383 CB CYS A 32 -3.472 -3.972 -30.515 1.00 0.00 C ATOM 384 SG CYS A 32 -1.678 -3.767 -30.632 1.00 0.00 S ATOM 0 H CYS A 32 -5.883 -4.284 -29.969 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.439 -4.256 -28.384 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.729 -4.981 -30.838 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.948 -3.283 -31.213 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.295 -3.990 -31.854 1.00 0.00 H new ATOM 389 N ARG A 33 -2.898 -1.674 -28.522 1.00 0.00 N ATOM 390 CA ARG A 33 -2.797 -0.268 -28.145 1.00 0.00 C ATOM 391 C ARG A 33 -1.578 0.382 -28.825 1.00 0.00 C ATOM 392 O ARG A 33 -0.901 1.227 -28.238 1.00 0.00 O ATOM 393 CB ARG A 33 -2.693 -0.149 -26.603 1.00 0.00 C ATOM 394 CG ARG A 33 -2.811 1.279 -26.049 1.00 0.00 C ATOM 395 CD ARG A 33 -4.202 1.860 -26.260 1.00 0.00 C ATOM 396 NE ARG A 33 -4.318 3.238 -25.775 1.00 0.00 N ATOM 397 CZ ARG A 33 -5.455 3.946 -25.786 1.00 0.00 C ATOM 398 NH1 ARG A 33 -6.573 3.409 -26.270 1.00 0.00 N ATOM 399 NH2 ARG A 33 -5.471 5.188 -25.317 1.00 0.00 N ATOM 0 H ARG A 33 -2.004 -2.162 -28.579 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.691 0.258 -28.479 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.474 -0.762 -26.154 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.738 -0.567 -26.286 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.578 1.275 -24.984 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.074 1.918 -26.535 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.446 1.831 -27.322 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.934 1.236 -25.747 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.480 3.686 -25.406 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.565 2.456 -26.634 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.437 3.951 -26.277 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.616 5.605 -24.947 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.338 5.726 -25.326 1.00 0.00 H new ATOM 413 N CYS A 34 -1.316 0.000 -30.067 1.00 0.00 N ATOM 414 CA CYS A 34 -0.186 0.558 -30.786 1.00 0.00 C ATOM 415 C CYS A 34 -0.632 1.741 -31.612 1.00 0.00 C ATOM 416 O CYS A 34 -1.675 1.703 -32.254 1.00 0.00 O ATOM 417 CB CYS A 34 0.486 -0.489 -31.678 1.00 0.00 C ATOM 418 SG CYS A 34 2.251 -0.179 -31.975 1.00 0.00 S ATOM 0 H CYS A 34 -1.863 -0.684 -30.589 1.00 0.00 H new ATOM 0 HA CYS A 34 0.549 0.888 -30.052 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.372 -1.471 -31.218 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.033 -0.523 -32.636 1.00 0.00 H new ATOM 0 HG CYS A 34 2.734 -1.116 -32.736 1.00 0.00 H new ATOM 423 N GLN A 35 0.159 2.788 -31.589 1.00 0.00 N ATOM 424 CA GLN A 35 -0.168 4.010 -32.298 1.00 0.00 C ATOM 425 C GLN A 35 0.200 3.925 -33.778 1.00 0.00 C ATOM 426 O GLN A 35 -0.270 4.723 -34.588 1.00 0.00 O ATOM 427 CB GLN A 35 0.531 5.191 -31.634 1.00 0.00 C ATOM 428 CG GLN A 35 0.031 5.463 -30.226 1.00 0.00 C ATOM 429 CD GLN A 35 -1.369 6.047 -30.215 1.00 0.00 C ATOM 430 OE1 GLN A 35 -1.743 6.799 -31.109 1.00 0.00 O ATOM 431 NE2 GLN A 35 -2.154 5.677 -29.224 1.00 0.00 N ATOM 0 H GLN A 35 1.044 2.821 -31.082 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.247 4.154 -32.246 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.604 5.000 -31.602 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.384 6.082 -32.244 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.040 4.535 -29.654 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.713 6.151 -29.727 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.802 5.050 -28.501 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.114 6.018 -29.180 1.00 0.00 H new ATOM 440 N SER A 36 1.020 2.950 -34.127 1.00 0.00 N ATOM 441 CA SER A 36 1.471 2.791 -35.500 1.00 0.00 C ATOM 442 C SER A 36 0.356 2.260 -36.409 1.00 0.00 C ATOM 443 O SER A 36 0.201 2.707 -37.546 1.00 0.00 O ATOM 444 CB SER A 36 2.686 1.867 -35.545 1.00 0.00 C ATOM 445 OG SER A 36 3.717 2.353 -34.694 1.00 0.00 O ATOM 0 H SER A 36 1.388 2.255 -33.478 1.00 0.00 H new ATOM 0 HA SER A 36 1.753 3.774 -35.876 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.397 0.862 -35.237 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.056 1.793 -36.568 1.00 0.00 H new ATOM 0 HG SER A 36 4.487 1.748 -34.734 1.00 0.00 H new ATOM 451 N CYS A 37 -0.422 1.329 -35.898 1.00 0.00 N ATOM 452 CA CYS A 37 -1.493 0.715 -36.671 1.00 0.00 C ATOM 453 C CYS A 37 -2.854 1.038 -36.069 1.00 0.00 C ATOM 454 O CYS A 37 -3.816 0.286 -36.219 1.00 0.00 O ATOM 455 CB CYS A 37 -1.268 -0.783 -36.718 1.00 0.00 C ATOM 456 SG CYS A 37 -0.700 -1.457 -35.152 1.00 0.00 S ATOM 0 H CYS A 37 -0.336 0.976 -34.945 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.482 1.117 -37.684 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.197 -1.276 -37.004 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.535 -1.011 -37.492 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.532 -2.741 -35.268 1.00 0.00 H new ATOM 461 N LYS A 38 -2.945 2.201 -35.459 1.00 0.00 N ATOM 462 CA LYS A 38 -4.155 2.631 -34.792 1.00 0.00 C ATOM 463 C LYS A 38 -5.014 3.382 -35.786 1.00 0.00 C ATOM 464 O LYS A 38 -5.366 4.548 -35.592 1.00 0.00 O ATOM 465 CB LYS A 38 -3.804 3.512 -33.591 1.00 0.00 C ATOM 466 CG LYS A 38 -4.903 3.599 -32.545 1.00 0.00 C ATOM 467 CD LYS A 38 -5.454 5.013 -32.406 1.00 0.00 C ATOM 468 CE LYS A 38 -4.389 5.996 -31.985 1.00 0.00 C ATOM 469 NZ LYS A 38 -4.951 7.328 -31.673 1.00 0.00 N ATOM 0 H LYS A 38 -2.181 2.875 -35.412 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.709 1.769 -34.421 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.900 3.125 -33.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.574 4.517 -33.946 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.712 2.920 -32.813 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.514 3.266 -31.583 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.884 5.329 -33.356 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.261 5.017 -31.674 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.866 5.610 -31.110 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.651 6.092 -32.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.184 7.970 -31.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.428 7.709 -32.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.637 7.242 -30.896 1.00 0.00 H new ATOM 528 N CYS A 43 -8.488 3.042 -42.802 1.00 0.00 N ATOM 529 CA CYS A 43 -8.684 1.643 -43.097 1.00 0.00 C ATOM 530 C CYS A 43 -9.983 1.189 -42.460 1.00 0.00 C ATOM 531 O CYS A 43 -10.274 1.557 -41.321 1.00 0.00 O ATOM 532 CB CYS A 43 -7.499 0.824 -42.574 1.00 0.00 C ATOM 533 SG CYS A 43 -7.512 -0.923 -43.055 1.00 0.00 S ATOM 0 HA CYS A 43 -8.742 1.492 -44.175 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.575 1.278 -42.932 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.484 0.887 -41.486 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.466 -1.517 -42.561 1.00 0.00 H new ATOM 538 N THR A 44 -10.757 0.399 -43.190 1.00 0.00 N ATOM 539 CA THR A 44 -12.066 -0.036 -42.742 1.00 0.00 C ATOM 540 C THR A 44 -12.019 -0.719 -41.386 1.00 0.00 C ATOM 541 O THR A 44 -11.318 -1.711 -41.206 1.00 0.00 O ATOM 542 CB THR A 44 -12.696 -0.984 -43.771 1.00 0.00 C ATOM 543 OG1 THR A 44 -11.671 -1.517 -44.623 1.00 0.00 O ATOM 544 CG2 THR A 44 -13.715 -0.247 -44.606 1.00 0.00 C ATOM 0 H THR A 44 -10.493 0.043 -44.109 1.00 0.00 H new ATOM 0 HA THR A 44 -12.677 0.861 -42.641 1.00 0.00 H new ATOM 0 HB THR A 44 -13.194 -1.798 -43.244 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.902 -2.434 -44.879 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.154 -0.931 -45.332 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.499 0.148 -43.959 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.229 0.576 -45.131 1.00 0.00 H new ATOM 552 N ASP A 45 -12.773 -0.175 -40.425 1.00 0.00 N ATOM 553 CA ASP A 45 -12.863 -0.755 -39.078 1.00 0.00 C ATOM 554 C ASP A 45 -13.338 -2.189 -39.175 1.00 0.00 C ATOM 555 O ASP A 45 -12.983 -3.034 -38.357 1.00 0.00 O ATOM 556 CB ASP A 45 -13.840 0.037 -38.204 1.00 0.00 C ATOM 557 CG ASP A 45 -13.519 1.511 -38.127 1.00 0.00 C ATOM 558 OD1 ASP A 45 -12.853 1.935 -37.160 1.00 0.00 O ATOM 559 OD2 ASP A 45 -13.951 2.256 -39.027 1.00 0.00 O ATOM 0 H ASP A 45 -13.332 0.668 -40.554 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.874 -0.716 -38.622 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.849 -0.087 -38.597 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.836 -0.381 -37.197 1.00 0.00 H new ATOM 564 N VAL A 46 -14.134 -2.449 -40.205 1.00 0.00 N ATOM 565 CA VAL A 46 -14.677 -3.771 -40.480 1.00 0.00 C ATOM 566 C VAL A 46 -13.551 -4.760 -40.838 1.00 0.00 C ATOM 567 O VAL A 46 -13.704 -5.974 -40.702 1.00 0.00 O ATOM 568 CB VAL A 46 -15.712 -3.700 -41.632 1.00 0.00 C ATOM 569 CG1 VAL A 46 -16.430 -5.022 -41.808 1.00 0.00 C ATOM 570 CG2 VAL A 46 -16.712 -2.586 -41.373 1.00 0.00 C ATOM 0 H VAL A 46 -14.423 -1.740 -40.879 1.00 0.00 H new ATOM 0 HA VAL A 46 -15.176 -4.129 -39.580 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.174 -3.485 -42.555 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.149 -4.940 -42.623 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.705 -5.802 -42.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -16.954 -5.277 -40.887 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -17.433 -2.547 -42.190 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -17.235 -2.777 -40.436 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -16.186 -1.633 -41.307 1.00 0.00 H new ATOM 580 N CYS A 47 -12.423 -4.226 -41.274 1.00 0.00 N ATOM 581 CA CYS A 47 -11.266 -5.039 -41.608 1.00 0.00 C ATOM 582 C CYS A 47 -10.431 -5.315 -40.348 1.00 0.00 C ATOM 583 O CYS A 47 -9.724 -6.311 -40.262 1.00 0.00 O ATOM 584 CB CYS A 47 -10.415 -4.337 -42.669 1.00 0.00 C ATOM 585 SG CYS A 47 -8.919 -5.227 -43.124 1.00 0.00 S ATOM 0 H CYS A 47 -12.283 -3.224 -41.406 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.610 -5.991 -42.013 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.021 -4.187 -43.563 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.139 -3.349 -42.301 1.00 0.00 H new ATOM 0 HG CYS A 47 -8.594 -6.047 -42.169 1.00 0.00 H new ATOM 590 N LYS A 48 -10.523 -4.410 -39.359 1.00 0.00 N ATOM 591 CA LYS A 48 -9.824 -4.588 -38.089 1.00 0.00 C ATOM 592 C LYS A 48 -10.476 -5.705 -37.284 1.00 0.00 C ATOM 593 O LYS A 48 -9.939 -6.170 -36.270 1.00 0.00 O ATOM 594 CB LYS A 48 -9.845 -3.287 -37.273 1.00 0.00 C ATOM 595 CG LYS A 48 -8.882 -2.205 -37.751 1.00 0.00 C ATOM 596 CD LYS A 48 -9.292 -1.576 -39.075 1.00 0.00 C ATOM 597 CE LYS A 48 -8.183 -1.703 -40.112 1.00 0.00 C ATOM 598 NZ LYS A 48 -7.909 -3.125 -40.505 1.00 0.00 N ATOM 0 H LYS A 48 -11.074 -3.554 -39.420 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.789 -4.853 -38.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.857 -2.883 -37.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.613 -3.524 -36.235 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.816 -1.426 -36.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.886 -2.635 -37.854 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.197 -2.058 -39.445 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.532 -0.524 -38.922 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.456 -1.132 -41.000 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.270 -1.259 -39.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.124 -3.152 -41.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.654 -3.676 -39.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.760 -3.535 -40.941 1.00 0.00 H new ATOM 612 N GLN A 49 -11.637 -6.121 -37.746 1.00 0.00 N ATOM 613 CA GLN A 49 -12.400 -7.161 -37.107 1.00 0.00 C ATOM 614 C GLN A 49 -11.831 -8.519 -37.469 1.00 0.00 C ATOM 615 O GLN A 49 -11.106 -8.662 -38.451 1.00 0.00 O ATOM 616 CB GLN A 49 -13.855 -7.077 -37.557 1.00 0.00 C ATOM 617 CG GLN A 49 -14.446 -5.686 -37.427 1.00 0.00 C ATOM 618 CD GLN A 49 -15.844 -5.590 -37.988 1.00 0.00 C ATOM 619 OE1 GLN A 49 -16.218 -6.332 -38.894 1.00 0.00 O ATOM 620 NE2 GLN A 49 -16.626 -4.678 -37.460 1.00 0.00 N ATOM 0 H GLN A 49 -12.077 -5.740 -38.584 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.346 -7.030 -36.026 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.925 -7.398 -38.596 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.451 -7.774 -36.967 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.461 -5.399 -36.375 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.803 -4.973 -37.943 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.279 -4.081 -36.709 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.581 -4.566 -37.800 1.00 0.00 H new ATOM 629 N THR A 50 -12.139 -9.503 -36.676 1.00 0.00 N ATOM 630 CA THR A 50 -11.696 -10.843 -36.938 1.00 0.00 C ATOM 631 C THR A 50 -12.766 -11.836 -36.510 1.00 0.00 C ATOM 632 O THR A 50 -13.147 -11.886 -35.342 1.00 0.00 O ATOM 633 CB THR A 50 -10.357 -11.148 -36.244 1.00 0.00 C ATOM 634 OG1 THR A 50 -9.393 -10.150 -36.630 1.00 0.00 O ATOM 635 CG2 THR A 50 -9.844 -12.522 -36.656 1.00 0.00 C ATOM 0 H THR A 50 -12.702 -9.401 -35.832 1.00 0.00 H new ATOM 0 HA THR A 50 -11.530 -10.940 -38.011 1.00 0.00 H new ATOM 0 HB THR A 50 -10.505 -11.136 -35.164 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.635 -10.583 -37.076 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.896 -12.721 -36.156 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.571 -13.282 -36.372 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.697 -12.547 -37.736 1.00 0.00 H new ATOM 643 N PRO A 51 -13.293 -12.615 -37.464 1.00 0.00 N ATOM 644 CA PRO A 51 -12.862 -12.561 -38.862 1.00 0.00 C ATOM 645 C PRO A 51 -13.271 -11.262 -39.539 1.00 0.00 C ATOM 646 O PRO A 51 -14.206 -10.586 -39.102 1.00 0.00 O ATOM 647 CB PRO A 51 -13.580 -13.745 -39.501 1.00 0.00 C ATOM 648 CG PRO A 51 -14.784 -13.943 -38.656 1.00 0.00 C ATOM 649 CD PRO A 51 -14.371 -13.587 -37.260 1.00 0.00 C ATOM 0 HA PRO A 51 -11.777 -12.604 -38.957 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.850 -13.535 -40.536 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.950 -14.634 -39.510 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.606 -13.311 -38.993 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.133 -14.974 -38.709 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -15.197 -13.158 -36.693 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.025 -14.461 -36.708 1.00 0.00 H new ATOM 657 N CYS A 52 -12.551 -10.912 -40.581 1.00 0.00 N ATOM 658 CA CYS A 52 -12.808 -9.703 -41.331 1.00 0.00 C ATOM 659 C CYS A 52 -14.216 -9.717 -41.920 1.00 0.00 C ATOM 660 O CYS A 52 -14.729 -10.774 -42.315 1.00 0.00 O ATOM 661 CB CYS A 52 -11.783 -9.575 -42.437 1.00 0.00 C ATOM 662 SG CYS A 52 -12.004 -8.146 -43.484 1.00 0.00 S ATOM 0 H CYS A 52 -11.767 -11.461 -40.934 1.00 0.00 H new ATOM 0 HA CYS A 52 -12.732 -8.848 -40.659 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.789 -9.534 -41.992 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.819 -10.472 -43.055 1.00 0.00 H new ATOM 0 HG CYS A 52 -11.077 -8.128 -44.395 1.00 0.00 H new ATOM 667 N GLY A 53 -14.839 -8.553 -41.979 1.00 0.00 N ATOM 668 CA GLY A 53 -16.186 -8.483 -42.487 1.00 0.00 C ATOM 669 C GLY A 53 -16.297 -7.702 -43.776 1.00 0.00 C ATOM 670 O GLY A 53 -17.402 -7.462 -44.267 1.00 0.00 O ATOM 0 H GLY A 53 -14.438 -7.662 -41.686 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.559 -9.494 -42.649 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.827 -8.023 -41.735 1.00 0.00 H new ATOM 674 N CYS A 54 -15.166 -7.308 -44.338 1.00 0.00 N ATOM 675 CA CYS A 54 -15.160 -6.548 -45.595 1.00 0.00 C ATOM 676 C CYS A 54 -15.707 -7.353 -46.770 1.00 0.00 C ATOM 677 O CYS A 54 -15.956 -6.814 -47.846 1.00 0.00 O ATOM 678 CB CYS A 54 -13.773 -6.040 -45.919 1.00 0.00 C ATOM 679 SG CYS A 54 -13.260 -4.630 -44.934 1.00 0.00 S ATOM 0 H CYS A 54 -14.241 -7.496 -43.953 1.00 0.00 H new ATOM 0 HA CYS A 54 -15.825 -5.698 -45.441 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -13.058 -6.850 -45.774 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -13.735 -5.766 -46.973 1.00 0.00 H new ATOM 0 HG CYS A 54 -14.192 -3.724 -44.954 1.00 0.00 H new ATOM 684 N ALA A 55 -15.890 -8.636 -46.568 1.00 0.00 N ATOM 685 CA ALA A 55 -16.440 -9.482 -47.603 1.00 0.00 C ATOM 686 C ALA A 55 -17.865 -9.876 -47.257 1.00 0.00 C ATOM 687 O ALA A 55 -18.485 -10.703 -47.933 1.00 0.00 O ATOM 688 CB ALA A 55 -15.575 -10.710 -47.786 1.00 0.00 C ATOM 0 H ALA A 55 -15.667 -9.118 -45.697 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.456 -8.928 -48.542 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.999 -11.340 -48.568 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.568 -10.406 -48.071 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.535 -11.269 -46.851 1.00 0.00 H new ATOM 694 N THR A 56 -18.376 -9.277 -46.203 1.00 0.00 N ATOM 695 CA THR A 56 -19.711 -9.568 -45.729 1.00 0.00 C ATOM 696 C THR A 56 -20.561 -8.289 -45.633 1.00 0.00 C ATOM 697 O THR A 56 -21.744 -8.293 -45.973 1.00 0.00 O ATOM 698 CB THR A 56 -19.653 -10.244 -44.341 1.00 0.00 C ATOM 699 OG1 THR A 56 -18.690 -11.313 -44.367 1.00 0.00 O ATOM 700 CG2 THR A 56 -21.015 -10.803 -43.949 1.00 0.00 C ATOM 0 H THR A 56 -17.879 -8.577 -45.652 1.00 0.00 H new ATOM 0 HA THR A 56 -20.175 -10.244 -46.448 1.00 0.00 H new ATOM 0 HB THR A 56 -19.360 -9.494 -43.606 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.652 -11.741 -43.486 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.947 -11.273 -42.968 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.744 -9.993 -43.913 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.330 -11.543 -44.685 1.00 0.00 H new ATOM 708 N SER A 57 -19.949 -7.200 -45.187 1.00 0.00 N ATOM 709 CA SER A 57 -20.678 -5.953 -44.993 1.00 0.00 C ATOM 710 C SER A 57 -20.328 -4.918 -46.065 1.00 0.00 C ATOM 711 O SER A 57 -21.196 -4.171 -46.529 1.00 0.00 O ATOM 712 CB SER A 57 -20.386 -5.387 -43.596 1.00 0.00 C ATOM 713 OG SER A 57 -21.143 -4.216 -43.343 1.00 0.00 O ATOM 0 H SER A 57 -18.957 -7.154 -44.954 1.00 0.00 H new ATOM 0 HA SER A 57 -21.742 -6.172 -45.082 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.615 -6.140 -42.842 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.323 -5.161 -43.508 1.00 0.00 H new ATOM 0 HG SER A 57 -20.936 -3.880 -42.446 1.00 0.00 H new ATOM 719 N GLY A 58 -19.076 -4.887 -46.464 1.00 0.00 N ATOM 720 CA GLY A 58 -18.633 -3.908 -47.425 1.00 0.00 C ATOM 721 C GLY A 58 -17.148 -3.732 -47.350 1.00 0.00 C ATOM 722 O GLY A 58 -16.544 -4.065 -46.338 1.00 0.00 O ATOM 0 H GLY A 58 -18.351 -5.526 -46.138 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -18.917 -4.222 -48.429 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -19.128 -2.955 -47.236 1.00 0.00 H new ATOM 726 N CYS A 59 -16.556 -3.205 -48.393 1.00 0.00 N ATOM 727 CA CYS A 59 -15.119 -3.090 -48.449 1.00 0.00 C ATOM 728 C CYS A 59 -14.690 -1.739 -49.016 1.00 0.00 C ATOM 729 O CYS A 59 -15.301 -1.227 -49.959 1.00 0.00 O ATOM 730 CB CYS A 59 -14.573 -4.222 -49.310 1.00 0.00 C ATOM 731 SG CYS A 59 -12.788 -4.378 -49.301 1.00 0.00 S ATOM 0 H CYS A 59 -17.046 -2.849 -49.214 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.717 -3.160 -47.438 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -15.008 -5.162 -48.969 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -14.905 -4.071 -50.337 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.264 -3.406 -49.988 1.00 0.00 H new ATOM 736 N ASN A 60 -13.641 -1.158 -48.434 1.00 0.00 N ATOM 737 CA ASN A 60 -13.113 0.124 -48.906 1.00 0.00 C ATOM 738 C ASN A 60 -11.692 -0.034 -49.416 1.00 0.00 C ATOM 739 O ASN A 60 -11.352 0.457 -50.492 1.00 0.00 O ATOM 740 CB ASN A 60 -13.140 1.203 -47.808 1.00 0.00 C ATOM 741 CG ASN A 60 -14.541 1.641 -47.406 1.00 0.00 C ATOM 742 OD1 ASN A 60 -15.481 0.848 -47.393 1.00 0.00 O ATOM 743 ND2 ASN A 60 -14.688 2.913 -47.085 1.00 0.00 N ATOM 0 H ASN A 60 -13.141 -1.552 -47.637 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.762 0.448 -49.720 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.622 0.824 -46.927 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.583 2.074 -48.155 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.605 3.268 -46.814 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.884 3.541 -47.108 1.00 0.00 H new ATOM 750 N CYS A 61 -10.861 -0.725 -48.644 1.00 0.00 N ATOM 751 CA CYS A 61 -9.468 -0.935 -49.009 1.00 0.00 C ATOM 752 C CYS A 61 -9.338 -1.887 -50.204 1.00 0.00 C ATOM 753 O CYS A 61 -10.333 -2.409 -50.708 1.00 0.00 O ATOM 754 CB CYS A 61 -8.675 -1.440 -47.803 1.00 0.00 C ATOM 755 SG CYS A 61 -9.533 -2.691 -46.830 1.00 0.00 S ATOM 0 H CYS A 61 -11.131 -1.151 -47.757 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.048 0.022 -49.318 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.728 -1.852 -48.151 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.437 -0.594 -47.158 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.345 -2.111 -45.996 1.00 0.00 H new ATOM 760 N THR A 62 -8.118 -2.102 -50.655 1.00 0.00 N ATOM 761 CA THR A 62 -7.873 -2.923 -51.827 1.00 0.00 C ATOM 762 C THR A 62 -6.997 -4.126 -51.500 1.00 0.00 C ATOM 763 O THR A 62 -6.671 -4.372 -50.339 1.00 0.00 O ATOM 764 CB THR A 62 -7.185 -2.090 -52.927 1.00 0.00 C ATOM 765 OG1 THR A 62 -6.030 -1.429 -52.386 1.00 0.00 O ATOM 766 CG2 THR A 62 -8.142 -1.060 -53.506 1.00 0.00 C ATOM 0 H THR A 62 -7.276 -1.718 -50.226 1.00 0.00 H new ATOM 0 HA THR A 62 -8.841 -3.282 -52.177 1.00 0.00 H new ATOM 0 HB THR A 62 -6.879 -2.764 -53.727 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.971 -0.522 -52.752 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.633 -0.485 -54.280 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.004 -1.567 -53.939 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.476 -0.388 -52.715 1.00 0.00 H new ATOM 774 N ASP A 63 -6.590 -4.853 -52.551 1.00 0.00 N ATOM 775 CA ASP A 63 -5.706 -6.025 -52.421 1.00 0.00 C ATOM 776 C ASP A 63 -4.293 -5.596 -51.995 1.00 0.00 C ATOM 777 O ASP A 63 -3.367 -6.402 -51.947 1.00 0.00 O ATOM 778 CB ASP A 63 -5.638 -6.791 -53.757 1.00 0.00 C ATOM 779 CG ASP A 63 -6.977 -7.338 -54.208 1.00 0.00 C ATOM 780 OD1 ASP A 63 -7.195 -8.558 -54.105 1.00 0.00 O ATOM 781 OD2 ASP A 63 -7.823 -6.542 -54.685 1.00 0.00 O ATOM 0 H ASP A 63 -6.862 -4.648 -53.512 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.118 -6.679 -51.653 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.247 -6.127 -54.528 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.932 -7.616 -53.659 1.00 0.00 H new ATOM 786 N ASP A 64 -4.147 -4.308 -51.722 1.00 0.00 N ATOM 787 CA ASP A 64 -2.897 -3.722 -51.249 1.00 0.00 C ATOM 788 C ASP A 64 -2.738 -3.982 -49.760 1.00 0.00 C ATOM 789 O ASP A 64 -1.641 -3.894 -49.205 1.00 0.00 O ATOM 790 CB ASP A 64 -2.925 -2.207 -51.497 1.00 0.00 C ATOM 791 CG ASP A 64 -1.677 -1.489 -51.005 1.00 0.00 C ATOM 792 OD1 ASP A 64 -1.683 -0.982 -49.861 1.00 0.00 O ATOM 793 OD2 ASP A 64 -0.694 -1.407 -51.770 1.00 0.00 O ATOM 0 H ASP A 64 -4.902 -3.630 -51.823 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.061 -4.171 -51.785 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.043 -2.024 -52.565 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.798 -1.782 -51.002 1.00 0.00 H new ATOM 798 N CYS A 65 -3.841 -4.315 -49.130 1.00 0.00 N ATOM 799 CA CYS A 65 -3.878 -4.534 -47.701 1.00 0.00 C ATOM 800 C CYS A 65 -3.250 -5.889 -47.348 1.00 0.00 C ATOM 801 O CYS A 65 -3.297 -6.828 -48.141 1.00 0.00 O ATOM 802 CB CYS A 65 -5.335 -4.465 -47.214 1.00 0.00 C ATOM 803 SG CYS A 65 -5.537 -3.993 -45.478 1.00 0.00 S ATOM 0 H CYS A 65 -4.740 -4.442 -49.594 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.298 -3.758 -47.202 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.877 -3.751 -47.835 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.800 -5.439 -47.367 1.00 0.00 H new ATOM 0 HG CYS A 65 -6.802 -3.965 -45.180 1.00 0.00 H new ATOM 808 N LYS A 66 -2.651 -5.977 -46.158 1.00 0.00 N ATOM 809 CA LYS A 66 -2.035 -7.223 -45.683 1.00 0.00 C ATOM 810 C LYS A 66 -3.092 -8.280 -45.368 1.00 0.00 C ATOM 811 O LYS A 66 -2.755 -9.433 -45.088 1.00 0.00 O ATOM 812 CB LYS A 66 -1.168 -6.978 -44.432 1.00 0.00 C ATOM 813 CG LYS A 66 0.268 -6.515 -44.709 1.00 0.00 C ATOM 814 CD LYS A 66 1.165 -7.625 -45.312 1.00 0.00 C ATOM 815 CE LYS A 66 1.262 -8.864 -44.419 1.00 0.00 C ATOM 816 NZ LYS A 66 0.153 -9.838 -44.661 1.00 0.00 N ATOM 0 H LYS A 66 -2.578 -5.199 -45.502 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.398 -7.589 -46.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.660 -6.230 -43.810 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.129 -7.899 -43.851 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.243 -5.666 -45.393 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.714 -6.162 -43.779 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.770 -7.915 -46.286 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.165 -7.225 -45.480 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.218 -9.358 -44.592 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.248 -8.555 -43.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.293 -10.089 -43.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.556 -9.408 -45.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.536 -10.696 -45.108 1.00 0.00 H new ATOM 830 N CYS A 67 -4.359 -7.882 -45.387 1.00 0.00 N ATOM 831 CA CYS A 67 -5.442 -8.811 -45.139 1.00 0.00 C ATOM 832 C CYS A 67 -5.857 -9.472 -46.440 1.00 0.00 C ATOM 833 O CYS A 67 -5.724 -8.887 -47.517 1.00 0.00 O ATOM 834 CB CYS A 67 -6.636 -8.115 -44.494 1.00 0.00 C ATOM 835 SG CYS A 67 -7.929 -9.262 -43.954 1.00 0.00 S ATOM 0 H CYS A 67 -4.656 -6.924 -45.572 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.088 -9.571 -44.443 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.291 -7.538 -43.636 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.062 -7.407 -45.205 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.905 -8.593 -43.416 1.00 0.00 H new ATOM 840 N GLN A 68 -6.362 -10.683 -46.345 1.00 0.00 N ATOM 841 CA GLN A 68 -6.712 -11.436 -47.528 1.00 0.00 C ATOM 842 C GLN A 68 -8.182 -11.810 -47.562 1.00 0.00 C ATOM 843 O GLN A 68 -8.631 -12.477 -48.488 1.00 0.00 O ATOM 844 CB GLN A 68 -5.862 -12.680 -47.602 1.00 0.00 C ATOM 845 CG GLN A 68 -4.383 -12.393 -47.717 1.00 0.00 C ATOM 846 CD GLN A 68 -3.560 -13.602 -47.405 1.00 0.00 C ATOM 847 OE1 GLN A 68 -4.008 -14.733 -47.600 1.00 0.00 O ATOM 848 NE2 GLN A 68 -2.353 -13.390 -46.923 1.00 0.00 N ATOM 0 H GLN A 68 -6.539 -11.165 -45.464 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.523 -10.799 -48.392 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.039 -13.285 -46.712 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.176 -13.275 -48.459 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.156 -12.049 -48.726 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.115 -11.585 -47.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.022 -12.436 -46.777 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.749 -14.180 -46.695 1.00 0.00 H new ATOM 857 N SER A 69 -8.932 -11.386 -46.568 1.00 0.00 N ATOM 858 CA SER A 69 -10.349 -11.697 -46.530 1.00 0.00 C ATOM 859 C SER A 69 -11.111 -10.862 -47.553 1.00 0.00 C ATOM 860 O SER A 69 -12.094 -11.316 -48.134 1.00 0.00 O ATOM 861 CB SER A 69 -10.903 -11.475 -45.130 1.00 0.00 C ATOM 862 OG SER A 69 -10.231 -12.298 -44.187 1.00 0.00 O ATOM 0 H SER A 69 -8.592 -10.831 -45.783 1.00 0.00 H new ATOM 0 HA SER A 69 -10.479 -12.748 -46.788 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.790 -10.427 -44.851 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.970 -11.695 -45.117 1.00 0.00 H new ATOM 0 HG SER A 69 -10.781 -12.389 -43.381 1.00 0.00 H new ATOM 868 N CYS A 70 -10.640 -9.653 -47.774 1.00 0.00 N ATOM 869 CA CYS A 70 -11.252 -8.751 -48.732 1.00 0.00 C ATOM 870 C CYS A 70 -10.428 -8.665 -50.014 1.00 0.00 C ATOM 871 O CYS A 70 -10.821 -8.005 -50.983 1.00 0.00 O ATOM 872 CB CYS A 70 -11.394 -7.391 -48.100 1.00 0.00 C ATOM 873 SG CYS A 70 -10.019 -6.980 -47.019 1.00 0.00 S ATOM 0 H CYS A 70 -9.825 -9.267 -47.297 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.236 -9.134 -49.004 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.472 -6.637 -48.884 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.322 -7.355 -47.530 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.204 -5.798 -46.511 1.00 0.00 H new ATOM 878 N SER A 71 -9.288 -9.327 -50.010 1.00 0.00 N ATOM 879 CA SER A 71 -8.429 -9.378 -51.173 1.00 0.00 C ATOM 880 C SER A 71 -8.600 -10.725 -51.862 1.00 0.00 C ATOM 881 O SER A 71 -9.165 -11.658 -51.277 1.00 0.00 O ATOM 882 CB SER A 71 -6.970 -9.180 -50.756 1.00 0.00 C ATOM 883 OG SER A 71 -6.824 -8.004 -49.975 1.00 0.00 O ATOM 0 H SER A 71 -8.934 -9.842 -49.204 1.00 0.00 H new ATOM 0 HA SER A 71 -8.703 -8.581 -51.864 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.629 -10.045 -50.187 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.339 -9.114 -51.643 1.00 0.00 H new ATOM 0 HG SER A 71 -6.446 -8.236 -49.101 1.00 0.00 H new ATOM 889 N THR A 72 -8.148 -10.834 -53.093 1.00 0.00 N ATOM 890 CA THR A 72 -8.249 -12.085 -53.799 1.00 0.00 C ATOM 891 C THR A 72 -7.097 -13.004 -53.384 1.00 0.00 C ATOM 892 O THR A 72 -5.962 -12.553 -53.167 1.00 0.00 O ATOM 893 CB THR A 72 -8.288 -11.892 -55.343 1.00 0.00 C ATOM 894 OG1 THR A 72 -8.711 -13.100 -55.986 1.00 0.00 O ATOM 895 CG2 THR A 72 -6.939 -11.498 -55.885 1.00 0.00 C ATOM 0 H THR A 72 -7.711 -10.077 -53.619 1.00 0.00 H new ATOM 0 HA THR A 72 -9.196 -12.551 -53.525 1.00 0.00 H new ATOM 0 HB THR A 72 -8.998 -11.091 -55.551 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.733 -12.964 -56.956 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.004 -11.372 -56.966 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.623 -10.560 -55.428 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.212 -12.277 -55.654 1.00 0.00 H new ATOM 903 N ALA A 73 -7.394 -14.272 -53.257 1.00 0.00 N ATOM 904 CA ALA A 73 -6.418 -15.243 -52.803 1.00 0.00 C ATOM 905 C ALA A 73 -5.440 -15.596 -53.909 1.00 0.00 C ATOM 906 O ALA A 73 -5.800 -15.605 -55.087 1.00 0.00 O ATOM 907 CB ALA A 73 -7.120 -16.494 -52.299 1.00 0.00 C ATOM 0 H ALA A 73 -8.313 -14.664 -53.463 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.852 -14.799 -51.984 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.377 -17.217 -51.961 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.777 -16.233 -51.469 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.709 -16.930 -53.105 1.00 0.00 H new ATOM 913 N CYS A 74 -4.200 -15.863 -53.533 1.00 0.00 N ATOM 914 CA CYS A 74 -3.199 -16.274 -54.496 1.00 0.00 C ATOM 915 C CYS A 74 -3.567 -17.659 -55.006 1.00 0.00 C ATOM 916 O CYS A 74 -4.037 -18.503 -54.243 1.00 0.00 O ATOM 917 CB CYS A 74 -1.809 -16.292 -53.861 1.00 0.00 C ATOM 918 SG CYS A 74 -0.453 -15.935 -55.012 1.00 0.00 S ATOM 0 H CYS A 74 -3.866 -15.802 -52.571 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.173 -15.565 -55.323 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.783 -15.562 -53.052 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.640 -17.271 -53.413 1.00 0.00 H new ATOM 0 HG CYS A 74 0.328 -16.970 -55.096 1.00 0.00 H new ATOM 923 N LYS A 75 -3.373 -17.886 -56.275 1.00 0.00 N ATOM 924 CA LYS A 75 -3.783 -19.145 -56.889 1.00 0.00 C ATOM 925 C LYS A 75 -2.750 -20.248 -56.724 1.00 0.00 C ATOM 926 O LYS A 75 -3.019 -21.408 -57.040 1.00 0.00 O ATOM 927 CB LYS A 75 -4.064 -18.922 -58.349 1.00 0.00 C ATOM 928 CG LYS A 75 -5.084 -17.845 -58.594 1.00 0.00 C ATOM 929 CD LYS A 75 -4.956 -17.295 -59.982 1.00 0.00 C ATOM 930 CE LYS A 75 -5.242 -18.343 -61.032 1.00 0.00 C ATOM 931 NZ LYS A 75 -5.234 -17.767 -62.393 1.00 0.00 N ATOM 0 H LYS A 75 -2.935 -17.224 -56.915 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.684 -19.478 -56.374 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.136 -18.657 -58.856 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.415 -19.854 -58.792 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.086 -18.248 -58.449 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.954 -17.043 -57.867 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.645 -16.459 -60.106 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.949 -16.903 -60.126 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.497 -19.136 -60.968 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.212 -18.800 -60.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.434 -18.515 -63.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.962 -17.027 -62.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.300 -17.353 -62.589 1.00 0.00 H new ATOM 945 N CYS A 76 -1.587 -19.899 -56.241 1.00 0.00 N ATOM 946 CA CYS A 76 -0.520 -20.870 -56.058 1.00 0.00 C ATOM 947 C CYS A 76 -0.862 -21.936 -55.033 1.00 0.00 C ATOM 948 O CYS A 76 -1.783 -21.784 -54.225 1.00 0.00 O ATOM 949 CB CYS A 76 0.757 -20.182 -55.662 1.00 0.00 C ATOM 950 SG CYS A 76 1.460 -19.203 -56.963 1.00 0.00 S ATOM 0 H CYS A 76 -1.346 -18.948 -55.964 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.390 -21.370 -57.018 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.565 -19.544 -54.800 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.483 -20.932 -55.348 1.00 0.00 H new ATOM 0 HG CYS A 76 2.555 -18.643 -56.541 1.00 0.00 H new ATOM 955 N ALA A 77 -0.103 -23.008 -55.075 1.00 0.00 N ATOM 956 CA ALA A 77 -0.266 -24.107 -54.159 1.00 0.00 C ATOM 957 C ALA A 77 1.032 -24.345 -53.429 1.00 0.00 C ATOM 958 O ALA A 77 2.058 -23.737 -53.767 1.00 0.00 O ATOM 959 CB ALA A 77 -0.680 -25.362 -54.903 1.00 0.00 C ATOM 0 H ALA A 77 0.649 -23.140 -55.752 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.048 -23.859 -53.442 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.799 -26.182 -54.195 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.626 -25.186 -55.416 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.086 -25.621 -55.634 1.00 0.00 H new ATOM 965 N ALA A 78 1.001 -25.220 -52.443 1.00 0.00 N ATOM 966 CA ALA A 78 2.186 -25.542 -51.677 1.00 0.00 C ATOM 967 C ALA A 78 3.216 -26.243 -52.554 1.00 0.00 C ATOM 968 O ALA A 78 3.141 -27.452 -52.777 1.00 0.00 O ATOM 969 CB ALA A 78 1.826 -26.404 -50.480 1.00 0.00 C ATOM 0 H ALA A 78 0.162 -25.723 -52.153 1.00 0.00 H new ATOM 0 HA ALA A 78 2.624 -24.613 -51.312 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.728 -26.637 -49.915 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.127 -25.865 -49.841 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.364 -27.330 -50.824 1.00 0.00 H new ATOM 975 N GLY A 79 4.143 -25.468 -53.082 1.00 0.00 N ATOM 976 CA GLY A 79 5.185 -26.014 -53.920 1.00 0.00 C ATOM 977 C GLY A 79 4.963 -25.714 -55.391 1.00 0.00 C ATOM 978 O GLY A 79 5.525 -26.382 -56.260 1.00 0.00 O ATOM 0 H GLY A 79 4.193 -24.459 -52.944 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.147 -25.606 -53.610 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.235 -27.093 -53.776 1.00 0.00 H new ATOM 982 N SER A 80 4.129 -24.726 -55.679 1.00 0.00 N ATOM 983 CA SER A 80 3.855 -24.353 -57.057 1.00 0.00 C ATOM 984 C SER A 80 3.585 -22.853 -57.189 1.00 0.00 C ATOM 985 O SER A 80 2.457 -22.405 -56.988 1.00 0.00 O ATOM 986 CB SER A 80 2.659 -25.145 -57.598 1.00 0.00 C ATOM 987 OG SER A 80 2.862 -26.544 -57.459 1.00 0.00 O ATOM 0 H SER A 80 3.633 -24.172 -54.981 1.00 0.00 H new ATOM 0 HA SER A 80 4.742 -24.592 -57.644 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.755 -24.852 -57.065 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.503 -24.900 -58.649 1.00 0.00 H new ATOM 0 HG SER A 80 2.083 -27.024 -57.811 1.00 0.00 H new ATOM 993 N CYS A 81 4.624 -22.088 -57.495 1.00 0.00 N ATOM 994 CA CYS A 81 4.494 -20.661 -57.721 1.00 0.00 C ATOM 995 C CYS A 81 4.401 -20.362 -59.211 1.00 0.00 C ATOM 996 O CYS A 81 5.226 -20.825 -59.997 1.00 0.00 O ATOM 997 CB CYS A 81 5.678 -19.912 -57.119 1.00 0.00 C ATOM 998 SG CYS A 81 5.618 -19.740 -55.327 1.00 0.00 S ATOM 0 H CYS A 81 5.576 -22.441 -57.593 1.00 0.00 H new ATOM 0 HA CYS A 81 3.579 -20.324 -57.234 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.597 -20.431 -57.391 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.729 -18.919 -57.565 1.00 0.00 H new ATOM 0 HG CYS A 81 6.808 -19.915 -54.834 1.00 0.00 H new ATOM 1003 N LYS A 82 3.393 -19.602 -59.594 1.00 0.00 N ATOM 1004 CA LYS A 82 3.186 -19.255 -60.998 1.00 0.00 C ATOM 1005 C LYS A 82 3.738 -17.881 -61.278 1.00 0.00 C ATOM 1006 O LYS A 82 4.576 -17.704 -62.164 1.00 0.00 O ATOM 1007 CB LYS A 82 1.696 -19.329 -61.372 1.00 0.00 C ATOM 1008 CG LYS A 82 1.139 -20.750 -61.433 1.00 0.00 C ATOM 1009 CD LYS A 82 1.220 -21.446 -60.084 1.00 0.00 C ATOM 1010 CE LYS A 82 0.852 -22.920 -60.190 1.00 0.00 C ATOM 1011 NZ LYS A 82 -0.544 -23.119 -60.649 1.00 0.00 N ATOM 0 H LYS A 82 2.701 -19.210 -58.956 1.00 0.00 H new ATOM 0 HA LYS A 82 3.719 -19.979 -61.614 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.121 -18.756 -60.645 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.551 -18.851 -62.341 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.101 -20.720 -61.765 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.694 -21.326 -62.173 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.230 -21.350 -59.685 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.551 -20.953 -59.379 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.534 -23.414 -60.882 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.984 -23.396 -59.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.765 -24.135 -60.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.195 -22.628 -60.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.652 -22.733 -61.609 1.00 0.00 H new ATOM 1025 N CYS A 83 3.280 -16.912 -60.512 1.00 0.00 N ATOM 1026 CA CYS A 83 3.773 -15.556 -60.611 1.00 0.00 C ATOM 1027 C CYS A 83 5.256 -15.524 -60.233 1.00 0.00 C ATOM 1028 O CYS A 83 6.037 -14.759 -60.789 1.00 0.00 O ATOM 1029 CB CYS A 83 2.977 -14.680 -59.673 1.00 0.00 C ATOM 1030 SG CYS A 83 2.897 -15.357 -58.018 1.00 0.00 S ATOM 0 H CYS A 83 2.557 -17.043 -59.805 1.00 0.00 H new ATOM 0 HA CYS A 83 3.663 -15.189 -61.632 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.427 -13.688 -59.636 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.966 -14.558 -60.063 1.00 0.00 H new ATOM 0 HG CYS A 83 2.470 -14.445 -57.196 1.00 0.00 H new ATOM 1035 N GLY A 84 5.622 -16.377 -59.279 1.00 0.00 N ATOM 1036 CA GLY A 84 7.003 -16.494 -58.865 1.00 0.00 C ATOM 1037 C GLY A 84 7.381 -15.522 -57.771 1.00 0.00 C ATOM 1038 O GLY A 84 8.492 -14.997 -57.764 1.00 0.00 O ATOM 0 H GLY A 84 4.977 -16.993 -58.784 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.187 -17.511 -58.518 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.649 -16.330 -59.727 1.00 0.00 H new ATOM 1042 N LYS A 85 6.475 -15.280 -56.841 1.00 0.00 N ATOM 1043 CA LYS A 85 6.757 -14.360 -55.748 1.00 0.00 C ATOM 1044 C LYS A 85 7.124 -15.119 -54.457 1.00 0.00 C ATOM 1045 O LYS A 85 7.422 -14.508 -53.432 1.00 0.00 O ATOM 1046 CB LYS A 85 5.575 -13.405 -55.521 1.00 0.00 C ATOM 1047 CG LYS A 85 5.236 -12.518 -56.738 1.00 0.00 C ATOM 1048 CD LYS A 85 6.373 -11.543 -57.104 1.00 0.00 C ATOM 1049 CE LYS A 85 6.646 -10.553 -55.980 1.00 0.00 C ATOM 1050 NZ LYS A 85 5.462 -9.703 -55.676 1.00 0.00 N ATOM 0 H LYS A 85 5.546 -15.701 -56.818 1.00 0.00 H new ATOM 0 HA LYS A 85 7.623 -13.760 -56.028 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.695 -13.991 -55.256 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.799 -12.763 -54.669 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.019 -13.154 -57.596 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.331 -11.949 -56.526 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.280 -12.107 -57.322 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.109 -11.000 -58.012 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.940 -11.097 -55.083 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.487 -9.916 -56.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.748 -8.918 -55.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.072 -9.321 -56.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.738 -10.275 -55.197 1.00 0.00 H new ATOM 1064 N GLY A 86 7.103 -16.457 -54.529 1.00 0.00 N ATOM 1065 CA GLY A 86 7.506 -17.293 -53.388 1.00 0.00 C ATOM 1066 C GLY A 86 6.448 -17.395 -52.301 1.00 0.00 C ATOM 1067 O GLY A 86 6.750 -17.726 -51.155 1.00 0.00 O ATOM 0 H GLY A 86 6.815 -16.980 -55.356 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.742 -18.294 -53.748 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.420 -16.886 -52.956 1.00 0.00 H new ATOM 1071 N CYS A 87 5.221 -17.138 -52.666 1.00 0.00 N ATOM 1072 CA CYS A 87 4.106 -17.147 -51.732 1.00 0.00 C ATOM 1073 C CYS A 87 3.504 -18.541 -51.574 1.00 0.00 C ATOM 1074 O CYS A 87 3.037 -18.901 -50.497 1.00 0.00 O ATOM 1075 CB CYS A 87 3.073 -16.207 -52.256 1.00 0.00 C ATOM 1076 SG CYS A 87 3.006 -16.246 -54.043 1.00 0.00 S ATOM 0 H CYS A 87 4.955 -16.914 -53.625 1.00 0.00 H new ATOM 0 HA CYS A 87 4.460 -16.841 -50.748 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.097 -16.471 -51.847 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.296 -15.194 -51.920 1.00 0.00 H new ATOM 0 HG CYS A 87 1.809 -15.929 -54.439 1.00 0.00 H new ATOM 1081 N THR A 88 3.516 -19.315 -52.660 1.00 0.00 N ATOM 1082 CA THR A 88 2.974 -20.685 -52.681 1.00 0.00 C ATOM 1083 C THR A 88 1.524 -20.774 -52.156 1.00 0.00 C ATOM 1084 O THR A 88 1.154 -21.739 -51.485 1.00 0.00 O ATOM 1085 CB THR A 88 3.889 -21.698 -51.926 1.00 0.00 C ATOM 1086 OG1 THR A 88 4.305 -21.173 -50.655 1.00 0.00 O ATOM 1087 CG2 THR A 88 5.111 -22.040 -52.762 1.00 0.00 C ATOM 0 H THR A 88 3.902 -19.014 -53.555 1.00 0.00 H new ATOM 0 HA THR A 88 2.954 -20.965 -53.734 1.00 0.00 H new ATOM 0 HB THR A 88 3.307 -22.604 -51.755 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.631 -20.543 -50.325 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.737 -22.748 -52.219 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.794 -22.486 -53.705 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.680 -21.132 -52.963 1.00 0.00 H new ATOM 1095 N GLY A 89 0.711 -19.774 -52.482 1.00 0.00 N ATOM 1096 CA GLY A 89 -0.686 -19.796 -52.079 1.00 0.00 C ATOM 1097 C GLY A 89 -1.038 -18.654 -51.158 1.00 0.00 C ATOM 1098 O GLY A 89 -0.148 -17.943 -50.702 1.00 0.00 O ATOM 0 H GLY A 89 0.992 -18.951 -53.016 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.318 -19.751 -52.966 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.903 -20.741 -51.581 1.00 0.00 H new ATOM 1102 N PRO A 90 -2.340 -18.452 -50.849 1.00 0.00 N ATOM 1103 CA PRO A 90 -2.782 -17.356 -49.978 1.00 0.00 C ATOM 1104 C PRO A 90 -2.186 -17.462 -48.579 1.00 0.00 C ATOM 1105 O PRO A 90 -1.845 -16.456 -47.965 1.00 0.00 O ATOM 1106 CB PRO A 90 -4.307 -17.524 -49.929 1.00 0.00 C ATOM 1107 CG PRO A 90 -4.543 -18.946 -50.306 1.00 0.00 C ATOM 1108 CD PRO A 90 -3.483 -19.279 -51.307 1.00 0.00 C ATOM 0 HA PRO A 90 -2.465 -16.383 -50.353 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.697 -17.308 -48.935 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.803 -16.843 -50.621 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.478 -19.598 -49.435 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.538 -19.079 -50.730 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.242 -20.342 -51.305 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.788 -19.024 -52.322 1.00 0.00 H new ATOM 1116 N ASP A 91 -2.026 -18.699 -48.107 1.00 0.00 N ATOM 1117 CA ASP A 91 -1.485 -18.974 -46.770 1.00 0.00 C ATOM 1118 C ASP A 91 -0.189 -18.220 -46.518 1.00 0.00 C ATOM 1119 O ASP A 91 0.016 -17.656 -45.442 1.00 0.00 O ATOM 1120 CB ASP A 91 -1.245 -20.471 -46.593 1.00 0.00 C ATOM 1121 CG ASP A 91 -0.578 -20.804 -45.273 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -1.275 -20.830 -44.238 1.00 0.00 O ATOM 1123 OD2 ASP A 91 0.647 -21.059 -45.266 1.00 0.00 O ATOM 0 H ASP A 91 -2.266 -19.537 -48.636 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.224 -18.631 -46.045 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.197 -20.998 -46.657 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.624 -20.835 -47.411 1.00 0.00 H new ATOM 1128 N SER A 92 0.677 -18.200 -47.508 1.00 0.00 N ATOM 1129 CA SER A 92 1.943 -17.527 -47.371 1.00 0.00 C ATOM 1130 C SER A 92 2.074 -16.370 -48.365 1.00 0.00 C ATOM 1131 O SER A 92 3.181 -15.872 -48.605 1.00 0.00 O ATOM 1132 CB SER A 92 3.087 -18.523 -47.541 1.00 0.00 C ATOM 1133 OG SER A 92 2.974 -19.590 -46.609 1.00 0.00 O ATOM 0 H SER A 92 0.525 -18.643 -48.414 1.00 0.00 H new ATOM 0 HA SER A 92 1.994 -17.101 -46.369 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.081 -18.920 -48.556 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.041 -18.014 -47.403 1.00 0.00 H new ATOM 0 HG SER A 92 3.716 -20.217 -46.738 1.00 0.00 H new ATOM 1139 N CYS A 93 0.950 -15.934 -48.939 1.00 0.00 N ATOM 1140 CA CYS A 93 0.977 -14.799 -49.849 1.00 0.00 C ATOM 1141 C CYS A 93 1.056 -13.519 -49.047 1.00 0.00 C ATOM 1142 O CYS A 93 0.058 -12.838 -48.819 1.00 0.00 O ATOM 1143 CB CYS A 93 -0.241 -14.776 -50.801 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.133 -13.548 -52.160 1.00 0.00 S ATOM 0 H CYS A 93 0.028 -16.344 -48.790 1.00 0.00 H new ATOM 0 HA CYS A 93 1.860 -14.894 -50.481 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.363 -15.768 -51.236 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.138 -14.572 -50.216 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.221 -14.158 -53.304 1.00 0.00 H new ATOM 1149 N LYS A 94 2.253 -13.228 -48.578 1.00 0.00 N ATOM 1150 CA LYS A 94 2.518 -12.030 -47.810 1.00 0.00 C ATOM 1151 C LYS A 94 2.700 -10.855 -48.751 1.00 0.00 C ATOM 1152 O LYS A 94 3.038 -9.747 -48.338 1.00 0.00 O ATOM 1153 CB LYS A 94 3.759 -12.229 -46.940 1.00 0.00 C ATOM 1154 CG LYS A 94 5.004 -12.606 -47.724 1.00 0.00 C ATOM 1155 CD LYS A 94 6.157 -12.933 -46.799 1.00 0.00 C ATOM 1156 CE LYS A 94 7.431 -13.195 -47.582 1.00 0.00 C ATOM 1157 NZ LYS A 94 8.586 -13.463 -46.691 1.00 0.00 N ATOM 0 H LYS A 94 3.072 -13.819 -48.720 1.00 0.00 H new ATOM 0 HA LYS A 94 1.673 -11.824 -47.153 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.954 -11.311 -46.386 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.555 -13.007 -46.205 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.790 -13.465 -48.360 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.285 -11.784 -48.382 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.316 -12.107 -46.106 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.909 -13.809 -46.199 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.280 -14.046 -48.246 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.652 -12.334 -48.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.435 -13.637 -47.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.747 -12.641 -46.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.387 -14.300 -46.107 1.00 0.00 H new ATOM 1171 N CYS A 95 2.470 -11.125 -50.019 1.00 0.00 N ATOM 1172 CA CYS A 95 2.566 -10.142 -51.055 1.00 0.00 C ATOM 1173 C CYS A 95 1.305 -9.290 -51.086 1.00 0.00 C ATOM 1174 O CYS A 95 0.386 -9.482 -50.281 1.00 0.00 O ATOM 1175 CB CYS A 95 2.762 -10.838 -52.399 1.00 0.00 C ATOM 1176 SG CYS A 95 4.118 -12.033 -52.417 1.00 0.00 S ATOM 0 H CYS A 95 2.207 -12.052 -50.355 1.00 0.00 H new ATOM 0 HA CYS A 95 3.419 -9.493 -50.858 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.838 -11.348 -52.670 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.946 -10.084 -53.164 1.00 0.00 H new ATOM 0 HG CYS A 95 3.955 -12.860 -53.407 1.00 0.00 H new ATOM 1181 N ASP A 96 1.261 -8.366 -52.008 1.00 0.00 N ATOM 1182 CA ASP A 96 0.127 -7.480 -52.144 1.00 0.00 C ATOM 1183 C ASP A 96 -0.550 -7.683 -53.503 1.00 0.00 C ATOM 1184 O ASP A 96 -0.469 -8.770 -54.101 1.00 0.00 O ATOM 1185 CB ASP A 96 0.586 -6.019 -51.973 1.00 0.00 C ATOM 1186 CG ASP A 96 1.613 -5.601 -53.008 1.00 0.00 C ATOM 1187 OD1 ASP A 96 2.824 -5.785 -52.758 1.00 0.00 O ATOM 1188 OD2 ASP A 96 1.216 -5.102 -54.074 1.00 0.00 O ATOM 0 H ASP A 96 2.006 -8.203 -52.686 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.602 -7.711 -51.367 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.280 -5.361 -52.041 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.008 -5.890 -50.976 1.00 0.00 H new ATOM 1193 N ARG A 97 -1.208 -6.640 -53.979 1.00 0.00 N ATOM 1194 CA ARG A 97 -1.919 -6.650 -55.249 1.00 0.00 C ATOM 1195 C ARG A 97 -0.963 -6.783 -56.454 1.00 0.00 C ATOM 1196 O ARG A 97 -1.401 -6.966 -57.587 1.00 0.00 O ATOM 1197 CB ARG A 97 -2.771 -5.383 -55.360 1.00 0.00 C ATOM 1198 CG ARG A 97 -2.002 -4.102 -55.113 1.00 0.00 C ATOM 1199 CD ARG A 97 -2.941 -2.936 -54.874 1.00 0.00 C ATOM 1200 NE ARG A 97 -3.566 -2.456 -56.107 1.00 0.00 N ATOM 1201 CZ ARG A 97 -4.409 -1.420 -56.171 1.00 0.00 C ATOM 1202 NH1 ARG A 97 -4.798 -0.802 -55.063 1.00 0.00 N ATOM 1203 NH2 ARG A 97 -4.871 -1.014 -57.341 1.00 0.00 N ATOM 0 H ARG A 97 -1.265 -5.748 -53.488 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.565 -7.527 -55.272 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.216 -5.342 -56.354 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.592 -5.446 -54.646 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.348 -4.228 -54.250 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.363 -3.888 -55.969 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.717 -3.238 -54.171 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.389 -2.119 -54.409 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.344 -2.944 -56.975 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.454 -1.117 -54.156 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.441 -0.012 -55.118 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.585 -1.491 -58.196 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.514 -0.224 -57.389 1.00 0.00 H new ATOM 1217 N SER A 98 0.333 -6.712 -56.193 1.00 0.00 N ATOM 1218 CA SER A 98 1.356 -6.824 -57.226 1.00 0.00 C ATOM 1219 C SER A 98 1.672 -8.300 -57.530 1.00 0.00 C ATOM 1220 O SER A 98 2.826 -8.739 -57.456 1.00 0.00 O ATOM 1221 CB SER A 98 2.624 -6.079 -56.784 1.00 0.00 C ATOM 1222 OG SER A 98 3.601 -6.052 -57.810 1.00 0.00 O ATOM 0 H SER A 98 0.709 -6.574 -55.255 1.00 0.00 H new ATOM 0 HA SER A 98 0.978 -6.369 -58.142 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.366 -5.059 -56.500 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.039 -6.561 -55.899 1.00 0.00 H new ATOM 0 HG SER A 98 3.854 -6.969 -58.045 1.00 0.00 H new ATOM 1228 N CYS A 99 0.641 -9.049 -57.856 1.00 0.00 N ATOM 1229 CA CYS A 99 0.777 -10.459 -58.214 1.00 0.00 C ATOM 1230 C CYS A 99 -0.057 -10.764 -59.451 1.00 0.00 C ATOM 1231 O CYS A 99 -1.191 -10.300 -59.568 1.00 0.00 O ATOM 1232 CB CYS A 99 0.315 -11.356 -57.060 1.00 0.00 C ATOM 1233 SG CYS A 99 1.624 -12.287 -56.224 1.00 0.00 S ATOM 0 H CYS A 99 -0.319 -8.705 -57.883 1.00 0.00 H new ATOM 0 HA CYS A 99 1.828 -10.659 -58.421 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -0.194 -10.736 -56.322 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.421 -12.063 -57.444 1.00 0.00 H new ATOM 0 HG CYS A 99 1.106 -13.002 -55.270 1.00 0.00 H new ATOM 1238 N SER A 100 0.496 -11.557 -60.359 1.00 0.00 N ATOM 1239 CA SER A 100 -0.205 -11.931 -61.587 1.00 0.00 C ATOM 1240 C SER A 100 -1.358 -12.896 -61.298 1.00 0.00 C ATOM 1241 O SER A 100 -2.145 -13.232 -62.182 1.00 0.00 O ATOM 1242 CB SER A 100 0.772 -12.551 -62.588 1.00 0.00 C ATOM 1243 OG SER A 100 1.832 -11.651 -62.883 1.00 0.00 O ATOM 0 H SER A 100 1.430 -11.956 -60.271 1.00 0.00 H new ATOM 0 HA SER A 100 -0.629 -11.025 -62.021 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.178 -13.477 -62.181 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.244 -12.811 -63.505 1.00 0.00 H new ATOM 0 HG SER A 100 2.446 -12.067 -63.523 1.00 0.00 H new ATOM 1249 N CYS A 101 -1.445 -13.337 -60.058 1.00 0.00 N ATOM 1250 CA CYS A 101 -2.501 -14.228 -59.636 1.00 0.00 C ATOM 1251 C CYS A 101 -3.665 -13.477 -59.047 1.00 0.00 C ATOM 1252 O CYS A 101 -4.618 -14.078 -58.547 1.00 0.00 O ATOM 1253 CB CYS A 101 -1.972 -15.232 -58.645 1.00 0.00 C ATOM 1254 SG CYS A 101 -1.225 -16.642 -59.423 1.00 0.00 S ATOM 0 H CYS A 101 -0.787 -13.087 -59.320 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.862 -14.753 -60.520 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -1.238 -14.747 -58.001 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -2.787 -15.567 -58.004 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.791 -17.461 -58.512 1.00 0.00 H new ATOM 1259 N LYS A 102 -3.601 -12.169 -59.098 1.00 0.00 N ATOM 1260 CA LYS A 102 -4.676 -11.371 -58.589 1.00 0.00 C ATOM 1261 C LYS A 102 -5.608 -10.987 -59.730 1.00 0.00 C ATOM 1262 O LYS A 102 -5.070 -10.578 -60.800 1.00 0.00 O ATOM 1263 CB LYS A 102 -4.161 -10.113 -57.874 1.00 0.00 C ATOM 1264 CG LYS A 102 -3.125 -10.379 -56.775 1.00 0.00 C ATOM 1265 CD LYS A 102 -3.583 -11.491 -55.860 1.00 0.00 C ATOM 1266 CE LYS A 102 -2.946 -11.421 -54.456 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.472 -11.656 -54.458 1.00 0.00 N ATOM 0 H LYS A 102 -2.818 -11.642 -59.485 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.221 -11.963 -57.853 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.721 -9.445 -58.615 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.010 -9.588 -57.435 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.169 -10.645 -57.227 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -2.962 -9.470 -56.196 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.668 -11.450 -55.763 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.340 -12.451 -56.315 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.149 -10.442 -54.022 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.423 -12.160 -53.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.201 -12.167 -53.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.212 -12.222 -55.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.975 -10.743 -54.490 1.00 0.00 H new